#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nz4 s PRO 8 N 0.00 4.14 0.09 0.00 0.02 -1.26 -4.78 135.00 133.21 2nz4 s PRO 8 Ca 0.00 2.53 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 2nz4 s PRO 8 Cb 0.00 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 2nz4 s PRO 8 CO 0.00 -0.55 0.16 1.21 -0.33 0.00 0.00 177.00 177.49 2nz4 s ASN 9 N 0.20 0.17 0.10 2.53 2.47 -1.26 -5.05 114.94 114.09 2nz4 s ASN 9 Ca 0.58 -0.74 -0.21 0.00 0.42 0.00 0.00 52.86 52.91 2nz4 s ASN 9 Cb -0.46 0.33 -0.11 0.00 -1.45 0.00 0.00 41.25 39.55 2nz4 s ASN 9 CO 0.53 -0.73 1.71 0.45 -3.72 0.00 0.00 177.10 175.34 2nz4 h HIS 10 N 2.79 0.15 -3.17 0.43 3.86 -1.91 -3.43 115.15 113.87 2nz4 h HIS 10 Ca -0.34 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.27 2nz4 h HIS 10 Cb 1.19 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.54 2nz4 h HIS 10 CO 0.44 0.16 -0.23 0.99 0.86 0.00 0.00 177.93 180.15 2nz4 s THR 11 N -5.95 5.17 -0.02 2.45 2.01 -1.26 -3.35 115.64 114.69 2nz4 s THR 11 Ca -0.13 0.77 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 2nz4 s THR 11 Cb 0.07 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2nz4 s THR 11 CO 0.68 0.45 0.33 0.27 -0.69 0.00 0.00 174.62 175.66 2nz4 s ILE 12 N -0.14 5.17 -0.70 1.82 -4.36 -0.81 -0.20 121.20 121.98 2nz4 s ILE 12 Ca 0.22 0.60 -0.16 0.00 -0.26 0.00 0.00 60.65 61.05 2nz4 s ILE 12 Cb -0.15 -3.62 0.16 0.00 1.25 0.00 0.00 42.46 40.10 2nz4 s ILE 12 CO 0.09 0.55 0.70 -0.47 0.24 0.00 0.00 174.94 176.06 2nz4 s TYR 13 N -1.11 3.40 -0.39 1.37 5.04 0.81 -2.04 117.35 124.43 2nz4 s TYR 13 Ca 0.23 -1.52 -0.25 0.00 -2.44 0.00 0.00 57.07 53.08 2nz4 s TYR 13 Cb -0.15 -3.89 0.02 0.00 0.35 0.00 0.00 41.96 38.28 2nz4 s TYR 13 CO 0.12 -1.10 0.89 0.42 -1.34 0.00 0.00 175.55 174.54 2nz4 s ILE 14 N 1.32 4.59 0.02 3.14 1.01 0.63 -1.65 121.20 130.25 2nz4 s ILE 14 Ca 0.13 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2nz4 s ILE 14 Cb -0.19 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2nz4 s ILE 14 CO -0.02 -0.58 0.01 -0.46 0.00 0.00 0.00 174.94 173.89 2nz4 n ASN 15 N 6.78 1.17 -3.43 3.58 6.94 -0.05 0.68 115.26 130.93 2nz4 n ASN 15 Ca 0.06 -1.06 -0.25 0.00 -0.02 0.00 0.00 54.58 53.31 2nz4 n ASN 15 Cb 0.48 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.94 2nz4 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2nz4 n ASN 16 N -1.88 -5.66 -4.90 0.53 5.15 -1.06 -1.38 115.26 106.05 2nz4 n ASN 16 Ca -0.00 -0.48 -0.31 0.00 -0.60 0.00 0.00 54.58 53.19 2nz4 n ASN 16 Cb 0.02 -4.53 -0.04 0.00 -0.53 0.00 0.00 39.78 34.70 2nz4 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nz4 s LEU 17 N -6.99 4.26 -0.04 1.20 1.43 -1.03 -4.37 118.68 113.13 2nz4 s LEU 17 Ca 0.48 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 2nz4 s LEU 17 Cb -0.23 -3.27 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2nz4 s LEU 17 CO 0.60 0.03 1.74 0.21 0.23 0.00 0.00 176.35 179.16 2nz4 s ASN 18 N -2.61 6.58 0.00 2.29 3.84 -1.26 -4.49 114.94 119.29 2nz4 s ASN 18 Ca 0.40 2.32 0.29 0.00 0.21 0.00 0.00 52.86 56.08 2nz4 s ASN 18 Cb -0.12 -2.53 1.46 0.00 -0.55 0.00 0.00 41.25 39.50 2nz4 s ASN 18 