#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nea s GLU 2 N 0.00 0.96 0.28 1.96 2.02 -1.26 -1.92 118.70 120.74 1nea s GLU 2 Ca 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 53.99 1nea s GLU 2 Cb 0.00 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.14 1nea s GLU 2 CO 0.00 0.24 0.27 0.00 0.02 0.00 0.00 175.26 175.80 1nea s HIS 4 N -3.66 2.96 -0.41 0.00 3.76 -1.26 -2.31 115.29 114.37 1nea s HIS 4 Ca 0.37 -0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.27 1nea s HIS 4 Cb 0.03 -1.42 0.31 0.00 1.11 0.00 0.00 32.58 32.61 1nea s HIS 4 CO 0.20 0.53 0.78 0.27 -0.85 0.00 0.00 174.74 175.67 1nea n ASN 5 N -0.32 -0.50 -4.64 1.40 6.94 -0.99 -4.61 115.26 112.55 1nea n ASN 5 Ca -0.09 -3.12 -0.42 0.00 -0.02 0.00 0.00 54.58 50.93 1nea n ASN 5 Cb 0.55 0.25 -0.04 0.00 -2.36 0.00 0.00 39.78 38.18 1nea n ASN 5 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1nea s GLN 6 N -1.14 4.16 -0.08 -3.83 0.74 -1.26 -4.58 119.66 113.66 1nea s GLN 6 Ca 0.34 0.93 -0.05 0.00 0.05 0.00 0.00 55.36 56.63 1nea s GLN 6 Cb 0.28 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1nea s GLN 6 CO -0.10 -0.55 0.14 -0.65 -0.55 0.00 0.00 175.29 173.57 1nea s GLN 7 N 2.90 3.38 0.00 1.67 -0.21 -1.26 -4.65 119.66 121.50 1nea s GLN 7 Ca 0.35 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.51 1nea s GLN 7 Cb -0.15 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1nea s GLN 7 CO 0.08 0.74 0.00 0.45 -2.12 0.00 0.00 175.29 174.44 1nea n SER 8 N 1.65 0.00 0.00 5.90 2.88 -1.26 -0.73 113.62 122.06 1nea n SER 8 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1nea n SER 8 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1nea n SER 8 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nea n SER 9 N 0.00 0.84 -4.88 -3.46 3.41 -1.26 -5.08 113.62 103.19 1nea n SER 9 Ca 0.00 -1.42 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 1nea n SER 9 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1nea n SER 9 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nea s GLN 10 N -0.42 3.20 0.92 4.33 -1.52 0.10 -5.04 119.66 121.23 1nea s GLN 10 Ca 0.00 0.51 -0.11 0.00 -1.95 0.00 0.00 55.36 53.81 1nea s GLN 10 Cb 0.00 -2.09 0.14 0.00 -0.22 0.00 0.00 33.01 30.84 1nea s GLN 10 CO 0.00 -0.77 1.09 -2.14 -0.25 0.00 0.00 175.29 173.22 1nea s PRO 11 N -5.21 1.05 0.49 2.91 0.02 -1.26 -4.59 135.00 128.41 1nea s PRO 11 Ca 0.56 0.90 -0.22 0.00 0.02 0.00 0.00 61.00 62.25 1nea s PRO 11 Cb -0.11 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1nea s PRO 11 CO 0.52 -2.40 1.21 -1.25 -0.33 0.00 0.00 177.00 174.74 1nea s PRO 12 N -4.86 3.57 0.05 5.54 0.04 -1.26 -4.77 135.00 133.31 1nea s PRO 12 Ca 0.64 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.53 1nea s PRO 12 Cb -0.19 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1nea s PRO 12 CO 0.58 -0.74 0.03 0.95 0.04 0.00 0.00 177.00 177.87 1nea s THR 13 N -1.50 0.17 0.12 1.26 -4.23 -1.26 -5.05 115.64 105.15 1nea s THR 13 Ca 0.66 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1nea s THR 13 Cb -0.31 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1nea s THR 13 CO 0.37 -0.79 -0.08 0.42 -0.54 0.00 0.00 174.62 174.00 1nea s THR 14 N -3.27 0.92 0.09 3.99 -4.23 -1.26 -2.34 115.64 109.54 1nea s THR 14 Ca 0.01 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1nea s THR 14 Cb 0.03 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 1nea s THR 14 CO -0.08 -0.79 0.08 -0.54 -0.54 0.00 0.00 174.62 172.75 1nea s LYS 15 N -3.70 0.79 -0.06 3.99 -0.14 -0.98 -4.94 119.74 114.70 1nea s LYS 15 Ca 0.13 -1.18 0.04 0.00 -1.36 0.00 0.00 55.97 53.61 1nea s LYS 15 Cb 0.03 0.27 -0.00 0.00 -1.68 0.00 0.00 37.83 36.45 1nea s LYS 15 CO -0.02 -0.21 -0.18 0.95 -0.76 0.00 0.00 175.35 175.13 1nea s THR 16 N -3.93 1.54 -0.47 2.17 -4.23 -1.26 -2.36 115.64 107.11 1nea s THR 16 Ca 0.10 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1nea s THR 16 Cb 0.07 -1.34 0.29 0.00 1.34 0.00 0.00 72.50 72.86 1nea s THR 16 CO -0.07 0.44 0.70 0.00 -0.54 0.00 0.00 174.62 175.15 1nea s PRO 18 N -2.19 2.24 0.00 0.00 0.04 -1.26 -2.04 135.00 131.80 1nea s PRO 18 Ca 0.40 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1nea s PRO 18 Cb 0.24 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1nea s PRO 18 CO -0.09 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.05 1nea n GLY 19 N 6.16 0.92 3.91 0.56 0.00 -1.26 -4.96 105.19 110.52 1nea n GLY 19 Ca 0.34 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 1nea n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nea s GLU 20 N 0.00 3.22 -0.01 1.61 2.02 -0.86 -5.03 118.70 119.66 1nea s GLU 20 Ca 0.00 -0.87 0.05 0.00 0.02 0.00 0.00 54.97 54.17 1nea s GLU 20 Cb 0.00 -2.76 0.13 0.00 0.10 0.00 0.00 34.13 31.60 1nea s GLU 20 CO 0.00 0.42 1.10 2.41 0.02 0.00 0.00 175.26 179.22 1nea n THR 21 N -1.25 1.06 -4.05 3.63 -1.04 -1.26 -3.28 114.28 108.10 1nea n THR 21 Ca -0.08 -1.06 -0.09 0.00 -2.04 0.00 0.00 64.05 60.77 1nea n THR 21 Cb 0.57 0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 69.46 1nea n THR 21 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1nea s ASN 22 N -1.08 0.18 0.18 8.00 -0.87 -1.26 -4.72 114.94 115.37 1nea s ASN 22 Ca 0.10 -1.02 0.05 0.00 -1.57 0.00 0.00 52.86 50.42 1nea s ASN 22 Cb 0.06 0.36 -0.05 0.00 -0.02 0.00 0.00 41.25 41.60 1nea s ASN 22 CO 0.06 -0.80 -0.09 0.00 -2.57 0.00 0.00 177.10 173.70 1nea s TYR 24 N -3.26 1.82 -0.02 0.00 -0.85 -0.34 -2.36 117.35 112.35 1nea s TYR 24 Ca 0.20 -0.72 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1nea s TYR 24 Cb 0.02 -1.01 0.00 0.00 0.38 0.00 0.00 41.96 41.36 1nea s TYR 24 CO 0.04 0.22 -0.08 0.15 -1.52 0.00 0.00 175.55 174.36 1nea s LYS 25 N -3.74 0.81 0.04 -3.49 1.02 -0.82 -2.11 119.74 111.45 1nea s LYS 25 Ca 0.28 -0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.04 1nea s LYS 25 Cb 0.03 -0.78 -0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1nea s LYS 25 CO 0.10 0.12 -0.14 0.15 -0.92 0.00 0.00 175.35 174.66 1nea s LYS 26 N 0.11 0.95 -0.04 1.68 1.02 -0.93 -1.97 119.74 120.56 1nea s LYS 26 Ca -0.01 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 1nea s LYS 26 Cb -0.07 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1nea s LYS 26 CO 0.00 0.24 0.12 0.08 -0.92 0.00 0.00 175.35 174.87 1nea s VAL 27 N -0.85 0.01 0.15 3.17 1.01 -1.00 -2.28 120.40 120.61 1nea s VAL 27 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1nea s VAL 27 Cb -0.08 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1nea s VAL 27 CO 0.01 -0.05 0.44 -1.66 0.00 0.00 0.00 175.10 173.84 1nea s TRP 28 N -0.13 -0.18 0.24 5.22 -2.14 -1.03 -2.41 118.94 118.50 1nea s TRP 28 Ca -0.02 -0.14 0.11 0.00 2.66 0.00 0.00 56.10 58.71 1nea s TRP 28 Cb -0.02 0.30 -0.05 0.00 -3.10 0.00 0.00 33.47 30.61 1nea s TRP 28 CO 0.00 -0.77 -0.20 1.03 -2.66 0.00 0.00 176.95 174.35 1nea s ARG 29 N -3.83 1.55 0.13 3.25 0.52 -1.26 -2.33 118.95 116.99 1nea s ARG 29 Ca 0.05 -1.65 -0.01 0.00 -0.52 0.00 0.00 55.73 53.60 1nea s ARG 29 Cb 0.01 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.81 1nea s ARG 29 CO -0.09 0.33 0.20 -3.47 0.02 0.00 0.00 175.30 172.29 1nea n