#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hir s VAL 2 N 0.00 4.83 0.00 2.52 1.01 -1.26 -5.09 120.40 122.42 4hir s VAL 2 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 4hir s VAL 2 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 4hir s VAL 2 CO 0.00 -0.56 0.00 -1.22 0.00 0.00 0.00 175.10 173.32 4hir n TYR 3 N -1.93 -1.48 -2.71 5.22 4.02 -1.26 -5.13 117.16 113.89 4hir n TYR 3 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.64 4hir n TYR 3 Cb 0.56 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.99 4hir n TYR 3 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 4hir n THR 4 N -0.49 0.00 -3.40 -0.72 -2.24 -1.26 -4.88 114.28 101.28 4hir n THR 4 Ca 0.00 -1.64 -0.28 0.00 -2.27 0.00 0.00 64.05 59.86 4hir n THR 4 Cb 0.00 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 4hir n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 4hir s ASP 5 N -4.91 6.43 1.10 3.42 1.11 -1.26 -2.27 116.67 120.29 4hir s ASP 5 Ca 0.64 0.66 -0.18 0.00 0.18 0.00 0.00 52.55 53.85 4hir s ASP 5 Cb -0.04 -2.12 0.26 0.00 1.07 0.00 0.00 42.92 42.09 4hir s ASP 5 CO 0.42 -0.17 1.24 0.00 1.18 0.00 0.00 175.17 177.84 4hir n THR 7 N -4.29 0.00 -3.48 0.00 -2.24 -1.26 -4.97 114.28 98.04 4hir n THR 7 Ca 0.16 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 4hir n THR 7 Cb 0.59 1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 70.32 4hir n THR 7 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 4hir s GLU 8 N -0.07 1.04 0.83 -0.78 2.02 -1.26 -5.15 118.70 115.33 4hir s GLU 8 Ca 0.00 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 4hir s GLU 8 Cb 0.00 0.48 0.21 0.00 0.10 0.00 0.00 34.13 34.93 4hir s GLU 8 CO 0.00 -0.42 0.55 0.43 0.02 0.00 0.00 175.26 175.83 4hir n SER 9 N 0.02 -2.87 0.00 -0.19 7.64 -1.26 -3.76 113.62 113.21 4hir n SER 9 Ca -0.14 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.12 4hir n SER 9 Cb 0.62 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 4hir n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4hir n GLY 10 N -2.99 0.77 0.93 0.23 0.00 0.51 -4.84 105.19 99.79 4hir n GLY 10 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 4hir n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4hir n GLN 11 N 0.00 -1.38 0.16 1.61 3.00 -1.25 -3.67 117.38 115.85 4hir n GLN 11 Ca 0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 4hir n GLN 11 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 30.24 29.74 4hir n GLN 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 4hir n ASN 12 N -2.39 -2.05 -2.09 1.08 3.02 -0.98 -2.50 115.26 109.35 4hir n ASN 12 Ca 0.03 0.59 -0.09 0.00 -0.03 0.00 0.00 54.58 55.08 4hir n ASN 12 Cb 0.13 2.04 -0.13 0.00 -0.61 0.00 0.00 39.78 41.20 4hir n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 4hir n LEU 13 N -3.26 4.12 0.00 3.41 4.77 -1.22 -3.62 117.00 121.19 4hir n LEU 13 Ca 0.00 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 4hir n LEU 13 Cb 0.00 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 4hir n LEU 13 CO 0.00 1.22 0.00 0.00 -1.33 0.00 0.00 177.39 177.28 4hir s LEU 15 N 0.00 3.14 -0.12 0.00 1.43 -0.96 -3.44 118.68 118.73 4hir s LEU 15 Ca 0.00 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 51.69 4hir s LEU 15 Cb 0.00 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.79 4hir s LEU 15 CO 0.00 -0.23 -0.14 0.00 0.23 0.00 0.00 176.35 176.21 4hir n GLU 17 N -3.32 3.43 0.00 0.00 2.13 -1.21 -4.46 120.64 117.21 4hir n GLU 17 Ca -0.23 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.08 4hir n GLU 17 Cb 0.69 -3.04 0.00 0.00 0.27 0.00 0.00 31.44 29.35 4hir n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4hir n GLY 18 N 3.52 1.54 0.41 8.31 