#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nz4 n THR 6 N 0.00 0.00 -2.58 6.31 -2.24 -1.26 -4.33 114.28 110.18 2nz4 n THR 6 Ca 0.00 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2nz4 n THR 6 Cb 0.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 2nz4 n THR 6 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2nz4 s ARG 7 N -2.69 4.50 0.26 -0.78 3.00 -1.26 -4.98 118.95 117.01 2nz4 s ARG 7 Ca 0.24 1.58 -0.29 0.00 0.00 0.00 0.00 55.73 57.26 2nz4 s ARG 7 Cb 0.20 -3.41 -0.14 0.00 0.00 0.00 0.00 34.95 31.60 2nz4 s ARG 7 CO 0.50 -0.14 1.06 -2.30 0.00 0.00 0.00 175.30 174.41 2nz4 n PRO 8 N 3.91 1.35 -3.77 3.54 -0.02 -1.26 -4.83 135.00 133.91 2nz4 n PRO 8 Ca 0.07 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2nz4 n PRO 8 Cb 0.49 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 2nz4 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nz4 s ASN 9 N -0.40 -0.18 0.57 2.55 3.84 -1.26 -5.04 114.94 115.02 2nz4 s ASN 9 Ca 0.62 0.12 0.26 0.00 0.21 0.00 0.00 52.86 54.07 2nz4 s ASN 9 Cb -0.73 0.34 1.66 0.00 -0.55 0.00 0.00 41.25 41.97 2nz4 s ASN 9 CO 0.58 -0.40 2.20 0.45 -2.79 0.00 0.00 177.10 177.14 2nz4 h HIS 10 N 4.14 0.00 -3.25 0.43 3.86 -1.90 -3.42 115.15 115.01 2nz4 h HIS 10 Ca -0.29 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.27 2nz4 h HIS 10 Cb 1.18 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.49 2nz4 h HIS 10 CO 0.52 0.00 -0.60 0.99 0.86 0.00 0.00 177.93 179.70 2nz4 s THR 11 N -4.74 4.47 -0.09 2.45 2.01 -1.26 -1.40 115.64 117.07 2nz4 s THR 11 Ca -0.05 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2nz4 s THR 11 Cb 0.16 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2nz4 s THR 11 CO 0.58 0.54 0.03 0.27 -0.69 0.00 0.00 174.62 175.35 2nz4 s ILE 12 N -0.26 4.60 -0.46 1.82 -4.36 -0.26 -1.27 121.20 121.00 2nz4 s ILE 12 Ca 0.07 -0.14 -0.15 0.00 -0.26 0.00 0.00 60.65 60.17 2nz4 s ILE 12 Cb -0.12 -2.95 0.07 0.00 1.25 0.00 0.00 42.46 40.71 2nz4 s ILE 12 CO 0.02 0.61 0.38 -0.47 0.24 0.00 0.00 174.94 175.71 2nz4 s TYR 13 N -0.92 3.26 -0.11 1.37 5.04 0.14 -1.71 117.35 124.41 2nz4 s TYR 13 Ca 0.14 -0.99 -0.17 0.00 -2.44 0.00 0.00 57.07 53.60 2nz4 s TYR 13 Cb -0.11 -3.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.03 2nz4 s TYR 13 CO 0.03 -0.80 0.45 0.42 -1.34 0.00 0.00 175.55 174.31 2nz4 s ILE 14 N 1.62 5.19 0.22 3.14 1.01 0.21 -1.28 121.20 131.30 2nz4 s ILE 14 Ca 0.04 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.63 2nz4 s ILE 14 Cb -0.24 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2nz4 s ILE 14 CO 0.06 0.35 0.15 -0.46 0.00 0.00 0.00 174.94 175.05 2nz4 n ASN 15 N 3.52 -0.04 -2.68 3.58 6.94 -0.22 0.13 115.26 126.49 2nz4 n ASN 15 Ca -0.08 -2.36 -0.21 0.00 -0.02 0.00 0.00 54.58 51.92 2nz4 n ASN 15 Cb 0.52 0.94 0.02 0.00 -2.36 0.00 0.00 39.78 38.90 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 -2.07 -5.80 -4.85 0.53 5.15 -0.89 -2.04 115.26 105.30 2nz4 n ASN 16 Ca 0.03 -0.21 -0.32 0.00 -0.60 0.00 0.00 54.58 53.48 2nz4 n ASN 16 Cb 0.38 -4.67 -0.05 0.00 -0.53 0.00 0.00 39.78 34.90 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 -6.11 3.94 0.05 1.20 1.43 0.19 -4.62 118.68 114.77 2nz4 s LEU 17 Ca 0.22 