CO 0.26 -0.99 2.01 -0.62 -2.79 0.00 0.00 177.10 174.97 2nz4 n GLU 19 N 7.28 0.38 0.00 0.43 1.02 -1.26 -3.01 120.64 125.49 2nz4 n GLU 19 Ca 0.18 0.01 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 2nz4 n GLU 19 Cb 0.42 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.88 2nz4 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nz4 n LYS 20 N -1.30 0.97 -3.34 3.49 4.01 -1.26 -4.93 118.16 115.80 2nz4 n LYS 20 Ca 0.13 -0.46 -0.33 0.00 -0.51 0.00 0.00 58.31 57.14 2nz4 n LYS 20 Cb 0.24 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.22 2nz4 n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2nz4 s ILE 21 N -2.35 4.85 0.47 -0.18 -1.09 -1.16 -5.07 121.20 116.67 2nz4 s ILE 21 Ca 0.31 0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 59.25 2nz4 s ILE 21 Cb 0.20 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 2nz4 s ILE 21 CO 0.45 0.02 0.94 -0.54 -1.23 0.00 0.00 174.94 174.58 2nz4 s LYS 22 N -2.53 4.02 0.17 2.79 1.02 -1.26 -4.87 119.74 119.07 2nz4 s LYS 22 Ca 0.45 0.94 -0.16 0.00 0.02 0.00 0.00 55.97 57.23 2nz4 s LYS 22 Cb -0.12 -2.19 0.11 0.00 -0.52 0.00 0.00 37.83 35.10 2nz4 s LYS 22 CO 0.20 -0.15 1.70 -0.22 -0.92 0.00 0.00 175.35 175.97 2nz4 h LYS 23 N 1.34 0.12 -0.20 1.68 3.64 -1.97 0.16 116.57 121.34 2nz4 h LYS 23 Ca -0.48 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 58.69 2nz4 h LYS 23 Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2nz4 h LYS 23 CO 0.62 0.08 -0.67 0.22 -2.27 0.00 0.00 179.45 177.42 2nz4 h ASP 24 N 0.13 0.91 0.16 4.20 3.58 -1.97 -1.49 116.42 121.94 2nz4 h ASP 24 Ca 0.19 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 2nz4 h ASP 24 Cb 0.27 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2nz4 h ASP 24 CO -0.31 1.34 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.23 2nz4 h GLU 25 N 0.57 -0.21 0.00 0.28 4.81 -1.92 -1.62 114.58 116.49 2nz4 h GLU 25 Ca -0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2nz4 h GLU 25 Cb 1.29 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 2nz4 h GLU 25 CO 0.14 0.06 -0.04 1.25 -0.73 0.00 0.00 179.01 179.68 2nz4 h LEU 26 N -0.47 0.00 0.03 1.64 5.85 -0.63 0.23 115.31 121.96 2nz4 h LEU 26 Ca -0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 2nz4 h LEU 26 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2nz4 h LEU 26 CO 0.04 0.04 -1.61 0.07 -0.34 0.00 0.00 178.44 176.64 2nz4 h LYS 27 N 0.00 0.07 -0.16 1.25 2.10 -1.23 -2.69 116.57 115.91 2nz4 h LYS 27 Ca -0.00 -0.12 -0.08 0.00 -2.00 0.00 0.00 60.65 58.45 2nz4 h LYS 27 Cb 0.10 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2nz4 h LYS 27 CO 0.01 0.75 -0.22 0.87 -2.00 0.00 0.00 179.45 178.85 2nz4 h LYS 28 N 0.02 0.43 -0.38 0.07 1.57 -0.65 -0.90 116.57 116.73 2nz4 h LYS 28 Ca -0.25 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 2nz4 h LYS 28 Cb 1.98 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.27 2nz4 h LYS 28 CO 0.10 0.84 0.16 0.77 -0.57 0.00 0.00 179.45 180.75 2nz4 h SER 29 N 0.06 0.22 0.06 0.86 0.02 -0.70 0.77 113.55 114.84 2nz4 h SER 29 Ca 0.02 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2nz4 h SER 29 Cb 