#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 1.89 0.26 1.47 2.02 -1.26 -1.76 118.70 121.32 1nea s GLU 2 Ca 0.00 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.83 1nea s GLU 2 Cb 0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1nea s GLU 2 CO 0.00 0.51 0.38 0.00 0.02 0.00 0.00 175.26 176.17 1nea s HIS 4 N -3.82 3.48 -0.39 0.00 3.76 -1.26 -1.88 115.29 115.18 1nea s HIS 4 Ca 0.29 0.44 0.10 0.00 -0.15 0.00 0.00 55.06 55.74 1nea s HIS 4 Cb 0.01 -1.92 0.33 0.00 1.11 0.00 0.00 32.58 32.11 1nea s HIS 4 CO 0.13 0.43 0.77 0.27 -0.85 0.00 0.00 174.74 175.48 1nea n ASN 5 N -0.18 0.06 -4.69 1.40 6.94 -0.99 -4.30 115.26 113.50 1nea n ASN 5 Ca -0.03 -3.09 -0.40 0.00 -0.02 0.00 0.00 54.58 51.04 1nea n ASN 5 Cb 0.52 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.67 4.34 -0.11 -3.83 0.74 -1.26 -4.59 119.66 113.28 1nea s GLN 6 Ca 0.36 0.88 -0.10 0.00 0.05 0.00 0.00 55.36 56.55 1nea s GLN 6 Cb 0.31 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 1nea s GLN 6 CO -0.09 -0.13 0.21 -0.65 -0.55 0.00 0.00 175.29 174.08 1nea s GLN 7 N 1.49 3.75 0.00 1.67 -0.21 -1.26 -4.22 119.66 120.87 1nea s GLN 7 Ca 0.36 -0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.74 1nea s GLN 7 Cb -0.17 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1nea s GLN 7 CO 0.15 0.63 0.00 0.43 -2.12 0.00 0.00 175.29 174.37 1nea n SER 8 N 2.37 0.00 -0.33 5.90 7.64 -1.26 -0.75 113.62 127.19 1nea n SER 8 Ca -0.17 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.72 1nea n SER 8 Cb 0.54 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1nea n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1nea n SER 9 N 0.00 0.27 -4.94 6.43 2.88 -1.26 -5.09 113.62 111.91 1nea n SER 9 Ca 0.00 -1.87 -0.24 0.00 -1.33 0.00 0.00 58.87 55.43 1nea n SER 9 Cb 0.00 -0.17 0.01 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.28 3.20 1.01 -1.46 -0.21 0.07 -5.06 119.66 116.94 1nea s GLN 10 Ca 0.03 -0.29 -0.11 0.00 0.02 0.00 0.00 55.36 55.01 1nea s GLN 10 Cb 0.02 -2.51 0.20 0.00 1.00 0.00 0.00 33.01 31.72 1nea s GLN 10 CO 0.00 -0.24 1.09 -1.25 -2.12 0.00 0.00 175.29 172.77 1nea s PRO 11 N -4.60 0.28 0.50 2.91 0.04 -1.26 -4.60 135.00 128.27 1nea s PRO 11 Ca 0.47 1.14 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 1nea s PRO 11 Cb -0.10 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1nea s PRO 11 CO 0.40 -3.00 1.19 -1.25 0.04 0.00 0.00 177.00 174.38 1nea s PRO 12 N -4.62 3.50 0.05 0.56 0.04 -1.26 -4.76 135.00 128.50 1nea s PRO 12 Ca 0.67 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 1nea s PRO 12 Cb -0.23 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1nea s PRO 12 CO 0.60 -0.78 0.07 0.95 0.04 0.00 0.00 177.00 177.89 1nea s THR 13 N -1.55 0.15 0.12 1.26 -4.23 -1.26 -5.05 115.64 105.08 1nea s THR 13 Ca 0.68 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 1nea s THR 13 Cb -0.30 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1nea s THR 13 CO 0.35 -0.69 -0.08 0.42 -0.54 0.00 0.00 174.62 174.09 1nea s THR 14 N -2.97 0.90 0.05 3.99 -4.23 -1.26 -2.34 115.64 109.78 1nea s THR 14 Ca -0.02 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1nea s THR 14 Cb 0.01 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1nea s THR 14 CO -0.06 -0.80 -0.00 -0.54 -0.54 0.00 0.00 174.62 172.67 1nea s LYS 15 N -3.80 0.61 -0.11 3.99 -0.14 -0.78 -4.91 119.74 114.59 1nea s LYS 