#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nz4 s ASN 9 N 0.00 0.30 0.30 2.55 3.84 -1.26 -5.05 114.94 115.63 2nz4 s ASN 9 Ca 0.00 -0.76 0.04 0.00 0.21 0.00 0.00 52.86 52.34 2nz4 s ASN 9 Cb 0.00 0.23 0.49 0.00 -0.55 0.00 0.00 41.25 41.42 2nz4 s ASN 9 CO 0.00 -0.59 1.77 0.45 -2.79 0.00 0.00 177.10 175.94 2nz4 h HIS 10 N 3.28 0.50 -2.85 0.43 3.86 -1.88 -3.43 115.15 115.05 2nz4 h HIS 10 Ca -0.33 -0.09 -0.64 0.00 -1.16 0.00 0.00 60.37 58.14 2nz4 h HIS 10 Cb 1.17 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 29.43 2nz4 h HIS 10 CO 0.52 0.63 -0.45 0.99 0.86 0.00 0.00 177.93 180.47 2nz4 s THR 11 N -4.60 5.44 -0.16 2.45 2.01 -1.26 -0.96 115.64 118.56 2nz4 s THR 11 Ca -0.07 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 2nz4 s THR 11 Cb 0.14 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2nz4 s THR 11 CO 0.78 0.56 0.04 0.27 -0.69 0.00 0.00 174.62 175.58 2nz4 s ILE 12 N -0.63 4.65 -0.54 1.82 -4.36 -0.19 -2.14 121.20 119.81 2nz4 s ILE 12 Ca 0.14 -0.09 -0.21 0.00 -0.26 0.00 0.00 60.65 60.23 2nz4 s ILE 12 Cb -0.12 -3.06 0.06 0.00 1.25 0.00 0.00 42.46 40.59 2nz4 s ILE 12 CO 0.03 0.50 0.76 -0.47 0.24 0.00 0.00 174.94 176.01 2nz4 s TYR 13 N 0.03 2.93 -0.06 1.37 5.04 0.29 -2.18 117.35 124.76 2nz4 s TYR 13 Ca 0.05 -0.42 -0.18 0.00 -2.44 0.00 0.00 57.07 54.07 2nz4 s TYR 13 Cb -0.12 -3.82 -0.05 0.00 0.35 0.00 0.00 41.96 38.32 2nz4 s TYR 13 CO 0.01 -1.22 0.50 0.42 -1.34 0.00 0.00 175.55 173.93 2nz4 s ILE 14 N 3.18 5.07 0.00 3.14 1.01 0.22 -1.69 121.20 132.13 2nz4 s ILE 14 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2nz4 s ILE 14 Cb -0.17 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2nz4 s ILE 14 CO 0.13 0.40 0.00 -0.46 0.00 0.00 0.00 174.94 175.01 2nz4 n ASN 15 N 3.05 0.00 -4.17 3.58 2.04 0.23 0.24 115.26 120.23 2nz4 n ASN 15 Ca -0.08 -0.54 -0.31 0.00 -0.44 0.00 0.00 54.58 53.21 2nz4 n ASN 15 Cb 0.52 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.71 2nz4 n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2nz4 n ASN 16 N -1.62 -0.66 -4.89 0.53 5.15 -1.05 -1.88 115.26 110.85 2nz4 n ASN 16 Ca 0.00 -1.11 -0.30 0.00 -0.60 0.00 0.00 54.58 52.56 2nz4 n ASN 16 Cb 0.00 -2.41 -0.04 0.00 -0.53 0.00 0.00 39.78 36.79 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 -7.18 4.09 0.11 1.20 1.43 -0.81 -4.49 118.68 113.03 2nz4 s LEU 17 Ca 0.23 0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 53.89 2nz4 s LEU 17 Cb -0.13 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 2nz4 s LEU 17 CO 0.94 -0.15 1.63 0.21 0.23 0.00 0.00 176.35 179.21 2nz4 s ASN 18 N -2.74 6.59 0.11 2.29 3.84 -1.26 -4.47 114.94 119.30 2nz4 s ASN 18 Ca 0.47 2.55 0.24 0.00 0.21 0.00 0.00 52.86 56.32 2nz4 s ASN 18 Cb -0.11 -2.57 0.25 0.00 -0.55 0.00 0.00 41.25 38.27 2nz4 s ASN 18 CO 0.25 -0.87 1.23 -0.33 -2.79 0.00 0.00 177.10 174.60 2nz4 h GLU 19 N 7.78 0.00 -0.09 0.43 5.08 -1.95 -3.32 114.58 122.51 2nz4 h GLU 19 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2nz4 h GLU 19 