0.79 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2nz4 h SER 29 CO 0.05 0.17 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.72 2nz4 h LEU 30 N 0.34 -0.33 -0.73 5.07 3.38 -1.53 -2.40 115.31 119.12 2nz4 h LEU 30 Ca 0.16 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2nz4 h LEU 30 Cb 0.10 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2nz4 h LEU 30 CO -0.14 -0.18 0.26 -0.74 0.09 0.00 0.00 178.44 177.73 2nz4 h HIS 31 N -0.23 0.43 -0.66 1.13 2.76 -0.58 0.78 115.15 118.78 2nz4 h HIS 31 Ca 0.02 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2nz4 h HIS 31 Cb 0.25 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.07 2nz4 h HIS 31 CO -0.15 0.03 0.32 0.00 -1.30 0.00 0.00 177.93 176.83 2nz4 h ALA 32 N 1.55 0.89 0.37 5.26 0.00 -0.57 -1.81 119.26 124.94 2nz4 h ALA 32 Ca 0.40 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2nz4 h ALA 32 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2nz4 h ALA 32 CO -0.42 -0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.41 2nz4 h ILE 33 N 0.57 0.64 -0.01 0.00 2.04 -0.41 -3.35 117.51 116.99 2nz4 h ILE 33 Ca 0.32 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2nz4 h ILE 33 Cb 0.31 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2nz4 h ILE 33 CO -0.24 0.02 -0.12 0.49 0.00 0.00 0.00 178.15 178.29 2nz4 n PHE 34 N -5.28 0.00 -0.18 1.37 3.72 -0.36 -4.16 117.46 112.57 2nz4 n PHE 34 Ca -0.11 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2nz4 n PHE 34 Cb 0.23 -0.06 0.31 0.00 -0.94 0.00 0.00 39.48 39.02 2nz4 n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2nz4 h SER 35 N 1.90 0.74 0.01 4.37 0.02 -1.47 -2.92 113.55 116.20 2nz4 h SER 35 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2nz4 h SER 35 Cb 0.52 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2nz4 h SER 35 CO 0.00 0.52 -0.00 0.08 -1.14 0.00 0.00 176.83 176.29 2nz4 h ARG 36 N 0.87 0.00 0.10 3.45 0.11 -1.84 -2.71 114.38 114.35 2nz4 h ARG 36 Ca 0.27 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.06 2nz4 h ARG 36 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2nz4 h ARG 36 CO -0.07 0.00 -1.47 0.74 0.10 0.00 0.00 179.97 179.27 2nz4 h PHE 37 N 0.00 0.39 0.00 4.08 0.04 -1.83 -3.50 116.94 116.12 2nz4 h PHE 37 Ca -0.00 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.48 2nz4 h PHE 37 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2nz4 h PHE 37 CO 0.00 1.32 0.00 0.41 -0.60 0.00 0.00 178.31 179.44 2nz4 n GLY 38 N 1.62 -1.64 3.73 -1.45 0.00 -1.02 -4.66 105.19 101.77 2nz4 n GLY 38 Ca -0.14 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2nz4 n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2nz4 s GLN 39 N -1.66 4.16 -0.22 1.61 0.74 -1.26 -4.66 119.66 118.37 2nz4 s GLN 39 Ca 0.00 2.51 -0.08 0.00 0.05 0.00 0.00 55.36 57.84 2nz4 s GLN 39 Cb 0.00 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 2nz4 s GLN 39 CO 0.00 -0.64 0.08 0.42 -0.55 0.00 0.00 175.29 174.60 2nz4 s ILE 40 N 0.60 4.61 -0.10 -2.34 1.01 -1.26 -2.11 121.20 121.60 2nz4 s ILE 40 Ca 0.68 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.06 2nz4 s ILE 40 Cb -0.47 -3.12 -0.27 0.00 0.01 0.00 0.00 42.46 38.61 2nz4 s ILE 40 CO 0.39 0.38 0.62 -0.07 0.00 0.00 0.00 174.94 176.27 2nz4 h LEU 41 N 7.55 0.34 -7.11 2.97 3.38 -1.50 -3.48 115.31 117.45 2nz4 h LEU 41 Ca -0.37 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 56.70 2nz4 h LEU 41 Cb 1.17 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2nz4 h LEU 41 CO 0.63 1.50 0.12 -0.62 0.09 0.00 0.00 178.44 180.16 2nz4 s ASP 42 N -6.94 -0.50 -0.17 -0.43 -1.08 -1.25 -5.05 116.67 101.25 2nz4 s ASP 42 Ca -0.19 0.12 0.01 0.00 -0.52 0.00 0.00 52.55 51.98 2nz4 s ASP 42 Cb 0.03 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 42.05 2nz4 s ASP 42 CO 0.76 -0.83 -0.20 -0.63 0.52 0.00 0.00 175.17 174.79 2nz4 s ILE 43 N -2.97 2.04 -0.08 4.11 1.01 -1.26 -2.02 121.20 122.03 2nz4 s ILE 43 Ca -0.02 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 2nz4 s ILE 43 Cb -0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2nz4 s ILE 43 CO -0.06 0.54 0.28 -0.76 0.00 0.00 0.00 174.94 174.94 2nz4 s LEU 44 N 1.22 4.39 -0.18 2.97 2.01 -0.64 -4.98 118.68 123.47 2nz4 s LEU 44 Ca 0.03 0.67 -0.10 0.00 0.01 0.00 0.00 54.13 54.75 2nz4 s LEU 44 Cb -0.13 -2.34 0.06 0.00 0.01 0.00 0.00 46.19 43.79 2nz4 s LEU 44 CO -0.11 0.31 0.43 -0.69 1.01 0.00 0.00 176.35 177.30 2nz4 s VAL 45 N -0.72 -0.07 0.10 -1.59 1.01 -1.26 -2.42 120.40 115.45 2nz4 s VAL 45 Ca 0.19 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.33 2nz4 s VAL 45 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2nz4 s VAL 45 CO 0.08 0.04 -0.17 -0.55 0.00 0.00 0.00 175.10 174.49 2nz4 s SER 46 N 1.51 2.17 -0.15 3.32 0.15 -1.26 -5.01 113.70 114.43 2nz4 s SER 46 Ca -0.09 -0.70 0.15 0.00 0.70 0.00 0.00 55.95 56.01 2nz4 s SER 46 Cb -0.08 -0.10 0.56 0.00 -1.71 0.00 0.00 66.02 64.69 2nz4 s SER 46 CO -0.13 -0.03 1.47 -1.14 1.20 0.00 0.00 173.24 174.60 2nz4 n ARG 47 N 0.96 3.31 -1.65 5.44 3.00 -1.26 -3.71 116.66 122.75 2nz4 n ARG 47 Ca -0.19 -2.77 -0.32 0.00 -0.00 0.00 0.00 57.85 54.58 2nz4 n ARG 47 Cb 0.55 -1.82 0.05 0.00 0.00 0.00 0.00 32.46 31.23 2nz4 n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2nz4 s SER 48 N -1.49 5.32 0.27 6.15 1.04 -1.26 -4.62 113.70 119.11 2nz4 s SER 48 Ca 0.42 1.73 -0.02 0.00 0.48 0.00 0.00 55.95 58.55 2nz4 s SER 48 Cb 0.31 -2.51 0.58 0.00 0.10 0.00 0.00 66.02 64.50 2nz4 s SER 48 CO 0.13 -1.48 1.64 0.25 0.98 0.00 0.00 173.24 174.76 2nz4 h LEU 49 N -0.44 -0.19 0.11 2.42 5.85 -1.96 0.33 115.31 121.43 2nz4 h LEU 49 Ca -0.45 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2nz4 h LEU 49 Cb 1.22 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2nz4 h LEU 49 CO 0.56 -0.17 -0.05 0.11 -0.34 0.00 0.00 178.44 178.54 2nz4 h LYS 50 N 0.15 -0.15 -0.06 1.25 1.79 -1.98 -3.36 116.57 114.22 2nz4 h LYS 50 Ca 0.49 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2nz4 h LYS 50 Cb 0.93 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2nz4 h LYS 50 CO -0.67 0.35 0.00 -1.33 -1.08 0.00 0.00 179.45 176.71 2nz4 n MET 51 N -4.88 1.74 -2.07 3.15 2.81 -0.89 -4.93 117.12 112.05 2nz4 n MET 51 Ca -0.08 -1.08 -0.42 0.00 -1.81 0.00 0.00 57.70 54.31 2nz4 n MET 51 