1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 2nz4 s LEU 17 Cb -0.09 -4.21 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 2nz4 s LEU 17 CO 0.27 -0.32 1.84 0.21 0.23 0.00 0.00 176.35 178.58 2nz4 s ASN 18 N -2.52 6.50 0.00 2.29 3.84 -1.26 -4.46 114.94 119.33 2nz4 s ASN 18 Ca 0.56 2.61 0.27 0.00 0.21 0.00 0.00 52.86 56.50 2nz4 s ASN 18 Cb -0.10 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.97 2nz4 s ASN 18 CO 0.21 -1.00 1.68 -0.62 -2.79 0.00 0.00 177.10 174.57 2nz4 n GLU 19 N 6.71 0.42 0.11 0.43 1.02 -1.26 -3.58 120.64 124.49 2nz4 n GLU 19 Ca 0.18 -0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 2nz4 n GLU 19 Cb 0.40 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.13 0.26 -2.89 3.49 5.02 -1.26 -4.87 118.16 116.80 2nz4 n LYS 20 Ca 0.10 0.25 -0.40 0.00 -2.02 0.00 0.00 58.31 56.24 2nz4 n LYS 20 Cb 0.32 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 2nz4 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nz4 s ILE 21 N -3.13 4.33 0.64 -0.18 -1.09 -1.24 -5.03 121.20 115.50 2nz4 s ILE 21 Ca 0.10 1.85 -0.12 0.00 -2.23 0.00 0.00 60.65 60.24 2nz4 s ILE 21 Cb 0.12 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 2nz4 s ILE 21 CO 0.57 0.48 1.04 -0.54 -1.23 0.00 0.00 174.94 175.26 2nz4 s LYS 22 N -0.91 3.28 0.14 2.79 1.02 -1.26 -4.81 119.74 119.99 2nz4 s LYS 22 Ca 0.39 0.94 -0.18 0.00 0.02 0.00 0.00 55.97 57.14 2nz4 s LYS 22 Cb -0.24 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2nz4 s LYS 22 CO 0.28 -0.82 1.77 -0.22 -0.92 0.00 0.00 175.35 175.43 2nz4 h LYS 23 N -0.26 0.28 -0.03 1.68 3.64 -1.96 0.75 116.57 120.68 2nz4 h LYS 23 Ca -0.45 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 58.69 2nz4 h LYS 23 Cb 1.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2nz4 h LYS 23 CO 0.59 0.19 -0.90 0.22 -2.27 0.00 0.00 179.45 177.28 2nz4 h ASP 24 N 0.29 0.63 -0.13 4.20 -0.00 -1.97 -2.41 116.42 117.03 2nz4 h ASP 24 Ca 0.12 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.03 56.66 2nz4 h ASP 24 Cb 0.05 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 39.18 2nz4 h ASP 24 CO -0.09 1.26 -0.01 -0.08 -0.00 0.00 0.00 179.24 180.31 2nz4 h GLU 25 N 0.30 0.23 -0.80 0.28 4.81 -1.87 -2.37 114.58 115.16 2nz4 h GLU 25 Ca -0.07 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2nz4 h GLU 25 Cb 1.52 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.82 2nz4 h GLU 25 CO 0.16 0.50 0.47 1.25 -0.73 0.00 0.00 179.01 180.66 2nz4 h LEU 26 N -0.06 0.71 -0.43 1.64 5.85 -0.83 -1.13 115.31 121.06 2nz4 h LEU 26 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2nz4 h LEU 26 Cb 0.40 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2nz4 h LEU 26 CO 0.01 0.43 0.02 0.11 -0.34 0.00 0.00 178.44 178.68 2nz4 h LYS 27 N 0.83 0.75 -0.34 1.25 1.57 -1.34 -0.77 116.57 118.52 2nz4 h LYS 27 Ca 0.37 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2nz4 h LYS 27 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2nz4 h LYS 27 CO -0.21 0.80 0.17 0.87 -0.57 0.00 0.00 179.45 180.52 2nz4 h LYS 28 N 0.59 0.49 -0.40 3.15 1.57 -1.09 -0.07 116.57 120.81 2nz4 h LYS 28 Ca 0.13 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2nz4 h LYS 28 Cb 0.45 