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2nz4 h GLU 19 CO 0.92 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.56 2nz4 n LYS 20 N -2.12 1.25 -3.30 2.33 5.02 -1.26 -4.81 118.16 115.27 2nz4 n LYS 20 Ca 0.03 -0.38 -0.38 0.00 -2.02 0.00 0.00 58.31 55.56 2nz4 n LYS 20 Cb 0.45 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.89 5.15 0.71 -0.18 -1.09 -1.25 -5.07 121.20 117.60 2nz4 s ILE 21 Ca 0.16 0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 59.34 2nz4 s ILE 21 Cb 0.08 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2nz4 s ILE 21 CO 0.12 0.25 1.00 0.29 -1.23 0.00 0.00 174.94 175.38 2nz4 n LYS 22 N 4.27 0.57 0.22 2.79 4.01 -1.26 -4.74 118.16 124.02 2nz4 n LYS 22 Ca -0.06 0.25 0.10 0.00 -0.51 0.00 0.00 58.31 58.08 2nz4 n LYS 22 Cb 0.51 -2.25 0.49 0.00 -0.51 0.00 0.00 35.03 33.26 2nz4 n LYS 22 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2nz4 h LYS 23 N -0.17 0.00 0.23 1.97 2.10 -1.97 -0.74 116.57 117.99 2nz4 h LYS 23 Ca -0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2nz4 h LYS 23 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 2nz4 h LYS 23 CO 0.48 0.23 -0.11 0.22 -2.00 0.00 0.00 179.45 178.27 2nz4 h ASP 24 N 0.00 -0.26 -0.59 7.07 -0.00 -1.96 -2.87 116.42 117.82 2nz4 h ASP 24 Ca -0.00 -0.27 0.10 0.00 -0.00 0.00 0.00 57.03 56.86 2nz4 h ASP 24 Cb 0.69 0.07 -0.11 0.00 -0.00 0.00 0.00 39.33 39.98 2nz4 h ASP 24 CO 0.03 0.23 -0.36 -0.33 -0.00 0.00 0.00 179.24 178.81 2nz4 h GLU 25 N -0.86 -0.18 -0.99 0.28 5.08 -1.83 -2.18 114.58 113.90 2nz4 h GLU 25 Ca -0.03 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2nz4 h GLU 25 Cb 0.51 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2nz4 h GLU 25 CO 0.05 -0.12 0.65 1.25 -1.00 0.00 0.00 179.01 179.85 2nz4 h LEU 26 N -0.18 1.09 -0.13 1.33 5.85 -1.23 -1.36 115.31 120.67 2nz4 h LEU 26 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2nz4 h LEU 26 Cb 0.56 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2nz4 h LEU 26 CO -0.68 0.74 0.05 0.11 -0.34 0.00 0.00 178.44 178.32 2nz4 h LYS 27 N 1.26 0.20 -0.12 1.25 1.57 -1.16 -0.95 116.57 118.62 2nz4 h LYS 27 Ca 0.40 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2nz4 h LYS 27 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2nz4 h LYS 27 CO -0.12 0.32 0.02 0.87 -0.57 0.00 0.00 179.45 179.96 2nz4 h LYS 28 N 0.04 0.20 -0.75 3.15 6.56 -1.35 -1.31 116.57 123.12 2nz4 h LYS 28 Ca 0.04 -0.06 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 2nz4 h LYS 28 Cb 0.20 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.78 2nz4 h LYS 28 CO -0.00 0.40 0.49 0.77 -2.06 0.00 0.00 179.45 179.05 2nz4 h SER 29 N -0.03 0.65 -0.17 0.86 0.02 -1.21 0.67 113.55 114.34 2nz4 h SER 29 Ca 0.04 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2nz4 h SER 29 Cb 0.30 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2nz4 h SER 29 CO 0.00 0.41 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.82 2nz4 h LEU 30 N 0.73 0.47 -1.27 5.07 3.38 -1.11 -3.28 115.31 119.30 2nz4 h LEU 30 Ca 0.33 