Cb 0.28 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 2nz4 n MET 51 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2nz4 s ARG 52 N -1.94 4.29 0.00 0.03 3.52 0.11 -2.96 118.95 122.00 2nz4 s ARG 52 Ca 0.36 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 2nz4 s ARG 52 Cb 0.20 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2nz4 s ARG 52 CO 0.32 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2nz4 n GLY 53 N 2.69 0.50 3.26 8.12 0.00 -1.26 -5.00 105.19 113.49 2nz4 n GLY 53 Ca 0.08 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 2nz4 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nz4 s GLN 54 N -2.52 1.21 -0.16 1.61 -0.21 -1.16 -2.45 119.66 115.98 2nz4 s GLN 54 Ca 0.00 -1.61 -0.29 0.00 0.02 0.00 0.00 55.36 53.48 2nz4 s GLN 54 Cb 0.00 -0.26 0.10 0.00 1.00 0.00 0.00 33.01 33.86 2nz4 s GLN 54 CO 0.00 -0.19 0.88 0.00 -2.12 0.00 0.00 175.29 173.86 2nz4 s ALA 55 N -3.70 -1.87 -0.21 6.09 0.00 0.21 -4.60 121.76 117.69 2nz4 s ALA 55 Ca 0.29 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.87 2nz4 s ALA 55 Cb 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2nz4 s ALA 55 CO 0.07 -0.32 -0.14 -0.06 0.00 0.00 0.00 175.76 175.31 2nz4 s PHE 56 N -0.74 2.88 -0.39 0.00 0.40 -1.01 -0.27 117.98 118.85 2nz4 s PHE 56 Ca -0.04 -1.89 -0.12 0.00 -0.60 0.00 0.00 56.93 54.28 2nz4 s PHE 56 Cb -0.02 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.68 2nz4 s PHE 56 CO 0.03 -0.82 0.24 0.08 0.70 0.00 0.00 175.22 175.44 2nz4 s VAL 57 N 1.24 4.73 -0.34 -0.44 1.01 -0.87 -1.63 120.40 124.11 2nz4 s VAL 57 Ca -0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2nz4 s VAL 57 Cb -0.16 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2nz4 s VAL 57 CO -0.09 -0.29 1.06 -0.63 0.00 0.00 0.00 175.10 175.15 2nz4 s ILE 58 N 1.58 4.50 0.16 2.22 1.01 -0.85 -1.92 121.20 127.88 2nz4 s ILE 58 Ca 0.03 1.62 -0.04 0.00 0.00 0.00 0.00 60.65 62.26 2nz4 s ILE 58 Cb -0.20 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.80 2nz4 s ILE 58 CO 0.07 -0.53 0.39 -0.36 0.00 0.00 0.00 174.94 174.51 2nz4 s PHE 59 N 3.69 3.47 0.35 3.97 0.08 -1.21 -1.25 117.98 127.08 2nz4 s PHE 59 Ca 0.45 0.54 0.13 0.00 0.12 0.00 0.00 56.93 58.16 2nz4 s PHE 59 Cb -0.12 -2.00 0.66 0.00 -0.57 0.00 0.00 43.02 41.00 2nz4 s PHE 59 CO 0.17 0.41 1.79 -0.22 -0.10 0.00 0.00 175.22 177.27 2nz4 h LYS 60 N 2.67 0.00 -5.10 0.44 3.11 -1.78 -3.43 116.57 112.49 2nz4 h LYS 60 Ca -0.46 0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 56.72 2nz4 h LYS 60 Cb 1.17 0.00 -0.34 0.00 -1.00 0.00 0.00 32.23 32.05 2nz4 h LYS 60 CO 0.72 0.42 -0.86 -1.21 -2.81 0.00 0.00 179.45 175.70 2nz4 s GLU 61 N -4.06 2.91 0.24 1.90 0.41 -1.26 -5.01 118.70 113.82 2nz4 s GLU 61 Ca -0.02 -0.81 -0.08 0.00 -0.41 0.00 0.00 54.97 53.65 2nz4 s GLU 61 Cb 0.14 -2.41 0.39 0.00 -1.78 0.00 0.00 34.13 30.47 2nz4 s GLU 61 CO 0.73 -0.08 1.64 -0.39 -0.49 0.00 0.00 175.26 176.66 2nz4 h VAL 62 N 5.88 0.36 -0.76 2.63 -1.51 -1.86 -2.12 116.25 118.87 2nz4 h VAL 62 Ca -0.36 -0.03 0.14 0.00 -1.23 0.00 0.00 66.70 65.22 2nz4 h VAL 62 Cb 1.17 0.26 -0.14 0.00 -2.13 0.00 0.00 31.29 30.46 