#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 0.43 0.26 1.96 2.02 -1.26 -2.00 118.70 120.11 1nea s GLU 2 Ca 0.00 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.48 1nea s GLU 2 Cb 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 1nea s GLU 2 CO 0.00 0.07 0.41 0.00 0.02 0.00 0.00 175.26 175.76 1nea s HIS 4 N -3.80 3.47 -0.17 0.00 3.76 -1.26 -1.99 115.29 115.29 1nea s HIS 4 Ca 0.28 0.58 0.24 0.00 -0.15 0.00 0.00 55.06 56.00 1nea s HIS 4 Cb 0.01 -2.03 0.48 0.00 1.11 0.00 0.00 32.58 32.15 1nea s HIS 4 CO 0.12 0.39 1.14 0.27 -0.85 0.00 0.00 174.74 175.81 1nea n ASN 5 N -0.08 1.28 -4.89 1.40 0.23 -0.97 -4.39 115.26 107.84 1nea n ASN 5 Ca -0.02 -2.02 -0.30 0.00 -0.53 0.00 0.00 54.58 51.71 1nea n ASN 5 Cb 0.52 -0.39 0.03 0.00 -2.08 0.00 0.00 39.78 37.87 1nea n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nea s GLN 6 N -2.40 3.13 -0.01 -3.83 -2.07 -1.26 -4.84 119.66 108.39 1nea s GLN 6 Ca 0.29 0.47 0.08 0.00 -1.82 0.00 0.00 55.36 54.37 1nea s GLN 6 Cb 0.34 -2.10 -0.02 0.00 -1.09 0.00 0.00 33.01 30.15 1nea s GLN 6 CO -0.09 -0.80 -0.26 -0.65 -1.32 0.00 0.00 175.29 172.18 1nea s GLN 7 N -5.22 2.03 0.00 9.60 -0.21 -1.26 -4.29 119.66 120.31 1nea s GLN 7 Ca 0.56 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1nea s GLN 7 Cb -0.11 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1nea s GLN 7 CO 0.51 0.54 0.00 0.45 -2.12 0.00 0.00 175.29 174.67 1nea n SER 8 N 2.36 0.00 0.00 5.90 2.88 -1.26 -0.69 113.62 122.80 1nea n SER 8 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1nea n SER 8 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1nea n SER 8 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1nea n SER 9 N 0.00 0.62 -4.89 -3.46 2.88 -1.26 -5.08 113.62 102.42 1nea n SER 9 Ca 0.00 -1.27 -0.29 0.00 -1.33 0.00 0.00 58.87 55.98 1nea n SER 9 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1nea n SER 9 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1nea s GLN 10 N -0.27 3.07 0.95 -1.46 -1.52 0.13 -5.04 119.66 115.52 1nea s GLN 10 Ca 0.00 0.36 -0.12 0.00 -1.95 0.00 0.00 55.36 53.65 1nea s GLN 10 Cb 0.00 -2.13 0.16 0.00 -0.22 0.00 0.00 33.01 30.82 1nea s GLN 10 CO 0.00 -0.78 1.09 -2.14 -0.25 0.00 0.00 175.29 173.20 1nea s PRO 11 N -5.17 0.83 0.43 2.91 0.02 -1.26 -4.67 135.00 128.09 1nea s PRO 11 Ca 0.55 0.93 -0.25 0.00 0.02 0.00 0.00 61.00 62.25 1nea s PRO 11 Cb -0.11 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 1nea s PRO 11 CO 0.50 -2.57 1.33 -1.25 -0.33 0.00 0.00 177.00 174.68 1nea s PRO 12 N -4.81 3.81 -0.01 5.54 0.04 -1.26 -4.81 135.00 133.50 1nea s PRO 12 Ca 0.65 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.83 1nea s PRO 12 Cb -0.20 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1nea s PRO 12 CO 0.58 -0.64 0.13 0.95 0.04 0.00 0.00 177.00 178.06 1nea s THR 13 N -1.27 0.07 0.24 1.26 -4.23 -1.26 -5.05 115.64 105.40 1nea s THR 13 Ca 0.60 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1nea s THR 13 Cb -0.39 -0.38 -0.05 0.00 1.34 0.00 0.00 72.50 73.01 1nea s THR 13 CO 0.50 -0.32 -0.00 0.42 -0.54 0.00 0.00 174.62 174.68 1nea s THR 14 N -1.12 1.09 0.08 3.99 -4.23 -1.26 -2.29 115.64 111.90 1nea s THR 14 Ca -0.12 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.28 1nea s THR 14 Cb -0.07 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 1nea s THR 14 CO 0.01 -0.30 0.13 -0.54 -0.54 0.00 0.00 174.62 173.39 1nea s LYS 15 N -3.85 0.79 -0.06 3.99 -0.14 -0.84 -4.89 119.74 114.73 1nea s LYS 15 Ca 0.29 -1.04 0.04 0.00 -1.36 0.00 0.00 55.97 53.90 1nea s LYS 15 Cb 0.06 0.31 0.00 0.00 -1.68 0.00 0.00 37.83 36.51 1nea s LYS 15 CO 0.09 -0.23 -0.18 0.95 -0.76 0.00 0.00 175.35 175.22 1nea s THR 16 N -3.88 1.58 -0.44 2.17 -4.23 -1.26 -2.35 115.64 107.22 1nea s THR 16 Ca 0.06 -0.77 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1nea s THR 16 Cb 0.06 -1.37 0.33 0.00 1.34 0.00 0.00 72.50 72.85 1nea s THR 16 CO -0.10 0.45 0.75 0.00 -0.54 0.00 0.00 174.62 175.18 1nea s PRO 18 N -2.50 2.07 0.00 0.00 0.04 -1.26 -2.06 135.00 131.29 1nea s PRO 18 Ca 0.41 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1nea s PRO 18 Cb 0.29 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1nea s PRO 18 CO -0.09 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 173.61 1nea n GLY 19 N 6.55 0.95 3.89 0.56 0.00 -1.26 -4.92 105.19 110.95 1nea n GLY 19 Ca 0.40 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 3.71 0.00 1.61 2.02 -0.87 -4.99 118.70 120.18 1nea s GLU 20 Ca 0.00 0.09 0.15 0.00 0.02 0.00 0.00 54.97 55.23 1nea s GLU 20 Cb 0.00 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1nea s GLU 20 CO 0.00 0.41 0.78 0.25 0.02 0.00 0.00 175.26 176.72 1nea n THR 21 N 0.05 0.00 -4.45 3.63 -2.24 -1.26 -4.25 114.28 105.76 1nea n THR 21 Ca -0.02 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1nea n THR 21 Cb 0.52 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 1nea n THR 21 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1nea s ASN 22 N -1.96 2.94 0.11 3.42 -0.87 -1.26 -4.74 114.94 112.58 1nea s ASN 22 Ca 0.11 -1.19 0.02 0.00 -1.57 0.00 0.00 52.86 50.23 1nea s ASN 22 Cb 0.12 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.25 41.11 1nea s ASN 22 CO 0.44 -0.32 -0.07 0.00 -2.57 0.00 0.00 177.10 174.58 1nea s TYR 24 N -3.58 1.67 -0.01 0.00 -0.85 -0.35 -2.21 117.35 112.02 1nea s TYR 24 Ca 0.13 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 55.74 1nea s TYR 24 Cb 0.05 -1.01 -0.01 0.00 0.38 0.00 0.00 41.96 41.37 1nea s TYR 24 CO -0.04 -0.06 -0.09 0.15 -1.52 0.00 0.00 175.55 173.99 1nea s LYS 25 N -3.89 0.70 0.03 -3.49 1.02 -0.80 -1.93 119.74 111.39 1nea s LYS 25 Ca 0.32 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.01 1nea s LYS 25 Cb 0.07 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1nea s LYS 25 CO 0.11 0.19 -0.07 0.15 -0.92 0.00 0.00 175.35 174.81 1nea s LYS 26 N -0.23 0.49 -0.06 1.68 1.02 -0.93 -2.16 119.74 119.55 1nea s LYS 26 Ca 0.03 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1nea s LYS 26 Cb -0.03 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1nea s LYS 26 CO -0.00 0.05 0.17 0.08 -0.92 0.00 0.00 175.35 174.73 1nea s VAL 27 N -1.16 -0.00 0.17 3.17 1.01 -0.98 -2.30 120.40 120.30 1nea s VAL 27 Ca -0.08 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1nea s VAL 27 Cb -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1nea s VAL 27 CO 0.00 0.00 0.43 -1.66 0.00 0.00 0.00 175.10 173.88 1nea s TRP 28 N 0.15 -0.02 0.16 5.22 -2.14 -1.01 -2.42 118.94 118.88 1nea s TRP 28 Ca -0.01 -0.32 0.06 0.00 2.66 0.00 0.00 56.10 58.49 1nea s TRP 28 Cb -0.02 0.25 -0.04 0.00 -3.10 0.00 0.00 33.47 30.57 1nea s TRP 28 CO -0.00 -0.81 0.06 1.03 -2.66 0.00 0.00 176.95 174.57 1nea s ARG 29 N -3.88 2.64 0.13 3.25 0.52 -1.26 -2.18 118.95 118.17 1nea s ARG 29 Ca 0.09 -0.98 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1nea s