15 Ca 0.14 -1.13 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 1nea s LYS 15 Cb 0.04 0.22 0.01 0.00 -1.68 0.00 0.00 37.83 36.42 1nea s LYS 15 CO -0.02 -0.12 -0.19 0.95 -0.76 0.00 0.00 175.35 175.21 1nea s THR 16 N -3.66 1.74 -0.47 2.17 -4.23 -1.26 -2.37 115.64 107.55 1nea s THR 16 Ca 0.04 -0.80 0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1nea s THR 16 Cb 0.06 -1.56 0.34 0.00 1.34 0.00 0.00 72.50 72.69 1nea s THR 16 CO -0.09 0.49 0.83 0.00 -0.54 0.00 0.00 174.62 175.31 1nea s PRO 18 N -2.90 2.22 0.00 0.00 0.04 -1.26 -1.99 135.00 131.11 1nea s PRO 18 Ca 0.44 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1nea s PRO 18 Cb 0.31 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1nea s PRO 18 CO -0.11 -3.31 0.00 0.41 0.04 0.00 0.00 177.00 174.03 1nea n GLY 19 N 6.13 1.12 3.91 0.56 0.00 -1.26 -4.96 105.19 110.69 1nea n GLY 19 Ca 0.34 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 3.48 -0.01 1.61 2.02 -0.84 -5.00 118.70 119.96 1nea s GLU 20 Ca 0.00 -0.32 0.20 0.00 0.02 0.00 0.00 54.97 54.87 1nea s GLU 20 Cb 0.00 -3.03 -0.25 0.00 0.10 0.00 0.00 34.13 30.96 1nea s GLU 20 CO 0.00 0.61 0.69 2.41 0.02 0.00 0.00 175.26 178.98 1nea n THR 21 N 0.49 0.00 -4.46 3.63 -1.04 -1.26 -3.61 114.28 108.03 1nea n THR 21 Ca -0.06 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.51 1nea n THR 21 Cb 0.52 0.65 -0.10 0.00 -1.82 0.00 0.00 70.33 69.58 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 -3.37 3.74 0.17 8.00 -0.87 -1.26 -4.74 114.94 116.61 1nea s ASN 22 Ca 0.02 -1.01 0.08 0.00 -1.57 0.00 0.00 52.86 50.38 1nea s ASN 22 Cb 0.14 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 40.95 1nea s ASN 22 CO 0.81 -0.01 -0.17 0.00 -2.57 0.00 0.00 177.10 175.17 1nea s TYR 24 N -2.32 1.90 -0.01 0.00 -0.85 -0.36 -2.27 117.35 113.43 1nea s TYR 24 Ca 0.17 -0.88 0.03 0.00 -0.52 0.00 0.00 57.07 55.86 1nea s TYR 24 Cb -0.04 -1.18 -0.00 0.00 0.38 0.00 0.00 41.96 41.11 1nea s TYR 24 CO 0.06 0.07 -0.09 0.15 -1.52 0.00 0.00 175.55 174.22 1nea s LYS 25 N -3.84 0.81 0.03 -3.49 1.02 -0.84 -1.93 119.74 111.49 1nea s LYS 25 Ca 0.33 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1nea s LYS 25 Cb 0.07 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.59 1nea s LYS 25 CO 0.13 0.17 -0.06 0.15 -0.92 0.00 0.00 175.35 174.82 1nea s LYS 26 N -0.09 0.46 -0.06 1.68 1.02 -0.90 -2.16 119.74 119.70 1nea s LYS 26 Ca 0.02 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.38 1nea s LYS 26 Cb -0.05 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1nea s LYS 26 CO -0.00 0.06 0.18 0.08 -0.92 0.00 0.00 175.35 174.74 1nea s VAL 27 N -1.00 0.01 0.08 3.17 1.01 -1.00 -2.28 120.40 120.39 1nea s VAL 27 Ca -0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1nea s VAL 27 Cb -0.07 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1nea s VAL 27 CO 0.00 -0.06 0.36 -1.66 0.00 0.00 0.00 175.10 173.74 1nea s TRP 28 N -0.15 -0.15 0.20 5.22 -2.14 -1.01 -2.36 118.94 118.55 1nea s TRP 28 Ca -0.02 -0.08 0.10 0.00 2.66 0.00 0.00 56.10 58.76 1nea s TRP 28 Cb -0.02 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.48 1nea s TRP 28 CO 0.01 -0.61 -0.20 0.50 -2.66 0.00 0.00 176.95 173.99 1nea s ARG 29 N -3.24 1.45 0.03 3.25 3.52 -1.26 -2.17 118.95 120.52 1nea s ARG 29 Ca -0.00 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.05 1nea s ARG 29 Cb 0.01 -1.56 -0.00 0.00 -1.56 0.00 