2nz4 h VAL 62 CO 0.57 0.02 -0.22 -0.24 -1.23 0.00 0.00 177.57 176.47 2nz4 n SER 63 N -5.35 -0.34 0.09 4.19 2.88 -1.26 -0.79 113.62 113.04 2nz4 n SER 63 Ca 0.12 1.32 -0.09 0.00 -1.33 0.00 0.00 58.87 58.89 2nz4 n SER 63 Cb 0.44 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 2nz4 n SER 63 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2nz4 h SER 64 N 0.00 0.22 0.31 -3.46 4.64 -1.65 -3.10 113.55 110.51 2nz4 h SER 64 Ca 0.34 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2nz4 h SER 64 Cb 0.53 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2nz4 h SER 64 CO -0.78 1.02 -0.20 0.00 -0.87 0.00 0.00 176.83 176.00 2nz4 h ALA 65 N 0.97 1.46 -0.09 5.18 0.00 -0.77 0.19 119.26 126.19 2nz4 h ALA 65 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2nz4 h ALA 65 Cb 1.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2nz4 h ALA 65 CO 0.14 0.25 -0.04 1.15 0.00 0.00 0.00 179.25 180.74 2nz4 h THR 66 N 0.00 1.32 -0.52 0.00 2.02 -1.19 -2.22 112.91 112.33 2nz4 h THR 66 Ca -0.00 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 2nz4 h THR 66 Cb 0.40 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2nz4 h THR 66 CO 0.03 0.29 0.10 0.78 0.37 0.00 0.00 175.52 177.09 2nz4 h ASN 67 N -0.18 0.75 0.20 4.18 4.21 -1.36 -0.15 115.58 123.24 2nz4 h ASN 67 Ca 0.02 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2nz4 h ASN 67 Cb 0.49 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.46 2nz4 h ASN 67 CO 0.01 0.76 -0.40 0.00 -1.29 0.00 0.00 177.43 176.51 2nz4 h ALA 68 N 1.34 -0.96 -0.27 -0.83 0.00 -0.66 0.21 119.26 118.08 2nz4 h ALA 68 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nz4 h ALA 68 Cb 0.33 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2nz4 h ALA 68 CO 0.00 -1.03 0.18 1.25 0.00 0.00 0.00 179.25 179.66 2nz4 h LEU 69 N -0.65 0.19 -0.23 0.00 6.46 -1.10 0.16 115.31 120.13 2nz4 h LEU 69 Ca -0.02 -0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.53 2nz4 h LEU 69 Cb 0.62 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2nz4 h LEU 69 CO -0.16 0.13 -0.92 0.03 -0.62 0.00 0.00 178.44 176.91 2nz4 h ARG 70 N 0.22 0.20 0.03 1.25 3.08 -0.83 -3.29 114.38 115.04 2nz4 h ARG 70 Ca 0.12 -0.23 -0.38 0.00 0.07 0.00 0.00 59.98 59.55 2nz4 h ARG 70 Cb 0.19 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 2nz4 h ARG 70 CO -0.02 0.98 -2.35 0.43 -1.07 0.00 0.00 179.97 177.95 2nz4 n SER 71 N -3.64 2.02 -1.22 7.04 7.64 0.04 -4.50 113.62 121.01 2nz4 n SER 71 Ca -0.04 -0.04 0.09 0.00 1.01 0.00 0.00 58.87 59.89 2nz4 n SER 71 Cb 0.83 -0.54 0.28 0.00 -1.01 0.00 0.00 64.21 63.77 2nz4 n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2nz4 n MET 72 N -3.34 2.77 -1.97 1.43 2.81 0.49 -4.80 117.12 114.52 2nz4 n MET 72 Ca -0.42 -2.25 -0.42 0.00 -1.81 0.00 0.00 57.70 52.80 2nz4 n MET 72 Cb 1.00 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.88 2nz4 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2nz4 s GLN 73 N -1.46 4.19 -0.24 0.03 2.00 -1.24 -1.80 119.66 121.15 2nz4 s GLN 73 Ca 0.41 2.26 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2nz4 s GLN 73 Cb 0.24 -3.81 0.00 0.00 0.80 