ARG 29 Cb 0.01 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.97 1nea s ARG 29 CO -0.05 0.47 0.15 -3.47 0.02 0.00 0.00 175.30 172.43 1nea n ASP 30 N -0.17 -0.42 -0.10 0.23 2.03 -0.11 -4.96 116.55 113.05 1nea n ASP 30 Ca -0.09 -1.73 -0.05 0.00 0.52 0.00 0.00 54.79 53.43 1nea n ASP 30 Cb 0.55 0.83 0.14 0.00 -0.72 0.00 0.00 41.12 41.91 1nea n ASP 30 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1nea h HIS 31 N 1.38 0.84 0.00 -0.67 6.17 -2.01 -3.17 115.15 117.70 1nea h HIS 31 Ca -0.10 -0.14 -0.19 0.00 0.71 0.00 0.00 60.37 60.65 1nea h HIS 31 Cb 0.44 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1nea h HIS 31 CO 0.00 0.83 -1.00 0.00 0.71 0.00 0.00 177.93 178.47 1nea h ARG 32 N 0.71 0.00 0.00 5.26 -0.00 -2.03 -3.49 114.38 114.82 1nea h ARG 32 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 1nea h ARG 32 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.52 1nea h ARG 32 CO 0.03 0.75 0.00 0.41 0.00 0.00 0.00 179.97 181.16 1nea n GLY 33 N 1.35 -0.53 3.34 0.04 0.00 -1.20 -5.15 105.19 103.05 1nea n GLY 33 Ca -0.02 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.91 0.05 2.61 -1.32 -1.26 -0.93 115.64 115.71 1nea s THR 34 Ca 0.00 -2.01 -0.00 0.00 -1.21 0.00 0.00 61.69 58.46 1nea s THR 34 Cb 0.00 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1nea s THR 34 CO 0.00 -0.19 -0.04 -0.63 -2.21 0.00 0.00 174.62 171.56 1nea s ILE 35 N -3.50 0.29 0.01 5.08 1.01 -0.93 -4.94 121.20 118.22 1nea s ILE 35 Ca 0.32 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 59.25 1nea s ILE 35 Cb 0.07 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1nea s ILE 35 CO 0.11 -0.92 -0.03 -0.63 0.00 0.00 0.00 174.94 173.47 1nea s ILE 36 N -3.59 0.14 0.21 2.92 1.09 -1.26 -2.41 121.20 118.30 1nea s ILE 36 Ca 0.05 -0.52 -0.12 0.00 -1.10 0.00 0.00 60.65 58.96 1nea s ILE 36 Cb 0.05 -0.21 -0.00 0.00 -1.06 0.00 0.00 42.46 41.24 1nea s ILE 36 CO -0.08 -0.25 0.40 -1.83 -0.10 0.00 0.00 174.94 173.08 1nea s GLU 37 N -0.80 1.36 0.26 2.79 -1.05 -0.97 -4.35 118.70 115.93 1nea s GLU 37 Ca -0.08 -1.17 0.09 0.00 -0.15 0.00 0.00 54.97 53.66 1nea s GLU 37 Cb -0.06 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1nea s GLU 37 CO -0.00 -0.54 -0.15 1.03 0.95 0.00 0.00 175.26 176.55 1nea s ARG 38 N -3.98 1.54 0.09 -4.83 3.00 -1.26 -2.19 118.95 111.31 1nea s ARG 38 Ca 0.19 -1.72 -0.19 0.00 0.00 0.00 0.00 55.73 54.02 1nea s ARG 38 Cb 0.01 -1.42 0.06 0.00 0.00 0.00 0.00 34.95 33.61 1nea s ARG 38 CO 0.04 0.21 0.87 0.41 0.00 0.00 0.00 175.30 176.84 1nea n GLY 39 N -0.54 0.59 3.75 -3.53 0.00 -0.81 -4.84 105.19 99.81 1nea n GLY 39 Ca -0.06 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 1.78 -2.47 2.62 0.00 0.00 -0.70 -4.75 105.19 101.65 1nea n GLY 41 Ca -0.17 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 1nea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea s PRO 43 N 0.35 0.44 1.01 0.00 0.02 -1.26 -5.06 135.00 130.49 1nea s PRO 43 Ca 0.32 0.30 -0.11 0.00 0.02 0.00 0.00 61.00 61.52 1nea s PRO 43 Cb 0.14 -1.76 0.20 0.00 0.02 0.00 0.00 34.50 33.10 1nea s PRO 43 CO -0.17 -2.67 1.09 0.99 -0.33 0.00 0.00 177.00 175.91 1nea s THR 44 N -3.13 2.21 0.38 0.99 2.01 -1.26 -5.04 115.64 111.80 1nea s THR 44 Ca 0.66 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.80 1nea s THR 44 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1nea s THR 44 CO 0.56 -0.09 0.35 -0.69 -0.69 0.00 0.00 174.62 174.06 1nea s VAL 45 N -2.64 3.13 -0.00 3.82 1.01 -1.26 -5.03 120.40 119.42 1nea s VAL 45 Ca 0.67 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1nea s VAL 45 Cb -0.22 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1nea s VAL 45 CO 0.60 -0.09 0.43 -0.54 0.00 0.00 0.00 175.10 175.51 1nea s LYS 46 N -4.08 0.85 -0.00 2.72 1.02 -1.26 -5.10 119.74 113.89 1nea s LYS 46 Ca 0.45 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 1nea s LYS 46 Cb -0.05 0.38 -0.06 0.00 -0.52 0.00 0.00 37.83 37.58 1nea s LYS 46 CO 0.28 -0.26 1.51 -1.25 -0.92 0.00 0.00 175.35 174.71 1nea s PRO 47 N -1.71 4.24 0.00 -1.68 0.04 -1.26 -2.29 135.00 132.34 1nea s PRO 47 Ca -0.10 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1nea s PRO 47 Cb -0.02 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1nea s PRO 47 CO 0.03 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1nea n GLY 48 N 3.83 1.63 3.59 0.56 0.00 -1.26 -5.07 105.19 108.47 1nea n GLY 48 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.67 2.90 0.03 -0.61 1.01 -0.97 -4.57 121.20 117.32 1nea s ILE 49 Ca 0.00 -2.08 0.05 0.00 0.00 0.00 0.00 60.65 58.62 1nea s ILE 49 Cb 0.00 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1nea s ILE 49 CO 0.00 -0.33 -0.15 -0.54 0.00 0.00 0.00 174.94 173.93 1nea s LYS 50 N -3.64 0.98 0.13 2.79 1.02 -1.02 -4.59 119.74 115.42 1nea s LYS 50 Ca 0.32 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.52 1nea s LYS 50 Cb -0.04 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 1nea s LYS 50 CO 0.18 0.25 0.13 -1.17 -0.92 0.00 0.00 175.35 173.82 1nea s LEU 51 N -1.07 1.55 -0.11 3.17 0.20 -1.26 -2.33 118.68 118.83 1nea s LEU 51 Ca 0.02 -1.05 -0.22 0.00 0.69 0.00 0.00 54.13 53.57 1nea s LEU 51 Cb -0.08 0.62 0.05 0.00 -0.43 0.00 0.00 46.19 46.36 1nea s LEU 51 CO 0.01 -0.77 0.55 0.20 -0.29 0.00 0.00 176.35 176.05 1nea s ASN 52 N -3.00 -0.52 0.10 3.68 0.01 -0.92 -5.00 114.94 109.28 1nea s ASN 52 Ca 0.19 0.76 0.03 0.00 -0.71 0.00 0.00 52.86 53.12 1nea s ASN 52 Cb 0.06 0.75 -0.04 0.00 0.41 0.00 0.00 41.25 42.44 1nea s ASN 52 CO -0.01 -0.40 -0.08 0.00 -1.51 0.00 0.00 177.10 175.11 1nea n THR 55 N -0.46 0.00 -2.45 0.00 -2.24 -1.26 -2.51 114.28 105.36 1nea n THR 55 Ca 0.04 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 1nea n THR 55 Cb 0.64 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.49 3.57 0.25 4.28 -4.23 -1.26 -4.93 115.64 112.83 1nea s THR 56 Ca 0.00 -0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1nea s THR 56 Cb 0.00 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 1nea s THR 56 CO 0.00 -0.41 1.01 -1.81 -0.54 0.00 0.00 174.62 172.87 1nea s ASP 57 N -4.31 7.48 -1.40 3.99 1.11 -1.26 -3.90 116.67 118.37 1nea s ASP 57 Ca 0.54 2.09 -0.08 0.00 0.18 0.00 0.00 52.55 55.28 1nea s ASP 57 Cb -0.10 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.27 1nea s ASP 57 CO 0.44 0.02 0.34 0.29 1.18 0.00 0.00 175.17 177.44 1nea n LYS 58 N 1.41 -1.73 0.16 8.23 5.02 -1.26 -4.89 118.16 125.10 1nea n LYS 58 Ca -0.01 0.24 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 1nea n LYS 58 Cb 0.46 -3.82 0.18 0.00 -0.02 0.00 0.00 35.03 31.84 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 -3.37 0.85 0.00 0.00 0.23 -1.26 -5.16 115.26 106.56 1nea n ASN 60 Ca 0.01 -1.27 0.10 0.00 -0.53 0.00 0.00 54.58 52.89 1nea n ASN 60 Cb 0.62 -0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.95 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13