ASP 30 N -0.25 -0.56 0.03 0.23 2.03 -0.53 -5.00 116.55 112.50 1nea n ASP 30 Ca -0.08 -1.69 -0.05 0.00 0.52 0.00 0.00 54.79 53.49 1nea n ASP 30 Cb 0.59 1.03 0.15 0.00 -0.72 0.00 0.00 41.12 42.16 1nea n ASP 30 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1nea h HIS 31 N 1.38 0.51 -0.16 -0.67 3.86 -2.03 -3.24 115.15 114.80 1nea h HIS 31 Ca -0.11 -0.15 -0.18 0.00 -1.16 0.00 0.00 60.37 58.78 1nea h HIS 31 Cb 0.45 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 28.81 1nea h HIS 31 CO 0.00 0.78 -0.62 -0.09 0.86 0.00 0.00 177.93 178.86 1nea h ARG 32 N 0.36 0.70 0.00 2.45 1.12 -2.04 -3.49 114.38 113.47 1nea h ARG 32 Ca 0.03 -0.54 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1nea h ARG 32 Cb 0.88 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.94 1nea h ARG 32 CO 0.07 1.16 0.00 0.41 -3.11 0.00 0.00 179.97 178.50 1nea n GLY 33 N 0.63 -0.77 3.33 2.80 0.00 -1.22 -5.17 105.19 104.79 1nea n GLY 33 Ca -0.07 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1nea n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nea s THR 34 N -4.00 0.81 0.12 2.61 -1.32 -1.26 -1.45 115.64 111.15 1nea s THR 34 Ca 0.00 -2.01 -0.06 0.00 -1.21 0.00 0.00 61.69 58.41 1nea s THR 34 Cb 0.00 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1nea s THR 34 CO 0.00 -0.17 0.17 -0.63 -2.21 0.00 0.00 174.62 171.78 1nea s ILE 35 N -3.57 0.12 0.03 5.08 1.01 -0.98 -5.01 121.20 117.87 1nea s ILE 35 Ca 0.33 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.52 1nea s ILE 35 Cb 0.07 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1nea s ILE 35 CO 0.11 -0.53 -0.06 -0.63 0.00 0.00 0.00 174.94 173.83 1nea s ILE 36 N -3.94 0.39 0.20 2.92 1.01 -1.26 -2.48 121.20 118.04 1nea s ILE 36 Ca 0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1nea s ILE 36 Cb 0.05 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 1nea s ILE 36 CO -0.04 -0.35 0.36 -1.83 0.00 0.00 0.00 174.94 173.08 1nea s GLU 37 N -1.33 1.32 0.16 2.79 -1.05 -0.97 -4.41 118.70 115.21 1nea s GLU 37 Ca -0.10 -1.22 0.05 0.00 -0.15 0.00 0.00 54.97 53.55 1nea s GLU 37 Cb -0.09 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1nea s GLU 37 CO -0.00 -0.52 -0.10 1.03 0.95 0.00 0.00 175.26 176.63 1nea s ARG 38 N -4.00 1.09 0.05 -4.83 0.52 -1.26 -2.18 118.95 108.34 1nea s ARG 38 Ca 0.20 -1.47 -0.06 0.00 -0.52 0.00 0.00 55.73 53.88 1nea s ARG 38 Cb 0.02 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.86 1nea s ARG 38 CO 0.04 0.07 0.28 0.41 0.02 0.00 0.00 175.30 176.12 1nea n GLY 39 N -0.22 1.08 3.72 -3.53 0.00 -0.90 -4.92 105.19 100.42 1nea n GLY 39 Ca -0.10 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1nea n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea n GLY 41 N 1.79 -2.53 2.55 0.00 0.00 -0.89 -4.76 105.19 101.35 1nea n GLY 41 Ca -0.17 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 1nea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea n PRO 43 N 1.95 -3.44 -1.52 0.00 -0.02 -1.26 -5.07 135.00 125.64 1nea n PRO 43 Ca 0.17 -1.18 -0.29 0.00 -2.02 0.00 0.00 63.50 60.18 1nea n PRO 43 Cb 0.57 -1.32 0.13 0.00 -0.02 0.00 0.00 33.50 32.86 1nea n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nea s THR 44 N -2.12 2.21 0.37 3.45 -4.23 -1.26 -5.07 115.64 108.99 1nea s THR 44 Ca 0.51 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.17 1nea s THR 44 Cb -0.07 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1nea s THR 44 CO 0.41 -0.09 0.23 -0.69 -0.54 0.00 0.00 174.62 173.94 1nea s VAL 45 N -3.24 2.87 -0.01 2.29 1.01 -1.26 -5.02 120.40 117.05 1nea s VAL 