0.00 0.00 33.01 30.24 2nz4 s GLN 73 CO 0.24 -0.79 0.00 0.41 -0.50 0.00 0.00 175.29 174.66 2nz4 n GLY 74 N 4.06 0.50 3.63 2.59 0.00 0.81 -4.96 105.19 111.82 2nz4 n GLY 74 Ca 0.17 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2nz4 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nz4 s PHE 75 N -1.80 1.77 0.11 1.61 2.19 -0.74 -4.30 117.98 116.82 2nz4 s PHE 75 Ca 0.00 0.39 -0.33 0.00 0.33 0.00 0.00 56.93 57.32 2nz4 s PHE 75 Cb 0.00 -4.03 -0.12 0.00 -1.31 0.00 0.00 43.02 37.56 2nz4 s PHE 75 CO 0.00 -3.58 1.75 -2.30 1.83 0.00 0.00 175.22 172.92 2nz4 n PRO 76 N 7.91 2.49 -3.46 10.12 -0.02 -1.26 -2.35 135.00 148.43 2nz4 n PRO 76 Ca 0.21 0.90 -0.06 0.00 -2.02 0.00 0.00 63.50 62.54 2nz4 n PRO 76 Cb 0.45 -2.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 2nz4 n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2nz4 s PHE 77 N 2.20 -1.02 -1.36 6.00 5.36 0.22 -4.84 117.98 124.55 2nz4 s PHE 77 Ca 0.82 1.43 -0.04 0.00 -0.96 0.00 0.00 56.93 58.18 2nz4 s PHE 77 Cb -0.58 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.44 2nz4 s PHE 77 CO 0.39 -0.66 0.79 0.66 -1.46 0.00 0.00 175.22 174.94 2nz4 n TYR 78 N 5.40 -2.04 -1.24 10.12 4.01 -1.26 -2.11 117.16 130.04 2nz4 n TYR 78 Ca -0.06 0.86 -0.08 0.00 -0.16 0.00 0.00 57.90 58.46 2nz4 n TYR 78 Cb 0.50 -4.33 -0.04 0.00 -0.31 0.00 0.00 39.34 35.16 2nz4 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2nz4 n ASP 79 N -3.01 -5.19 -3.90 7.72 8.00 -1.26 -4.75 116.55 114.17 2nz4 n ASP 79 Ca -0.21 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 2nz4 n ASP 79 Cb 0.64 -3.41 -0.15 0.00 -0.02 0.00 0.00 41.12 38.17 2nz4 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2nz4 s LYS 80 N -2.49 0.42 -0.34 -1.24 1.02 -0.90 -5.11 119.74 111.11 2nz4 s LYS 80 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 2nz4 s LYS 80 Cb 0.00 -0.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.85 2nz4 s LYS 80 CO 0.00 -0.00 1.26 -1.25 -0.92 0.00 0.00 175.35 174.44 2nz4 s PRO 81 N 0.39 3.88 0.32 -1.68 0.04 -1.26 -0.61 135.00 136.07 2nz4 s PRO 81 Ca -0.04 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 2nz4 s PRO 81 Cb -0.07 -3.88 -0.13 0.00 0.04 0.00 0.00 34.50 30.46 2nz4 s PRO 81 CO -0.01 -1.17 1.26 -1.33 0.04 0.00 0.00 177.00 175.80 2nz4 n MET 82 N 7.39 1.98 -3.91 4.56 2.81 -0.99 -4.70 117.12 124.26 2nz4 n MET 82 Ca 0.14 0.70 -0.36 0.00 -1.81 0.00 0.00 57.70 56.37 2nz4 n MET 82 Cb 0.47 -2.25 -0.06 0.00 -0.71 0.00 0.00 33.22 30.67 2nz4 n MET 82 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2nz4 s ARG 83 N -1.58 3.41 -0.03 0.03 3.52 -0.48 -0.13 118.95 123.68 2nz4 s ARG 83 Ca 0.58 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 2nz4 s ARG 83 Cb -0.60 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 2nz4 s ARG 83 CO 0.60 0.74 -0.06 0.42 -0.81 0.00 0.00 175.30 176.19 2nz4 s ILE 84 N -1.11 0.58 0.37 4.11 1.01 -1.26 -0.87 121.20 124.03 2nz4 s ILE 84 Ca 0.19 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2nz4 s ILE 84 Cb -0.12 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2nz4 s ILE 84 CO 0.09 0.21 0.13 -1.10 0.00 0.00 0.00 174.94 