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2nz4 h LEU 30 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2nz4 h LEU 30 CO -0.12 0.88 -0.35 -0.74 0.09 0.00 0.00 178.44 178.21 2nz4 h HIS 31 N 0.08 0.03 -0.97 1.13 2.76 -0.12 -0.78 115.15 117.27 2nz4 h HIS 31 Ca 0.02 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2nz4 h HIS 31 Cb 0.76 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 2nz4 h HIS 31 CO 0.09 0.37 0.64 0.00 -1.30 0.00 0.00 177.93 177.73 2nz4 h ALA 32 N 1.63 1.23 0.00 5.26 0.00 -0.98 -2.51 119.26 123.90 2nz4 h ALA 32 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2nz4 h ALA 32 Cb 0.63 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2nz4 h ALA 32 CO 0.05 0.62 -1.87 -0.89 0.00 0.00 0.00 179.25 177.16 2nz4 n ILE 33 N -4.41 0.97 0.98 0.00 5.41 -0.95 -4.13 119.36 117.23 2nz4 n ILE 33 Ca 0.11 -0.70 0.11 0.00 1.00 0.00 0.00 62.75 63.27 2nz4 n ILE 33 Cb 0.02 -0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.69 0.00 0.27 1.39 3.72 -0.34 -4.42 117.46 115.38 2nz4 n PHE 34 Ca -0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.39 2nz4 n PHE 34 Cb 0.88 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 40.13 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 2.04 0.00 0.29 4.37 4.64 -1.60 -2.99 113.55 120.30 2nz4 h SER 35 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2nz4 h SER 35 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2nz4 h SER 35 CO 0.00 0.10 -0.30 0.08 -0.87 0.00 0.00 176.83 175.84 2nz4 h ARG 36 N 0.00 0.02 0.00 4.77 0.11 -1.83 -3.03 114.38 114.42 2nz4 h ARG 36 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2nz4 h ARG 36 Cb 0.45 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2nz4 h ARG 36 CO 0.01 0.32 0.00 0.74 0.10 0.00 0.00 179.97 181.14 2nz4 h PHE 37 N 0.02 0.00 0.00 4.08 0.04 -1.84 -3.48 116.94 115.75 2nz4 h PHE 37 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2nz4 h PHE 37 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2nz4 h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2nz4 n GLY 38 N 0.52 -1.06 3.70 -1.45 0.00 -1.15 -4.41 105.19 101.34 2nz4 n GLY 38 Ca 0.02 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.99 4.35 -0.24 1.61 0.74 -1.26 -4.64 119.66 118.22 2nz4 s GLN 39 Ca 0.00 1.84 -0.18 0.00 0.05 0.00 0.00 55.36 57.07 2nz4 s GLN 39 Cb 0.00 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2nz4 s GLN 39 CO 0.00 -0.44 0.50 0.42 -0.55 0.00 0.00 175.29 175.22 2nz4 s ILE 40 N 1.85 5.10 -0.06 -2.34 1.01 -1.26 -1.53 121.20 123.97 2nz4 s ILE 40 Ca 0.60 0.87 -0.25 0.00 0.00 0.00 0.00 60.65 61.88 2nz4 s ILE 40 Cb -0.29 -3.82 -0.24 0.00 0.01 0.00 0.00 42.46 38.12 2nz4 s ILE 40 CO 0.26 0.13 1.00 -0.07 0.00 0.00 0.00 174.94 176.26 2nz4 h LEU 41 N 8.43 0.19 -7.00 2.97 3.38 0.18 -3.48 115.31 119.99 2nz4 h LEU 41 Ca -0.31 -0.80 0.04 0.00 0.09 0.00 0.00 57.88 56.90 2nz4 h LEU 41 Cb 1.15 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 2nz4 h LEU 41 CO 0.72 0.97 0.42 -0.62 0.09 0.00 0.00 178.44 