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2nz4 h LYS 28 CO 0.02 0.43 -0.14 0.77 -0.57 0.00 0.00 179.45 179.96 2nz4 h SER 29 N 0.42 0.73 -0.32 0.86 0.02 -1.01 0.27 113.55 114.52 2nz4 h SER 29 Ca 0.12 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 2nz4 h SER 29 Cb 0.10 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2nz4 h SER 29 CO -0.02 0.89 0.10 -0.07 -1.14 0.00 0.00 176.83 176.59 2nz4 h LEU 30 N 0.67 0.47 -0.70 5.07 3.38 -1.02 -2.75 115.31 120.43 2nz4 h LEU 30 Ca 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2nz4 h LEU 30 Cb 0.61 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2nz4 h LEU 30 CO 0.04 0.55 0.42 -0.74 0.09 0.00 0.00 178.44 178.81 2nz4 h HIS 31 N 0.36 0.92 -0.79 1.13 2.76 -0.49 -0.34 115.15 118.71 2nz4 h HIS 31 Ca 0.10 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.45 2nz4 h HIS 31 Cb 0.25 -0.30 -0.12 0.00 1.55 0.00 0.00 27.41 28.79 2nz4 h HIS 31 CO 0.01 0.63 0.22 0.00 -1.30 0.00 0.00 177.93 177.48 2nz4 h ALA 32 N 1.22 1.08 0.00 5.26 0.00 -0.25 -1.57 119.26 124.99 2nz4 h ALA 32 Ca 0.25 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 2nz4 h ALA 32 Cb -0.03 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2nz4 h ALA 32 CO -0.05 -0.35 -1.47 -0.89 0.00 0.00 0.00 179.25 176.49 2nz4 n ILE 33 N -5.15 1.18 0.68 0.00 5.41 -1.05 -4.49 119.36 115.94 2nz4 n ILE 33 Ca 0.17 -0.70 0.10 0.00 1.00 0.00 0.00 62.75 63.32 2nz4 n ILE 33 Cb 0.52 -0.73 -0.13 0.00 -0.71 0.00 0.00 39.64 38.60 2nz4 n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2nz4 n PHE 34 N -2.87 0.00 0.20 1.39 3.72 -0.16 -4.39 117.46 115.34 2nz4 n PHE 34 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 2nz4 n PHE 34 Cb 0.85 -0.14 0.41 0.00 -0.94 0.00 0.00 39.48 39.66 2nz4 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2nz4 h SER 35 N 0.00 0.00 0.16 4.37 4.64 -1.51 -3.02 113.55 118.18 2nz4 h SER 35 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nz4 h SER 35 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2nz4 h SER 35 CO 0.00 0.31 -0.01 0.08 -0.87 0.00 0.00 176.83 176.34 2nz4 h ARG 36 N 0.00 0.00 0.00 4.77 -0.00 -1.83 -1.63 114.38 115.69 2nz4 h ARG 36 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2nz4 h ARG 36 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.76 2nz4 h ARG 36 CO 0.04 0.01 0.00 1.19 -0.00 0.00 0.00 179.97 181.21 2nz4 n PHE 37 N -3.24 0.74 -1.98 4.08 3.72 -1.14 -5.02 117.46 114.61 2nz4 n PHE 37 Ca -0.02 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2nz4 n PHE 37 Cb 0.11 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 2nz4 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nz4 n GLY 38 N 1.03 0.00 3.69 1.37 0.00 -0.61 -4.53 105.19 106.15 2nz4 n GLY 38 Ca 0.05 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.00 4.37 -0.27 1.61 0.74 -1.26 -4.65 119.66 118.20 2nz4 s GLN 39 Ca 0.00 1.69 -0.12 0.00 0.05 0.00 0.00 55.36 56.97 2nz4 s GLN 39 Cb 0.00 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 2nz4 s GLN 39 CO 0.00 -0.40 0.25 0.42 -0.55 0.00 0.00 175.29 175.01 2nz4 s ILE 40 N 1.97 5.27 0.01 -2.34 1.01 -1.26 -1.50 121.20 124.36 2nz4 s ILE 40 Ca 0.56 0.30 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 2nz4 s ILE 40 Cb -0.25 -3.58 -0.23 0.00 0.01 0.00 0.00 42.46 38.41 2nz4 s ILE 40 CO 0.24 0.23 1.12 -0.07 0.00 0.00 0.00 174.94 176.45 2nz4 h LEU 41 N 8.38 0.57 -7.00 2.97 3.38 0.24 -3.48 115.31 120.36 2nz4 h LEU 41 Ca -0.34 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 56.92 2nz4 h LEU 41 Cb 1.18 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.58 2nz4 h LEU 41 CO 0.59 1.24 0.38 -0.62 0.09 0.00 0.00 178.44 180.11 2nz4 s ASP 42 N -6.78 -0.48 -0.24 -0.43 -1.08 -1.19 -5.03 116.67 101.44 2nz4 s ASP 42 Ca -0.13 0.29 -0.01 0.00 -0.52 0.00 0.00 52.55 52.18 2nz4 s ASP 42 Cb 0.04 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 41.97 2nz4 s ASP 42 CO 0.83 -0.61 -0.07 -0.63 0.52 0.00 0.00 175.17 175.21 2nz4 s ILE 43 N -2.21 2.78 -0.17 4.11 1.01 -1.26 -1.03 121.20 124.43 2nz4 s ILE 43 Ca -0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.46 2nz4 s ILE 43 Cb -0.01 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2nz4 s ILE 43 CO -0.02 0.20 0.22 -0.76 0.00 0.00 0.00 174.94 174.58 2nz4 s LEU 44 N 1.31 4.24 -0.08 2.97 1.43 0.56 -4.95 118.68 124.16 2nz4 s LEU 44 Ca -0.00 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2nz4 s LEU 44 Cb -0.17 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.85 2nz4 s LEU 44 CO -0.05 0.14 0.17 -0.69 0.23 0.00 0.00 176.35 176.15 2nz4 s VAL 45 N 0.37 -0.05 0.04 -1.59 1.01 -1.26 -1.68 120.40 117.24 2nz4 s VAL 45 Ca 0.13 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2nz4 s VAL 45 Cb -0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 2nz4 s VAL 45 CO 0.01 0.07 -0.14 -0.55 0.00 0.00 0.00 175.10 174.50 2nz4 s SER 46 N 1.21 1.66 -0.05 3.32 0.15 -1.26 -5.03 113.70 113.70 2nz4 s SER 46 Ca -0.09 -0.49 0.14 0.00 0.70 0.00 0.00 55.95 56.21 2nz4 s SER 46 Cb -0.11 -0.09 0.43 0.00 -1.71 0.00 0.00 66.02 64.53 2nz4 s SER 46 CO -0.07 0.01 1.35 0.54 1.20 0.00 0.00 173.24 176.28 2nz4 n ARG 47 N 1.78 2.97 -0.60 5.44 1.74 -1.26 -2.90 116.66 123.83 2nz4 n ARG 47 Ca -0.19 -2.36 -0.30 0.00 -0.77 0.00 0.00 57.85 54.23 2nz4 n ARG 47 Cb 0.55 -1.49 0.20 0.00 -1.02 0.00 0.00 32.46 30.70 2nz4 n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2nz4 s SER 48 N -1.19 2.10 0.19 0.55 1.04 -1.26 -4.49 113.70 110.64 2nz4 s SER 48 Ca 0.32 1.97 -0.16 0.00 0.48 0.00 0.00 55.95 58.57 2nz4 s SER 48 Cb 0.20 -2.49 0.18 0.00 0.10 0.00 0.00 66.02 64.01 2nz4 s SER 48 CO 0.17 -3.58 1.63 0.25 0.98 0.00 0.00 173.24 172.69 2nz4 h LEU 49 N -2.20 -0.62 -0.55 2.42 5.85 -1.97 0.51 115.31 118.75 2nz4 h LEU 49 Ca -0.50 0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 2nz4 h LEU 49 Cb 1.29 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2nz4 h LEU 49 CO 0.44 -0.21 -0.12 0.11 -0.34 0.00 0.00 178.44 178.32 2nz4 h LYS 50 N -0.04 1.04 -0.00 1.25 1.79 -1.97 -3.35 116.57 115.28 2nz4 h LYS 50 Ca 0.26 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2nz4 h LYS 50 Cb 0.44 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2nz4 h LYS 50 CO -0.58 1.08 -0.74 -1.33 -1.08 0.00 0.00 179.45 176.80 2nz4 n MET 51 N -4.14 1.44 -1.12 3.15 2.81 -0.85 -4.98 117.12 113.43 2nz4 n MET 51 Ca 0.01 -0.11 -0.33 0.00 -1.81 0.00 0.00 57.70 55.47 2nz4 n MET 51 Cb 0.41 -1.30 0.12 0.00 -0.71 0.00 0.00 33.22 