0.00 34.95 31.84 1nea s ARG 29 CO -0.08 0.31 0.04 -3.47 -0.81 0.00 0.00 175.30 171.30 1nea n ASP 30 N -0.00 -0.11 -0.15 -2.12 2.03 -0.45 -5.00 116.55 110.75 1nea n ASP 30 Ca -0.11 -1.19 -0.07 0.00 0.52 0.00 0.00 54.79 53.94 1nea n ASP 30 Cb 0.58 0.22 0.09 0.00 -0.72 0.00 0.00 41.12 41.30 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 1.10 0.99 -0.25 -0.67 6.17 -2.03 -3.21 115.15 117.25 1nea h HIS 31 Ca -0.03 -0.16 -0.14 0.00 0.71 0.00 0.00 60.37 60.75 1nea h HIS 31 Cb 0.12 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 29.79 1nea h HIS 31 CO 0.00 0.91 -0.39 0.00 0.71 0.00 0.00 177.93 179.15 1nea h ARG 32 N 0.84 0.70 0.00 5.26 -0.00 -2.04 -3.49 114.38 115.65 1nea h ARG 32 Ca 0.15 -0.43 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1nea h ARG 32 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.55 1nea h ARG 32 CO 0.03 1.05 0.00 0.41 0.00 0.00 0.00 179.97 181.46 1nea n GLY 33 N 0.33 -0.76 3.42 0.04 0.00 -1.21 -5.16 105.19 101.84 1nea n GLY 33 Ca -0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 1.10 0.06 2.61 -1.32 -1.26 -1.34 115.64 111.50 1nea s THR 34 Ca 0.00 -2.01 0.01 0.00 -1.21 0.00 0.00 61.69 58.49 1nea s THR 34 Cb 0.00 -2.72 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1nea s THR 34 CO 0.00 -0.04 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.67 1nea s ILE 35 N -3.36 0.52 0.01 5.08 1.01 -0.92 -5.00 121.20 118.54 1nea s ILE 35 Ca 0.36 -1.52 -0.00 0.00 0.00 0.00 0.00 60.65 59.48 1nea s ILE 35 Cb 0.08 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1nea s ILE 35 CO 0.14 -0.68 -0.01 -0.63 0.00 0.00 0.00 174.94 173.76 1nea s ILE 36 N -2.67 0.07 0.22 2.92 1.01 -1.26 -2.42 121.20 119.07 1nea s ILE 36 Ca 0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1nea s ILE 36 Cb -0.01 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.30 1nea s ILE 36 CO -0.03 -0.30 0.47 -1.83 0.00 0.00 0.00 174.94 173.25 1nea s GLU 37 N -0.87 1.44 0.27 2.79 -1.05 -0.97 -4.04 118.70 116.27 1nea s GLU 37 Ca -0.10 -1.10 0.09 0.00 -0.15 0.00 0.00 54.97 53.71 1nea s GLU 37 Cb -0.06 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1nea s GLU 37 CO -0.01 -0.60 -0.13 1.03 0.95 0.00 0.00 175.26 176.51 1nea s ARG 38 N -3.96 1.56 0.03 -4.83 3.00 -1.26 -2.11 118.95 111.38 1nea s ARG 38 Ca 0.17 -1.74 -0.08 0.00 0.00 0.00 0.00 55.73 54.07 1nea s ARG 38 Cb -0.00 -1.39 0.03 0.00 0.00 0.00 0.00 34.95 33.59 1nea s ARG 38 CO 0.04 0.18 0.40 0.41 0.00 0.00 0.00 175.30 176.32 1nea n GLY 39 N -0.56 0.82 3.71 -3.53 0.00 -0.81 -4.78 105.19 100.04 1nea n GLY 39 Ca -0.06 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 2.05 -1.62 2.73 0.00 0.00 -0.44 -4.76 105.19 103.16 1nea n GLY 41 Ca -0.18 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 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 2.09 -2.96 -1.21 0.00 -0.02 -1.26 -5.06 135.00 126.58 1nea n PRO 43 Ca 0.13 -0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 60.60 1nea n PRO 43 Cb 0.60 -0.84 0.14 0.00 -0.02 0.00 0.00 33.50 33.38 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 -1.62 2.59 0.28 3.45 -4.23 -1.26 -5.09 115.64 109.76 1nea s THR 44 Ca 0.31 0.19 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1nea s THR 44 Cb -0.05 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1nea s THR 44 CO 0.26 -0.25 0.13 0.68 -0.54 0.00 0.00 174.62 174.90 1nea s VAL 45 N -2.95 3.77 -0.03 