180.02 2nz4 s ASP 42 N -6.30 -0.46 -0.27 -0.43 2.15 -1.17 -5.00 116.67 105.18 2nz4 s ASP 42 Ca -0.16 0.37 -0.03 0.00 0.43 0.00 0.00 52.55 53.16 2nz4 s ASP 42 Cb 0.00 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2nz4 s ASP 42 CO 0.74 -0.51 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.57 2nz4 s ILE 43 N -1.75 3.08 -0.16 4.11 1.01 -1.26 -0.37 121.20 125.86 2nz4 s ILE 43 Ca -0.02 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2nz4 s ILE 43 Cb -0.00 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2nz4 s ILE 43 CO 0.00 0.08 0.16 -0.76 0.00 0.00 0.00 174.94 174.43 2nz4 s LEU 44 N 1.33 4.28 -0.15 2.97 1.43 0.02 -4.96 118.68 123.60 2nz4 s LEU 44 Ca -0.01 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2nz4 s LEU 44 Cb -0.18 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 43.97 2nz4 s LEU 44 CO -0.02 0.24 0.33 -0.69 0.23 0.00 0.00 176.35 176.44 2nz4 s VAL 45 N -0.10 -0.22 0.19 -1.59 1.01 -1.26 -1.79 120.40 116.63 2nz4 s VAL 45 Ca 0.12 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2nz4 s VAL 45 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2nz4 s VAL 45 CO 0.01 0.07 -0.21 -0.55 0.00 0.00 0.00 175.10 174.42 2nz4 s SER 46 N 1.79 3.08 -0.10 3.32 0.15 -1.26 -5.00 113.70 115.69 2nz4 s SER 46 Ca -0.06 -0.88 0.14 0.00 0.70 0.00 0.00 55.95 55.85 2nz4 s SER 46 Cb -0.10 -0.21 0.40 0.00 -1.71 0.00 0.00 66.02 64.39 2nz4 s SER 46 CO -0.10 0.04 1.31 0.54 1.20 0.00 0.00 173.24 176.23 2nz4 n ARG 47 N 0.20 2.76 -1.03 5.44 1.74 -1.26 -3.59 116.66 120.91 2nz4 n ARG 47 Ca -0.12 -2.47 -0.30 0.00 -0.77 0.00 0.00 57.85 54.18 2nz4 n ARG 47 Cb 0.57 -1.57 0.14 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.66 3.53 0.22 0.55 1.04 -1.26 -4.59 113.70 111.54 2nz4 s SER 48 Ca 0.32 1.83 -0.07 0.00 0.48 0.00 0.00 55.95 58.51 2nz4 s SER 48 Cb 0.24 -2.44 0.34 0.00 0.10 0.00 0.00 66.02 64.27 2nz4 s SER 48 CO 0.10 -2.65 1.74 0.25 0.98 0.00 0.00 173.24 173.66 2nz4 h LEU 49 N -1.56 0.25 -0.52 2.42 5.85 -1.97 0.13 115.31 119.92 2nz4 h LEU 49 Ca -0.46 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2nz4 h LEU 49 Cb 1.26 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2nz4 h LEU 49 CO 0.49 0.13 0.08 0.11 -0.34 0.00 0.00 178.44 178.91 2nz4 h LYS 50 N 0.43 0.86 -0.29 1.25 1.79 -1.98 -3.33 116.57 115.29 2nz4 h LYS 50 Ca 0.35 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2nz4 h LYS 50 Cb 0.46 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2nz4 h LYS 50 CO -0.34 0.85 0.00 -1.33 -1.08 0.00 0.00 179.45 177.55 2nz4 n MET 51 N -4.39 2.88 -1.92 3.15 2.81 -0.77 -5.01 117.12 113.87 2nz4 n MET 51 Ca 0.02 -2.38 -0.32 0.00 -1.81 0.00 0.00 57.70 53.20 2nz4 n MET 51 Cb 0.26 -1.51 0.02 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.82 3.28 -1.51 0.03 1.70 0.40 -3.87 118.95 117.17 2nz4 s ARG 52 Ca 0.31 1.06 0.00 0.00 -0.47 0.00 0.00 55.73 56.63 2nz4 s ARG 52 Cb 0.21 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 2nz4 s ARG 52 CO 0.12 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.92 