174.27 2nz4 s GLN 85 N 0.51 1.80 0.24 2.79 -0.21 -0.66 -4.98 119.66 119.15 2nz4 s GLN 85 Ca -0.07 -2.07 -0.22 0.00 0.02 0.00 0.00 55.36 53.02 2nz4 s GLN 85 Cb -0.11 -0.47 -0.09 0.00 1.00 0.00 0.00 33.01 33.35 2nz4 s GLN 85 CO 0.00 -0.44 0.78 0.71 -2.12 0.00 0.00 175.29 174.22 2nz4 s TYR 86 N -3.33 3.69 0.58 0.91 2.02 -1.26 -0.13 117.35 119.82 2nz4 s TYR 86 Ca 0.29 1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 58.29 2nz4 s TYR 86 Cb 0.04 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 2nz4 s TYR 86 CO 0.16 0.33 1.34 0.00 -1.57 0.00 0.00 175.55 175.80 2nz4 s ALA 87 N -1.50 2.68 -0.08 3.71 0.00 0.72 -4.61 121.76 122.67 2nz4 s ALA 87 Ca 0.44 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.45 2nz4 s ALA 87 Cb -0.18 -3.56 -0.20 0.00 0.00 0.00 0.00 23.12 19.17 2nz4 s ALA 87 CO 0.22 -1.45 0.91 0.87 0.00 0.00 0.00 175.76 176.31 2nz4 h LYS 88 N 1.16 -0.05 -5.94 0.00 6.56 -1.91 -3.42 116.57 112.96 2nz4 h LYS 88 Ca -0.51 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.47 2nz4 h LYS 88 Cb 1.31 0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.85 2nz4 h LYS 88 CO 0.56 0.60 -0.67 0.95 -2.06 0.00 0.00 179.45 178.83 2nz4 s THR 89 N -3.10 2.28 0.34 -0.16 -4.23 -1.26 -5.05 115.64 104.46 2nz4 s THR 89 Ca -0.16 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 57.89 2nz4 s THR 89 Cb -0.01 -2.66 -0.11 0.00 1.34 0.00 0.00 72.50 71.06 2nz4 s THR 89 CO 0.60 -0.20 1.44 -1.81 -0.54 0.00 0.00 174.62 174.11 2nz4 s ASP 90 N -3.62 6.50 0.29 3.99 1.01 -1.26 -4.98 116.67 118.60 2nz4 s ASP 90 Ca 0.33 2.90 -0.30 0.00 0.71 0.00 0.00 52.55 56.19 2nz4 s ASP 90 Cb 0.02 -2.65 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 2nz4 s ASP 90 CO 0.17 -0.76 1.50 -0.44 0.21 0.00 0.00 175.17 175.84 2nz4 s SER 91 N -0.12 6.52 0.57 0.27 0.01 -1.26 -4.88 113.70 114.80 2nz4 s SER 91 Ca 0.53 2.83 0.37 0.00 1.31 0.00 0.00 55.95 60.99 2nz4 s SER 91 Cb -0.44 -2.64 1.71 0.00 0.21 0.00 0.00 66.02 64.87 2nz4 s SER 91 CO 0.57 -0.79 2.10 -2.24 0.41 0.00 0.00 173.24 173.28 2nz4 h ASP 92 N 4.59 0.00 0.81 2.44 -0.00 -1.99 0.49 116.42 122.76 2nz4 h ASP 92 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 2nz4 h ASP 92 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 2nz4 h ASP 92 CO 0.76 0.00 0.00 -0.29 -0.00 0.00 0.00 179.24 179.71 2nz4 h ILE 93 N 0.00 0.00 0.02 4.15 2.10 -2.00 0.10 117.51 121.89 2nz4 h ILE 93 Ca 0.00 -0.29 -0.35 0.00 1.08 0.00 0.00 64.86 65.30 2nz4 h ILE 93 Cb 0.31 1.07 -0.05 0.00 -1.09 0.00 0.00 36.82 37.06 2nz4 h ILE 93 CO 0.00 0.00 -2.15 -0.38 -1.08 0.00 0.00 178.15 174.54 2nz4 n ILE 94 N -2.38 1.55 -0.16 2.19 2.08 0.12 -4.35 119.36 118.41 2nz4 n ILE 94 Ca 0.02 -0.74 -0.10 0.00 0.56 0.00 0.00 62.75 62.49 2nz4 n ILE 94 Cb 0.25 -1.07 -0.00 0.00 -0.75 0.00 0.00 39.64 38.06 2nz4 n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2nz4 h ALA 95 N 0.60 0.60 0.00 -1.39 0.00 -1.31 -3.50 119.26 114.26 2nz4 h ALA 95 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2nz4 h ALA 95 Cb 2.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2nz4 h ALA 95 CO 0.03 0.36 0.00 0.36 0.00 0.00 0.00 179.25 180.00