45 Ca 0.63 -1.56 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1nea s VAL 45 Cb -0.15 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1nea s VAL 45 CO 0.54 -0.10 0.47 -0.54 0.00 0.00 0.00 175.10 175.47 1nea s LYS 46 N -3.95 0.88 0.10 2.72 1.02 -1.26 -5.10 119.74 114.15 1nea s LYS 46 Ca 0.41 -0.08 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 1nea s LYS 46 Cb -0.02 0.40 -0.08 0.00 -0.52 0.00 0.00 37.83 37.61 1nea s LYS 46 CO 0.24 -0.28 1.52 -1.25 -0.92 0.00 0.00 175.35 174.67 1nea s PRO 47 N -1.60 4.25 0.00 -1.68 0.04 -1.26 -2.33 135.00 132.42 1nea s PRO 47 Ca -0.10 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1nea s PRO 47 Cb -0.02 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1nea s PRO 47 CO 0.04 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1nea n GLY 48 N 3.73 1.90 3.55 0.56 0.00 -1.26 -5.07 105.19 108.60 1nea n GLY 48 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1nea n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nea s ILE 49 N -1.91 2.71 0.06 -0.61 1.01 -0.98 -4.51 121.20 116.96 1nea s ILE 49 Ca 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 60.65 58.52 1nea s ILE 49 Cb 0.00 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1nea s ILE 49 CO 0.00 -0.33 -0.14 -0.54 0.00 0.00 0.00 174.94 173.93 1nea s LYS 50 N -3.60 0.85 0.12 2.79 1.02 -1.01 -4.59 119.74 115.31 1nea s LYS 50 Ca 0.32 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 1nea s LYS 50 Cb -0.03 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1nea s LYS 50 CO 0.17 0.20 0.03 -1.17 -0.92 0.00 0.00 175.35 173.65 1nea s LEU 51 N -1.50 2.00 -0.07 3.17 0.20 -1.26 -2.38 118.68 118.85 1nea s LEU 51 Ca -0.01 -1.15 -0.21 0.00 0.69 0.00 0.00 54.13 53.45 1nea s LEU 51 Cb -0.09 0.22 0.05 0.00 -0.43 0.00 0.00 46.19 45.93 1nea s LEU 51 CO 0.02 -0.67 0.48 0.20 -0.29 0.00 0.00 176.35 176.09 1nea s ASN 52 N -3.04 -0.43 0.06 3.68 0.01 -0.83 -5.01 114.94 109.39 1nea s ASN 52 Ca 0.20 0.53 0.01 0.00 -0.71 0.00 0.00 52.86 52.89 1nea s ASN 52 Cb 0.07 0.56 -0.03 0.00 0.41 0.00 0.00 41.25 42.26 1nea s ASN 52 CO -0.01 -0.44 -0.06 0.00 -1.51 0.00 0.00 177.10 175.08 1nea n THR 55 N 0.01 0.00 -2.77 0.00 -2.24 -1.26 -2.48 114.28 105.54 1nea n THR 55 Ca -0.10 -0.42 -0.28 0.00 -2.27 0.00 0.00 64.05 60.97 1nea n THR 55 Cb 0.62 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.95 1nea n THR 55 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nea s THR 56 N -0.23 4.89 0.25 4.28 -4.23 -1.26 -4.95 115.64 114.39 1nea s THR 56 Ca 0.00 0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.52 1nea s THR 56 Cb 0.00 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 1nea s THR 56 CO 0.00 -0.71 1.18 -1.81 -0.54 0.00 0.00 174.62 172.75 1nea s ASP 57 N -3.75 7.10 -1.32 3.99 1.11 -1.26 -3.62 116.67 118.92 1nea s ASP 57 Ca 0.48 2.33 -0.11 0.00 0.18 0.00 0.00 52.55 55.43 1nea s ASP 57 Cb -0.10 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1nea s ASP 57 CO 0.39 -0.31 0.52 0.29 1.18 0.00 0.00 175.17 177.24 1nea n LYS 58 N 1.73 -2.06 0.12 8.23 5.02 -1.26 -4.91 118.16 125.02 1nea n LYS 58 Ca 0.02 0.34 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 1nea n LYS 58 Cb 0.44 -4.05 -0.14 0.00 -0.02 0.00 0.00 35.03 31.26 1nea n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nea n ASN 60 N -3.62 6.89 -0.10 0.00 0.23 -1.26 -5.15 115.26 112.26 1nea n ASN 60 Ca -0.11 -3.39 0.16 0.00 -0.53 0.00 0.00 54.58 50.70 1nea n ASN 60 Cb 1.04 -1.11 0.87 0.00 -2.08 0.00 0.00 39.78 38.49 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13