31.74 2nz4 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2nz4 s ARG 52 N -2.53 1.69 0.00 0.03 1.70 0.11 -3.22 118.95 116.73 2nz4 s ARG 52 Ca 0.07 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 2nz4 s ARG 52 Cb 0.13 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 2nz4 s ARG 52 CO 0.66 -2.15 0.00 0.41 -1.08 0.00 0.00 175.30 173.14 2nz4 n GLY 53 N 0.24 0.64 3.21 3.88 0.00 -1.26 -4.99 105.19 106.91 2nz4 n GLY 53 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.07 0.93 -0.06 1.61 -0.21 -1.20 -0.63 119.66 120.03 2nz4 s GLN 54 Ca 0.00 -1.37 -0.21 0.00 0.02 0.00 0.00 55.36 53.80 2nz4 s GLN 54 Cb 0.00 -0.42 0.05 0.00 1.00 0.00 0.00 33.01 33.64 2nz4 s GLN 54 CO 0.00 0.03 0.49 0.00 -2.12 0.00 0.00 175.29 173.69 2nz4 s ALA 55 N -3.39 -1.24 -0.20 6.09 0.00 0.12 -4.62 121.76 118.52 2nz4 s ALA 55 Ca 0.13 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 2nz4 s ALA 55 Cb 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2nz4 s ALA 55 CO -0.02 -0.30 -0.13 -0.06 0.00 0.00 0.00 175.76 175.25 2nz4 s PHE 56 N -0.96 2.88 -0.25 0.00 0.40 -0.67 -0.62 117.98 118.75 2nz4 s PHE 56 Ca -0.10 -1.40 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 2nz4 s PHE 56 Cb -0.03 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 2nz4 s PHE 56 CO 0.06 -0.71 0.07 0.08 0.70 0.00 0.00 175.22 175.42 2nz4 s VAL 57 N 1.36 4.31 -0.44 -0.44 1.01 -0.70 -0.32 120.40 125.17 2nz4 s VAL 57 Ca 0.05 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 2nz4 s VAL 57 Cb -0.14 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.29 2nz4 s VAL 57 CO -0.09 0.33 0.32 -0.63 0.00 0.00 0.00 175.10 175.03 2nz4 s ILE 58 N 1.61 4.70 0.32 2.22 1.01 -0.19 -1.10 121.20 129.78 2nz4 s ILE 58 Ca 0.06 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 2nz4 s ILE 58 Cb -0.15 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2nz4 s ILE 58 CO 0.04 -0.52 0.74 -0.36 0.00 0.00 0.00 174.94 174.83 2nz4 s PHE 59 N 1.53 3.37 0.39 3.97 0.08 -0.50 0.92 117.98 127.75 2nz4 s PHE 59 Ca 0.03 1.21 0.07 0.00 0.12 0.00 0.00 56.93 58.37 2nz4 s PHE 59 Cb -0.23 -2.53 0.79 0.00 -0.57 0.00 0.00 43.02 40.48 2nz4 s PHE 59 CO 0.04 0.09 1.98 -0.22 -0.10 0.00 0.00 175.22 177.01 2nz4 h LYS 60 N 2.23 0.43 -5.87 0.44 3.64 -1.56 -3.44 116.57 112.43 2nz4 h LYS 60 Ca -0.48 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.26 2nz4 h LYS 60 Cb 1.17 -0.08 -0.29 0.00 -0.41 0.00 0.00 32.23 32.62 2nz4 h LYS 60 CO 0.65 0.40 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.17 2nz4 s GLU 61 N -5.13 1.56 0.18 1.90 0.41 -1.26 -5.05 118.70 111.30 2nz4 s GLU 61 Ca -0.07 -0.70 -0.12 0.00 -0.41 0.00 0.00 54.97 53.67 2nz4 s GLU 61 Cb 0.16 -1.51 0.08 0.00 -1.78 0.00 0.00 34.13 31.09 2nz4 s GLU 61 CO 0.74 0.41 1.77 0.28 -0.49 0.00 0.00 175.26 177.97 2nz4 h VAL 62 N 4.65 1.21 -1.01 2.63 2.07 -1.88 -2.22 116.25 121.71 2nz4 h VAL 62 Ca -0.38 -0.58 0.24 0.00 0.82 0.00 0.00 66.70 66.80 2nz4 h VAL 62 Cb 1.14 0.48 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 2nz4 h VAL 62 CO 0.48 0.24 0.60 0.77 0.02 0.00 0.00 177.57 179.68 2nz4 h SER 63 N 0.82 0.68 0.09 0.57 4.64 -1.96 0.42 113.55 118.81 2nz4 h SER 63 Ca 0.21 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2nz4 