2nz4 n GLY 53 N -1.49 0.21 3.17 3.88 0.00 -1.26 -4.97 105.19 104.72 2nz4 n GLY 53 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.45 0.46 0.01 1.61 -0.21 -1.25 -1.92 119.66 113.91 2nz4 s GLN 54 Ca 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 55.36 55.27 2nz4 s GLN 54 Cb 0.00 0.21 0.01 0.00 1.00 0.00 0.00 33.01 34.23 2nz4 s GLN 54 CO 0.00 -0.10 0.24 0.00 -2.12 0.00 0.00 175.29 173.31 2nz4 s ALA 55 N -0.68 -0.58 -0.24 6.09 0.00 0.14 -4.43 121.76 122.06 2nz4 s ALA 55 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.97 2nz4 s ALA 55 Cb -0.04 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.27 2nz4 s ALA 55 CO 0.02 -0.28 -0.13 -0.06 0.00 0.00 0.00 175.76 175.31 2nz4 s PHE 56 N -1.68 3.10 -0.29 0.00 0.40 -0.74 0.71 117.98 119.48 2nz4 s PHE 56 Ca -0.12 -2.12 -0.11 0.00 -0.60 0.00 0.00 56.93 53.99 2nz4 s PHE 56 Cb -0.05 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 2nz4 s PHE 56 CO 0.01 -0.86 0.18 0.08 0.70 0.00 0.00 175.22 175.34 2nz4 s VAL 57 N 1.16 5.08 -0.49 -0.44 1.01 -0.93 -0.80 120.40 125.00 2nz4 s VAL 57 Ca -0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 2nz4 s VAL 57 Cb -0.18 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2nz4 s VAL 57 CO -0.07 0.19 0.47 -0.63 0.00 0.00 0.00 175.10 175.05 2nz4 s ILE 58 N 1.72 5.13 0.46 2.22 1.01 0.51 -1.02 121.20 131.22 2nz4 s ILE 58 Ca 0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2nz4 s ILE 58 Cb -0.16 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 2nz4 s ILE 58 CO 0.09 -0.68 0.86 -0.36 0.00 0.00 0.00 174.94 174.85 2nz4 s PHE 59 N 1.91 3.48 0.25 3.97 0.08 -0.13 0.19 117.98 127.73 2nz4 s PHE 59 Ca 0.07 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.30 2nz4 s PHE 59 Cb -0.24 -2.56 0.30 0.00 -0.57 0.00 0.00 43.02 39.95 2nz4 s PHE 59 CO 0.07 -0.24 1.65 -0.22 -0.10 0.00 0.00 175.22 176.39 2nz4 h LYS 60 N 0.98 0.54 -6.41 0.44 3.64 -1.57 -3.44 116.57 110.75 2nz4 h LYS 60 Ca -0.47 -0.24 -0.61 0.00 -1.27 0.00 0.00 60.65 58.06 2nz4 h LYS 60 Cb 1.19 -0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.76 2nz4 h LYS 60 CO 0.63 0.80 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.55 2nz4 s GLU 61 N -4.38 1.31 0.08 1.90 0.41 -1.26 -5.05 118.70 111.71 2nz4 s GLU 61 Ca -0.07 -1.17 -0.17 0.00 -0.41 0.00 0.00 54.97 53.14 2nz4 s GLU 61 Cb 0.13 -1.61 -0.09 0.00 -1.78 0.00 0.00 34.13 30.78 2nz4 s GLU 61 CO 0.81 0.39 1.44 0.28 -0.49 0.00 0.00 175.26 177.68 2nz4 h VAL 62 N 4.08 1.30 -1.00 2.63 2.07 -1.86 -3.02 116.25 120.46 2nz4 h VAL 62 Ca -0.47 -1.24 0.38 0.00 0.82 0.00 0.00 66.70 66.19 2nz4 h VAL 62 Cb 1.17 1.57 -0.18 0.00 -1.52 0.00 0.00 31.29 32.33 2nz4 h VAL 62 CO 0.40 0.39 0.46 0.77 0.02 0.00 0.00 177.57 179.61 2nz4 h SER 63 N 0.27 0.21 -0.08 0.57 4.64 -1.96 0.83 113.55 118.02 2nz4 h SER 63 Ca 0.05 0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2nz4 h SER 63 Cb 0.66 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2nz4 h SER 63 CO 0.04 -0.39 0.01 0.28 -0.87 0.00 0.00 176.83 