0.00 -1.26 -1.96 105.19 115.75 4hir n GLY 18 Ca 0.41 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.48 4hir n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4hir n SER 19 N 9.87 1.85 -4.80 1.61 2.88 -1.26 -4.87 113.62 118.89 4hir n SER 19 Ca 0.00 -1.43 -0.36 0.00 -1.33 0.00 0.00 58.87 55.76 4hir n SER 19 Cb 0.00 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 4hir n SER 19 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 4hir s ASN 20 N -0.88 7.13 0.21 -3.46 0.01 -0.83 -4.93 114.94 112.19 4hir s ASN 20 Ca 0.12 1.61 -0.23 0.00 -0.71 0.00 0.00 52.86 53.64 4hir s ASN 20 Cb 0.09 -2.49 -0.08 0.00 0.41 0.00 0.00 41.25 39.17 4hir s ASN 20 CO 0.13 -0.08 0.78 -0.69 -1.51 0.00 0.00 177.10 175.74 4hir s VAL 21 N -1.68 4.42 0.04 1.60 1.01 -1.26 -2.62 120.40 121.90 4hir s VAL 21 Ca 0.49 1.57 0.04 0.00 0.00 0.00 0.00 61.98 64.07 4hir s VAL 21 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 4hir s VAL 21 CO 0.21 0.36 -0.04 0.00 0.00 0.00 0.00 175.10 175.63 4hir n GLY 23 N 1.17 3.05 3.97 0.00 0.00 -1.26 -3.41 105.19 108.71 4hir n GLY 23 Ca -0.14 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 4hir n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4hir s GLN 24 N 3.03 2.43 0.00 1.61 0.74 -1.26 -4.06 119.66 122.15 4hir s GLN 24 Ca 0.00 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.61 4hir s GLN 24 Cb 0.00 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.65 4hir s GLN 24 CO 0.00 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.33 4hir n GLY 25 N -2.42 1.77 4.01 2.59 0.00 -1.26 -4.91 105.19 104.97 4hir n GLY 25 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 4hir n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4hir s ASN 26 N 0.02 5.38 -0.06 1.61 2.20 -1.26 -2.62 114.94 120.22 4hir s ASN 26 Ca 0.00 -0.63 0.03 0.00 -0.94 0.00 0.00 52.86 51.32 4hir s ASN 26 Cb 0.00 -0.23 0.01 0.00 -2.00 0.00 0.00 41.25 39.03 4hir s ASN 26 CO 0.00 -1.01 -0.13 -0.75 -2.94 0.00 0.00 177.10 172.28 4hir s LYS 27 N -4.47 1.62 0.26 3.55 2.20 0.43 -4.04 119.74 119.28 4hir s LYS 27 Ca 0.57 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 4hir s LYS 27 Cb -0.08 -1.36 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 4hir s LYS 27 CO 0.35 0.07 0.52 0.00 -0.36 0.00 0.00 175.35 175.93 4hir s ILE 29 N -1.99 0.26 0.10 0.00 -1.09 0.58 0.19 121.20 119.25 4hir s ILE 29 Ca 0.43 -2.49 -0.30 0.00 -2.23 0.00 0.00 60.65 56.07 4hir s ILE 29 Cb -0.11 -1.19 -0.06 0.00 -1.58 0.00 0.00 42.46 39.53 4hir s ILE 29 CO 0.28 -1.17 1.02 -1.48 -1.23 0.00 0.00 174.94 172.36 4hir s LEU 30 N 0.20 4.47 -0.27 2.97 0.05 -1.26 -0.86 118.68 123.97 4hir s LEU 30 Ca 0.31 1.86 -0.01 0.00 0.05 0.00 0.00 54.13 56.34 4hir s LEU 30 Cb 0.01 -3.59 0.00 0.00 -2.05 0.00 0.00 46.19 40.56 4hir s LEU 30 CO -0.17 -0.17 0.03 0.61 -0.55 0.00 0.00 176.35 176.10 4hir n GLY 31 N 2.39 -3.62 0.00 -3.48 0.00 0.11 -4.12 105.19 96.47 4hir n GLY 31 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.49 4hir n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4hir n SER 32 N 0.75 0.00 -3.47 1.61 2.88 0.46 -4.43 113.62 111.41 4hir n SER 32 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.18 4hir n SER 32 Cb 0.09 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 4hir n SER 32 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 4hir n ASP 33 N 0.00 4.78 -0.18 -3.46 2.03 -1.26 -3.07 116.55 115.39 4hir n ASP 33 Ca 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 54.79 52.68 4hir n ASP 33 Cb 0.00 -1.34 -0.00 0.00 -0.72 0.00 0.00 41.12 39.05 4hir n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 4hir n GLY 34 N 4.02 0.39 0.00 0.27 0.00 -1.26 -4.99 105.19 