h SER 63 Cb 0.10 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2nz4 h SER 63 CO -0.03 0.13 -0.04 0.28 -0.87 0.00 0.00 176.83 176.30 2nz4 h SER 64 N 0.60 -0.10 -0.66 4.97 0.02 -1.64 -1.61 113.55 115.12 2nz4 h SER 64 Ca 0.63 -0.19 0.11 0.00 -0.84 0.00 0.00 61.79 61.50 2nz4 h SER 64 Cb 1.19 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2nz4 h SER 64 CO -0.45 0.14 0.25 0.00 -1.14 0.00 0.00 176.83 175.63 2nz4 h ALA 65 N 0.55 0.88 -0.42 3.77 0.00 -0.70 -1.51 119.26 121.82 2nz4 h ALA 65 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2nz4 h ALA 65 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2nz4 h ALA 65 CO 0.02 -0.19 -0.15 1.15 0.00 0.00 0.00 179.25 180.09 2nz4 h THR 66 N 0.43 1.26 -0.36 0.00 2.02 -0.10 -2.31 112.91 113.86 2nz4 h THR 66 Ca 0.34 -1.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 2nz4 h THR 66 Cb 0.45 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2nz4 h THR 66 CO -0.34 0.42 -0.35 0.78 0.37 0.00 0.00 175.52 176.40 2nz4 h ASN 67 N 0.70 0.92 -0.85 4.18 2.35 -0.79 -2.87 115.58 119.23 2nz4 h ASN 67 Ca 0.11 -0.47 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 2nz4 h ASN 67 Cb 0.64 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 2nz4 h ASN 67 CO 0.04 1.20 0.55 0.00 -1.65 0.00 0.00 177.43 177.58 2nz4 h ALA 68 N 0.75 1.11 0.27 -0.83 0.00 -1.15 -0.78 119.26 118.63 2nz4 h ALA 68 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2nz4 h ALA 68 Cb 0.94 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2nz4 h ALA 68 CO 0.09 0.42 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 2nz4 h LEU 69 N 1.09 -0.31 -0.72 0.00 6.46 -1.37 -1.48 115.31 118.98 2nz4 h LEU 69 Ca 0.33 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.93 2nz4 h LEU 69 Cb -0.04 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2nz4 h LEU 69 CO -0.10 -0.10 0.10 0.03 -0.62 0.00 0.00 178.44 177.74 2nz4 h ARG 70 N -0.51 1.08 -0.01 1.25 3.08 -1.38 -2.71 114.38 115.19 2nz4 h ARG 70 Ca -0.04 -0.29 -0.23 0.00 0.07 0.00 0.00 59.98 59.50 2nz4 h ARG 70 Cb 0.38 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2nz4 h ARG 70 CO 0.06 0.99 -0.94 0.77 -1.07 0.00 0.00 179.97 179.79 2nz4 h SER 71 N 1.01 0.56 -0.27 7.04 0.02 -1.11 -3.32 113.55 117.47 2nz4 h SER 71 Ca 0.20 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2nz4 h SER 71 Cb 0.44 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2nz4 h SER 71 CO 0.01 1.24 0.00 0.23 -1.14 0.00 0.00 176.83 177.18 2nz4 n MET 72 N -3.76 2.28 -1.67 3.45 2.81 -0.56 -4.95 117.12 114.72 2nz4 n MET 72 Ca -0.07 -2.08 -0.47 0.00 -1.81 0.00 0.00 57.70 53.26 2nz4 n MET 72 Cb 0.83 -1.45 -0.05 0.00 -0.71 0.00 0.00 33.22 31.84 2nz4 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2nz4 n GLN 73 N 1.31 2.03 -1.07 0.03 -0.06 -1.03 -1.62 117.38 116.97 2nz4 n GLN 73 Ca 0.16 0.74 -0.02 0.00 -2.00 0.00 0.00 57.00 55.87 2nz4 n GLN 73 Cb 0.56 -2.51 -0.01 0.00 -4.06 0.00 0.00 30.24 24.22 2nz4 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2nz4 n GLY 74 N 3.60 0.45 3.66 1.69 0.00 0.95 -4.96 105.19 110.57 2nz4 n GLY 74 Ca 0.19 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.66 2.12 0.15 1.61 2.19 -0.64 -4.19 117.98 