175.90 2nz4 h SER 64 N 0.04 0.13 -0.61 4.97 0.02 -1.74 -2.50 113.55 113.86 2nz4 h SER 64 Ca 0.79 -0.28 0.06 0.00 -0.84 0.00 0.00 61.79 61.53 2nz4 h SER 64 Cb 2.01 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.46 2nz4 h SER 64 CO -0.78 0.37 0.31 0.00 -1.14 0.00 0.00 176.83 175.60 2nz4 h ALA 65 N 0.76 0.81 -0.21 3.77 0.00 0.53 -0.49 119.26 124.43 2nz4 h ALA 65 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2nz4 h ALA 65 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2nz4 h ALA 65 CO 0.00 -0.04 0.09 1.15 0.00 0.00 0.00 179.25 180.45 2nz4 h THR 66 N 0.58 1.16 -0.29 0.00 2.02 -0.47 0.15 112.91 116.05 2nz4 h THR 66 Ca 0.28 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2nz4 h THR 66 Cb 0.22 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2nz4 h THR 66 CO -0.20 0.16 0.11 0.78 0.37 0.00 0.00 175.52 176.73 2nz4 h ASN 67 N 0.20 0.40 -0.14 4.18 2.35 -1.29 -0.29 115.58 120.99 2nz4 h ASN 67 Ca 0.07 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2nz4 h ASN 67 Cb 0.16 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2nz4 h ASN 67 CO -0.01 0.47 0.04 0.00 -1.65 0.00 0.00 177.43 176.28 2nz4 h ALA 68 N 0.94 0.14 -0.31 -0.83 0.00 -0.98 0.27 119.26 118.50 2nz4 h ALA 68 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2nz4 h ALA 68 Cb 0.20 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2nz4 h ALA 68 CO -0.01 -0.41 0.01 1.25 0.00 0.00 0.00 179.25 180.10 2nz4 h LEU 69 N 0.10 -0.09 -0.69 0.00 6.46 -0.61 -0.72 115.31 119.76 2nz4 h LEU 69 Ca 0.06 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2nz4 h LEU 69 Cb 0.04 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2nz4 h LEU 69 CO -0.07 -0.01 0.40 0.03 -0.62 0.00 0.00 178.44 178.17 2nz4 h ARG 70 N 0.11 0.95 0.01 1.25 3.08 -0.77 -2.67 114.38 116.33 2nz4 h ARG 70 Ca 0.15 -0.10 -0.27 0.00 0.07 0.00 0.00 59.98 59.83 2nz4 h ARG 70 Cb 0.19 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2nz4 h ARG 70 CO -0.24 0.69 -1.53 0.77 -1.07 0.00 0.00 179.97 178.59 2nz4 h SER 71 N 0.94 0.03 -0.37 7.04 0.02 -0.22 -3.35 113.55 117.64 2nz4 h SER 71 Ca 0.25 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2nz4 h SER 71 Cb -0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2nz4 h SER 71 CO -0.04 1.04 0.00 0.23 -1.14 0.00 0.00 176.83 176.92 2nz4 n MET 72 N -3.15 2.34 -1.56 3.45 2.81 -0.30 -4.91 117.12 115.80 2nz4 n MET 72 Ca -0.13 -2.13 -0.51 0.00 -1.81 0.00 0.00 57.70 53.11 2nz4 n MET 72 Cb 1.02 -1.43 -0.06 0.00 -0.71 0.00 0.00 33.22 32.04 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 1.20 1.38 -0.64 0.03 -0.06 -1.01 -1.72 117.38 116.56 2nz4 n GLN 73 Ca 0.17 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.61 2nz4 n GLN 73 Cb 0.53 -2.