103.62 4hir n GLY 34 Ca 0.55 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.68 4hir n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 4hir n GLU 35 N -1.94 1.45 -1.39 1.61 1.02 -1.17 -5.12 120.64 115.09 4hir n GLU 35 Ca -0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 4hir n GLU 35 Cb 0.32 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.78 4hir n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 4hir n LYS 36 N 0.00 0.50 -3.59 3.49 4.76 -1.26 -3.84 118.16 118.22 4hir n LYS 36 Ca 0.00 -0.97 -0.20 0.00 -2.87 0.00 0.00 58.31 54.27 4hir n LYS 36 Cb 0.00 -0.19 -0.01 0.00 -1.84 0.00 0.00 35.03 32.99 4hir n LYS 36 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 4hir s ASN 37 N -2.36 5.86 0.09 4.39 -0.87 -1.26 0.17 114.94 120.96 4hir s ASN 37 Ca 0.22 -0.23 -0.26 0.00 -1.57 0.00 0.00 52.86 51.03 4hir s ASN 37 Cb -0.01 -1.23 0.08 0.00 -0.02 0.00 0.00 41.25 40.06 4hir s ASN 37 CO 0.15 -0.38 0.67 -1.58 -2.57 0.00 0.00 177.10 173.39 4hir s GLN 38 N -4.12 1.14 -0.52 -0.60 0.74 -0.04 -4.79 119.66 111.48 4hir s GLN 38 Ca 0.43 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.56 4hir s GLN 38 Cb -0.09 0.53 0.13 0.00 1.10 0.00 0.00 33.01 34.69 4hir s GLN 38 CO 0.30 -0.47 0.28 0.00 -0.55 0.00 0.00 175.29 174.84 4hir s VAL 40 N 0.01 5.24 0.85 0.00 0.11 0.18 -4.90 120.40 121.89 4hir s VAL 40 Ca 0.16 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.20 4hir s VAL 40 Cb -0.23 -3.34 0.07 0.00 -1.53 0.00 0.00 36.38 31.35 4hir s VAL 40 CO -0.02 0.52 0.94 1.07 -3.33 0.00 0.00 175.10 174.27 4hir n THR 41 N 2.86 1.21 0.00 5.04 5.66 -1.26 0.16 114.28 127.96 4hir n THR 41 Ca -0.18 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 4hir n THR 41 Cb 0.53 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 68.33 4hir n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 4hir n GLY 42 N 0.85 0.00 3.15 1.09 0.00 -1.08 -4.22 105.19 104.99 4hir n GLY 42 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.13 4hir n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4hir s GLU 43 N 0.00 0.56 0.17 1.61 -6.30 -1.25 -4.55 118.70 108.93 4hir s GLU 43 Ca 0.00 0.85 0.00 0.00 -2.50 0.00 0.00 54.97 53.32 4hir s GLU 43 Cb 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 34.13 34.58 4hir s GLU 43 CO 0.00 -0.76 0.21 0.41 0.02 0.00 0.00 175.26 175.14 4hir n GLY 44 N 5.43 2.88 3.69 -1.50 0.00 -1.26 -4.89 105.19 109.54 4hir n GLY 44 Ca 0.01 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 4hir n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 4hir s THR 45 N -2.62 4.22 0.22 2.61 -1.32 -1.25 -4.81 115.64 112.67 4hir s THR 45 Ca 0.15 -0.58 -0.31 0.00 -1.21 0.00 0.00 61.69 59.75 4hir s THR 45 Cb -0.00 -2.89 -0.10 0.00 -1.51 0.00 0.00 72.50 68.00 4hir s THR 45 CO 0.11 0.37 1.54 -2.16 -2.21 0.00 0.00 174.62 172.27 4hir s PRO 46 N -1.57 4.21 -0.23 7.08 0.04 -1.26 -2.33 135.00 140.94 4hir s PRO 46 Ca 0.20 2.39 -0.35 0.00 0.04 0.00 0.00 61.00 63.29 4hir s PRO 46 Cb -0.12 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 4hir s PRO 46 CO 0.11 -0.56 2.03 -1.91 0.04 0.00 0.00 177.00 176.71 4hir n GLU 47 N 3.15 1.58 -1.74 4.56 2.13 -1.26 -4.77 120.64 124.29 4hir n GLU 47 Ca 0.11 0.52 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 4hir n GLU 47 Cb 0.39 -2.58 -0.03 0.00 0.27 0.00 0.00 31.44 29.49 4hir n GLU 47 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 4hir s PRO 48 N 5.16 3.57 0.00 5.31 0.02 -1.26 -4.78 135.00 143.02 4hir s PRO 48 Ca 1.01 2.11 0.00 0.00 0.02 0.00 0.00 61.00 64.15 4hir s PRO 48 Cb -0.76 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 29.52 4hir s PRO 48 CO 0.50 -1.59 0.45 0.00 -0.33 0.00 0.00 177.00 176.04