117.56 2nz4 s PHE 75 Ca 0.00 0.33 -0.33 0.00 0.33 0.00 0.00 56.93 57.26 2nz4 s PHE 75 Cb 0.00 -3.85 -0.13 0.00 -1.31 0.00 0.00 43.02 37.73 2nz4 s PHE 75 CO 0.00 -3.49 1.67 -2.30 1.83 0.00 0.00 175.22 172.93 2nz4 n PRO 76 N 7.06 2.37 -3.61 10.12 -0.02 -1.26 -2.28 135.00 147.38 2nz4 n PRO 76 Ca 0.17 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 2nz4 n PRO 76 Cb 0.43 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 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 1.43 -0.73 -1.59 6.00 5.36 -0.33 -4.80 117.98 123.33 2nz4 s PHE 77 Ca 0.79 1.31 -0.13 0.00 -0.96 0.00 0.00 56.93 57.94 2nz4 s PHE 77 Cb -0.62 0.19 0.10 0.00 -0.34 0.00 0.00 43.02 42.36 2nz4 s PHE 77 CO 0.38 -0.50 0.76 0.66 -1.46 0.00 0.00 175.22 175.06 2nz4 n TYR 78 N 5.38 -1.87 -0.99 10.12 4.01 -1.26 -1.84 117.16 130.71 2nz4 n TYR 78 Ca -0.07 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 2nz4 n TYR 78 Cb 0.50 -3.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.10 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 -2.78 -0.28 -4.00 7.72 8.00 -1.26 -4.71 116.55 119.23 2nz4 n ASP 79 Ca -0.03 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 2nz4 n ASP 79 Cb 0.55 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.01 1.04 -0.03 -1.24 1.02 -0.77 -5.06 119.74 114.69 2nz4 s LYS 80 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 2nz4 s LYS 80 Cb 0.00 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 2nz4 s LYS 80 CO 0.00 0.10 1.52 -1.25 -0.92 0.00 0.00 175.35 174.80 2nz4 s PRO 81 N 0.25 4.23 0.28 -1.68 0.04 -1.26 -1.19 135.00 135.67 2nz4 s PRO 81 Ca -0.04 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2nz4 s PRO 81 Cb -0.09 -3.75 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 2nz4 s PRO 81 CO 0.01 -0.72 0.99 0.00 0.04 0.00 0.00 177.00 177.32 2nz4 s MET 82 N 3.18 4.67 -0.19 4.56 0.23 -0.96 -4.83 119.30 125.96 2nz4 s MET 82 Ca 0.68 1.52 -0.09 0.00 -1.03 0.00 0.00 55.69 56.78 2nz4 s MET 82 Cb -0.32 -3.07 -0.04 0.00 -1.53 0.00 0.00 34.83 29.86 2nz4 s MET 82 CO 0.27 0.33 0.09 0.50 -2.03 0.00 0.00 175.02 174.18 2nz4 s ARG 83 N -1.58 4.05 -0.09 3.16 3.52 -0.86 -0.04 118.95 127.11 2nz4 s ARG 83 Ca 0.46 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2nz4 s ARG 83 Cb -0.25 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2nz4 s ARG 83 CO 0.32 0.31 -0.22 0.42 -0.81 0.00 0.00 175.30 175.31 2nz4 s ILE 84 N 0.31 1.93 0.29 4.11 1.01 -1.26 -1.06 121.20 126.53 2nz4 s ILE 84 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.80 2nz4 s ILE 84 Cb -0.12 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 2nz4 s ILE 84 CO -0.01 0.53 0.03 -1.10 0.00 0.00 0.00 174.94 174.39 2nz4 s GLN 85 N 0.36 1.54 0.53 2.79 -0.21 -0.40 -4.99 119.66 119.29 2nz4 s GLN 85 Ca -0.18 -1.83 -0.19 0.00 0.02 0.00 0.00 55.36 53.19 2nz4 s GLN 85 Cb -0.18 -0.82 -0.07 0.00 1.00 0.00 0.00 33.01 32.95 2nz4 s GLN 85 CO 0.08 -0.13 1.05 0.71 -2.12 0.00 0.00 175.29 174.88 2nz4 s TYR 86 N -3.31 2.96 0.41 0.91 2.02 -1.26 0.27 117.35 119.35 2nz4 s TYR 86 Ca 0.34 1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 58.34 2nz4 s TYR 86 Cb 0.07 -3.07 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 2nz4 s TYR 