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.25 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 5.54 0.76 3.70 1.69 0.00 -0.07 -4.98 105.19 111.82 2nz4 n GLY 74 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.75 2.51 -0.24 1.61 2.19 -0.70 -4.05 117.98 116.55 2nz4 s PHE 75 Ca 0.00 0.32 -0.28 0.00 0.33 0.00 0.00 56.93 57.30 2nz4 s PHE 75 Cb 0.00 -4.00 -0.04 0.00 -1.31 0.00 0.00 43.02 37.68 2nz4 s PHE 75 CO 0.00 -3.95 1.93 -2.14 1.83 0.00 0.00 175.22 172.88 2nz4 s PRO 76 N 2.35 3.41 -0.09 10.12 0.02 -1.26 -2.25 135.00 147.30 2nz4 s PRO 76 Ca 0.74 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 2nz4 s PRO 76 Cb -0.42 -4.23 0.03 0.00 0.02 0.00 0.00 34.50 29.90 2nz4 s PRO 76 CO 0.33 -1.77 -0.02 0.12 -0.33 0.00 0.00 177.00 175.33 2nz4 s PHE 77 N 6.88 0.93 -1.58 6.54 5.36 -0.85 -4.72 117.98 130.55 2nz4 s PHE 77 Ca 0.86 -0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 56.37 2nz4 s PHE 77 Cb -0.28 -0.94 0.09 0.00 -0.34 0.00 0.00 43.02 41.54 2nz4 s PHE 77 CO 0.34 -0.39 0.60 0.66 -1.46 0.00 0.00 175.22 174.96 2nz4 n TYR 78 N 5.08 -1.68 -1.03 10.12 4.01 -1.26 -2.19 117.16 130.21 2nz4 n TYR 78 Ca -0.09 0.77 -0.01 0.00 -0.16 0.00 0.00 57.90 58.41 2nz4 n TYR 78 Cb 0.50 -3.26 -0.00 0.00 -0.31 0.00 0.00 39.34 36.26 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 -2.80 -4.07 -3.86 7.72 8.00 -1.26 -4.67 116.55 115.61 2nz4 n ASP 79 Ca -0.10 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.27 2nz4 n ASP 79 Cb 0.58 -1.66 -0.15 0.00 -0.02 0.00 0.00 41.12 39.87 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 -1.00 0.25 -0.10 -1.24 1.02 -0.93 -5.09 119.74 112.66 2nz4 s LYS 80 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 2nz4 s LYS 80 Cb 0.00 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 2nz4 s LYS 80 CO 0.00 -0.05 1.37 -1.25 -0.92 0.00 0.00 175.35 174.51 2nz4 s PRO 81 N 0.53 4.24 0.26 -1.68 0.04 -1.26 -2.00 135.00 135.13 2nz4 s PRO 81 Ca -0.05 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2nz4 s PRO 81 Cb -0.08 -3.76 -0.10 0.00 0.04 0.00 0.00 34.50 30.60 2nz4 s PRO 81 CO -0.01 -0.69 1.50 -1.64 0.04 0.00 0.00 177.00 176.20 2nz4 s MET 82 N 3.28 4.22 -0.38 4.56 -1.94 -0.95 -4.81 119.30 123.26 2nz4 s MET 82 Ca 0.61 2.40 -0.14 0.00 -1.71 0.00 0.00 55.69 56.85 2nz4 s MET 82 Cb -0.27 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.50 2nz4 s MET 82 CO 0.21 -0.50 0.27 0.50 -0.01 0.00 0.00 175.02 175.49 2nz4 s ARG 83 N -0.32 3.14 -0.18 2.03 6.06 -0.79 -0.90 118.95 127.99 2nz4 s ARG 83 Ca 0.61 -0.90 -0.03 0.00 -2.50 0.00 0.00 55.73 52.92 2nz4 s ARG 83 Cb -0.44 -3.90 -0.01 0.00 0.06 0.00 0.00 34.95 30.66 2nz4 s ARG 83 CO 0.44 -0.64 -0.07 0.42 -2.50 0.00 0.00 175.30 172.95 2nz4 s ILE 84 N 1.68 3.37 0.43 4.11 1.01 -1.26 -0.60 121.20 129.95 2nz4 s ILE 84 Ca 0.05 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2nz4 s ILE 84 Cb -0.18 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2nz4 s ILE 84 CO 0.10 0.46 0.03 -1.10 0.00 0.00 0.00 174.94 174.44 2nz4 s GLN 85 N 0.97 1.98 0.31 2.79 -0.21 -0.68 -4.98 119.66 119.84 2nz4 s GLN 85 Ca -0.01 -2.18 -0.27 0.00 0.02 0.00 0.00 55.36 52.92 2nz4 s GLN 85 Cb -0.15 -1.32 -0.09 0.00 1.00 0.00 0.00 33.01 32.45 2nz4 s GLN 85 CO 0.00 -0.24 0.98 0.71 -2.12 0.00 0.00 175.29 174.63 2nz4 s TYR 86 N -2.94 3.66 0.45 0.91 2.02 -1.26 -0.55 117.35 119.64 2nz4 s TYR 86 Ca 0.24 1.78 -0.25 0.00 -0.37 0.00 0.00 57.07 58.46 2nz4 s TYR 86 Cb 0.06 -3.02 -0.08 0.00 -0.40 0.00 0.00 41.96 38.51 2nz4 s TYR 86 CO 0.12 0.01 1.45 0.00 -1.57 0.00 0.00 175.55 175.56 2nz4 n ALA 87 N 0.72 2.12 -0.16 3.71 0.00 -0.91 -4.59 120.51 121.41 2nz4 n ALA 87 Ca 0.01 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 2nz4 n ALA 87 Cb 0.49 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.54 2nz4 n ALA 87 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2nz4 h LYS 88 N 2.36 0.64 -4.99 0.00 6.56 -1.95 -3.45 116.57 115.73 2nz4 h LYS 88 Ca -0.51 -0.06 -0.41 0.00 -1.06 0.00 0.00 60.65 58.61 2nz4 h LYS 88 Cb 1.27 -0.13 -0.14 0.00 -0.57 0.00 0.00 32.23 32.65 2nz4 h LYS 88 CO 0.61 0.47 -0.60 0.95 -2.06 0.00 0.00 179.45 178.82 2nz4 s THR 89 N -5.98 0.71 0.40 -0.16 -4.23 -1.26 -5.12 115.64 100.00 2nz4 s THR 89 Ca -0.13 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.12 2nz4 s THR 89 Cb 0.11 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.22 2nz4 s THR 89 CO 0.74 0.00 1.31 -1.81 -0.54 0.00 0.00 174.62 174.32 2nz4 s ASP 90 N -3.39 6.36 0.28 3.99 1.01 -1.26 -4.96 116.67 118.69 2nz4 s ASP 90 Ca 0.36 2.66 -0.29 0.00 0.71 0.00 0.00 52.55 55.99 2nz4 s ASP 90 Cb 0.07 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 2nz4 s ASP 90 CO 0.15 -0.82 1.39 -0.44 0.21 0.00 0.00 175.17 175.66 2nz4 s SER 91 N -0.70 6.68 0.43 0.27 0.01 -1.26 -4.90 113.70 114.22 2nz4 s SER 91 Ca 0.56 2.69 0.29 0.00 1.31 0.00 0.00 55.95 60.80 2nz4 s SER 91 Cb -0.38 -2.63 1.50 0.00 0.21 0.00 0.00 66.02 64.72 2nz4 s SER 91 CO 0.49 -0.65 1.89 -2.24 0.41 0.00 0.00 173.24 173.15 2nz4 h ASP 92 N 4.40 0.00 1.22 2.44 -0.00 -1.99 0.13 116.42 122.62 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 0.73 0.00 -0.01 -0.29 -0.00 0.00 0.00 179.24 179.67 2nz4 h ILE 93 N 0.00 0.03 0.18 4.15 2.10 -2.01 -2.42 117.51 119.54 2nz4 h ILE 93 Ca 0.00 -0.65 -0.35 0.00 1.08 0.00 0.00 64.86 64.94 2nz4 h ILE 93 Cb 0.11 1.63 0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2nz4 h ILE 93 CO 0.00 0.01 -1.73 0.40 -1.08 0.00 0.00 178.15 175.75 2nz4 h ILE 94 N 0.00 0.96 0.00 2.19 1.08 -1.11 -3.38 117.51 117.25 2nz4 h ILE 94 Ca -0.00 -2.54 -0.09 0.00 -0.39 0.00 0.00 64.86 61.84 2nz4 h ILE 94 Cb 0.63 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.13 2nz4 h ILE 94 CO 0.00 0.85 -0.41 0.00 -0.69 0.00 0.00 178.15 177.90 2nz4 h ALA 95 N 0.15 1.30 0.17 1.87 0.00 -1.45 -3.27 119.26 118.03 2nz4 h ALA 95 Ca -0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2nz4 h ALA 95 Cb 2.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2nz4 h ALA 95 CO 0.18 0.52 -0.08 1.57 0.00 0.00 0.00 179.25 181.44 2nz4 h LYS 96 N 0.00 -0.21 0.00 0.00 5.09 -1.61 -3.52 116.57 116.32 2nz4 h LYS 96 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.75 2nz4 h LYS 96 Cb 0.74 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.12 2nz4 h LYS 96 CO 0.05 -0.04 0.00 0.00 -2.09 0.00 0.00 179.45 177.38