2.29 -7.23 -1.26 -5.03 120.40 109.96 1nea s VAL 45 Ca 0.64 -1.62 -0.24 0.00 -1.81 0.00 0.00 61.98 58.95 1nea s VAL 45 Cb -0.18 -3.12 0.05 0.00 0.56 0.00 0.00 36.38 33.69 1nea s VAL 45 CO 0.57 -0.31 0.53 -0.54 -0.31 0.00 0.00 175.10 175.04 1nea s LYS 46 N -3.81 0.91 0.15 4.82 1.02 -1.26 -5.11 119.74 116.47 1nea s LYS 46 Ca 0.34 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.07 1nea s LYS 46 Cb -0.06 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.58 1nea s LYS 46 CO 0.23 -0.28 1.40 -1.25 -0.92 0.00 0.00 175.35 174.53 1nea s PRO 47 N -1.33 4.32 0.00 -1.68 0.04 -1.26 -2.38 135.00 132.71 1nea s PRO 47 Ca -0.12 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1nea s PRO 47 Cb -0.02 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1nea s PRO 47 CO 0.07 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1nea n GLY 48 N 3.14 2.43 3.59 0.56 0.00 -1.26 -5.06 105.19 108.59 1nea n GLY 48 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.27 3.17 0.03 -0.61 1.01 -1.00 -4.48 121.20 117.04 1nea s ILE 49 Ca 0.00 -1.99 0.06 0.00 0.00 0.00 0.00 60.65 58.72 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 -0.34 -0.19 -0.54 0.00 0.00 0.00 174.94 173.88 1nea s LYS 50 N -3.49 1.31 0.04 2.79 1.02 -0.99 -4.67 119.74 115.75 1nea s LYS 50 Ca 0.30 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 1nea s LYS 50 Cb -0.06 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 1nea s LYS 50 CO 0.18 0.35 0.08 -1.17 -0.92 0.00 0.00 175.35 173.87 1nea s LEU 51 N -1.03 1.89 -0.03 3.17 0.20 -1.26 -2.38 118.68 119.23 1nea s LEU 51 Ca 0.06 -0.56 -0.14 0.00 0.69 0.00 0.00 54.13 54.18 1nea s LEU 51 Cb -0.08 0.53 0.02 0.00 -0.43 0.00 0.00 46.19 46.23 1nea s LEU 51 CO 0.01 -0.49 0.31 0.20 -0.29 0.00 0.00 176.35 176.09 1nea s ASN 52 N -2.11 -0.21 0.09 3.68 -0.87 -0.92 -5.02 114.94 109.58 1nea s ASN 52 Ca -0.05 0.17 0.02 0.00 -1.57 0.00 0.00 52.86 51.42 1nea s ASN 52 Cb -0.01 0.37 -0.04 0.00 -0.02 0.00 0.00 41.25 41.55 1nea s ASN 52 CO -0.04 -0.39 -0.06 0.00 -2.57 0.00 0.00 177.10 174.03 1nea n THR 55 N -0.16 0.00 -2.36 0.00 -2.24 -1.26 -2.45 114.28 105.81 1nea n THR 55 Ca -0.07 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 1nea n THR 55 Cb 0.63 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.02 4.83 0.48 4.28 -4.23 -1.26 -4.95 115.64 113.77 1nea s THR 56 Ca 0.00 0.46 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1nea s THR 56 Cb 0.00 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 1nea s THR 56 CO 0.00 -0.95 1.19 -1.81 -0.54 0.00 0.00 174.62 172.50 1nea s ASP 57 N -4.11 5.99 -0.79 3.99 1.11 -1.26 -3.70 116.67 117.90 1nea s ASP 57 Ca 0.50 2.35 -0.12 0.00 0.18 0.00 0.00 52.55 55.46 1nea s ASP 57 Cb -0.11 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.30 1nea s ASP 57 CO 0.48 -1.04 0.23 2.29 1.18 0.00 0.00 175.17 178.30 1nea n LYS 58 N -0.66 -0.73 0.09 8.23 2.85 -1.26 -4.85 118.16 121.82 1nea n LYS 58 Ca 0.08 -0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.14 1nea n LYS 58 Cb 0.48 -1.47 -0.07 0.00 -0.65 0.00 0.00 35.03 33.32 1nea n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nea n ASN 60 N -3.60 0.00 0.00 0.00 0.23 -1.26 -5.15 115.26 105.48 1nea n ASN 60 Ca -0.05 0.18 0.13 0.00 -0.53 0.00 0.00 54.58 54.31 1nea n ASN 60 Cb 0.89 -0.38 0.78 0.00 -2.08 0.00 0.00 39.78 39.00 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13