86 CO 0.13 -1.01 1.20 0.00 -1.57 0.00 0.00 175.55 174.31 2nz4 s ALA 87 N -2.11 3.14 0.41 3.71 0.00 -0.40 -4.45 121.76 122.07 2nz4 s ALA 87 Ca 0.67 1.03 0.13 0.00 0.00 0.00 0.00 51.96 53.79 2nz4 s ALA 87 Cb -0.17 -3.41 0.86 0.00 0.00 0.00 0.00 23.12 20.40 2nz4 s ALA 87 CO 0.26 -0.64 1.91 0.87 0.00 0.00 0.00 175.76 178.17 2nz4 h LYS 88 N 2.54 0.02 -4.31 0.00 1.57 -1.91 -3.44 116.57 111.03 2nz4 h LYS 88 Ca -0.49 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.11 2nz4 h LYS 88 Cb 1.24 -0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.41 2nz4 h LYS 88 CO 0.62 0.28 -0.56 0.95 -0.57 0.00 0.00 179.45 180.17 2nz4 s THR 89 N -4.45 0.08 0.43 -0.16 -4.23 -1.26 -4.31 115.64 101.74 2nz4 s THR 89 Ca -0.04 -1.80 -0.25 0.00 -1.18 0.00 0.00 61.69 58.42 2nz4 s THR 89 Cb 0.15 -2.06 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 2nz4 s THR 89 CO 0.71 -0.37 1.26 -1.81 -0.54 0.00 0.00 174.62 173.87 2nz4 s ASP 90 N -3.04 6.24 0.61 3.99 1.01 -1.26 -4.91 116.67 119.30 2nz4 s ASP 90 Ca 0.24 2.54 -0.16 0.00 0.71 0.00 0.00 52.55 55.89 2nz4 s ASP 90 Cb 0.06 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2nz4 s ASP 90 CO 0.03 -0.89 1.08 -0.44 0.21 0.00 0.00 175.17 175.15 2nz4 s SER 91 N -0.94 5.59 0.23 0.27 0.01 -1.26 -4.82 113.70 112.78 2nz4 s SER 91 Ca 0.59 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.66 2nz4 s SER 91 Cb -0.35 -2.54 0.36 0.00 0.21 0.00 0.00 66.02 63.70 2nz4 s SER 91 CO 0.44 -1.30 1.67 0.44 0.41 0.00 0.00 173.24 174.91 2nz4 h ASP 92 N 0.38 -0.16 0.99 2.44 5.19 -1.99 -1.29 116.42 121.98 2nz4 h ASP 92 Ca -0.47 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2nz4 h ASP 92 Cb 1.23 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.98 2nz4 h ASP 92 CO 0.56 -0.08 0.00 2.30 -3.12 0.00 0.00 179.24 178.90 2nz4 n ILE 93 N -5.23 0.69 -0.10 0.35 -5.35 -1.26 -1.43 119.36 107.03 2nz4 n ILE 93 Ca 0.11 0.03 -0.20 0.00 -0.27 0.00 0.00 62.75 62.42 2nz4 n ILE 93 Cb 0.40 -0.88 -0.12 0.00 -1.74 0.00 0.00 39.64 37.30 2nz4 n ILE 93 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2nz4 h ILE 94 N 0.00 1.11 -0.99 7.28 1.08 -1.66 -3.26 117.51 121.06 2nz4 h ILE 94 Ca 0.00 -2.22 0.18 0.00 -0.39 0.00 0.00 64.86 62.44 2nz4 h ILE 94 Cb 0.49 2.48 -0.10 0.00 -3.07 0.00 0.00 36.82 36.63 2nz4 h ILE 94 CO 0.00 0.38 0.61 0.00 -0.69 0.00 0.00 178.15 178.46 2nz4 h ALA 95 N -0.38 1.74 0.00 1.87 0.00 -1.06 -1.76 119.26 119.67 2nz4 h ALA 95 Ca -0.27 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2nz4 h ALA 95 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2nz4 h ALA 95 CO -0.16 -0.09 -0.45 1.57 0.00 0.00 0.00 179.25 180.12 2nz4 h LYS 96 N 0.74 0.00 -0.44 0.00 5.09 -1.42 -3.28 116.57 117.26 2nz4 h LYS 96 Ca 0.55 0.00 0.08 0.00 0.09 0.00 0.00 60.65 61.38 2nz4 h LYS 96 Cb 0.90 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.20 2nz4 h LYS 96 CO -0.34 0.45 0.30 0.52 -2.09 0.00 0.00 179.45 178.29 2nz4 h MET 97 N 0.00 0.23 0.00 0.07 2.07 -1.36 -3.51 114.93 112.43 2nz4 h MET 97 Ca -0.00 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2nz4 h MET 97 Cb 1.15 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.83 2nz4 h MET 97 CO 0.06 0.15 0.00 1.63 1.07 0.00 0.00 176.91 179.82