#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 0.33 0.23 1.96 2.02 -1.26 -2.06 118.70 119.93 1nea s GLU 2 Ca 0.00 -0.48 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 1nea s GLU 2 Cb 0.00 -0.11 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1nea s GLU 2 CO 0.00 0.01 0.40 0.00 0.02 0.00 0.00 175.26 175.69 1nea s HIS 4 N -4.04 3.28 -0.41 0.00 0.09 -1.26 -2.03 115.29 110.93 1nea s HIS 4 Ca 0.25 0.00 0.09 0.00 -0.00 0.00 0.00 55.06 55.40 1nea s HIS 4 Cb 0.01 -1.54 0.33 0.00 -0.00 0.00 0.00 32.58 31.38 1nea s HIS 4 CO 0.08 0.51 0.87 0.27 -0.00 0.00 0.00 174.74 176.47 1nea n ASN 5 N -0.74 -0.50 -4.67 1.40 2.04 -0.95 -4.67 115.26 107.17 1nea n ASN 5 Ca -0.08 -3.27 -0.43 0.00 -0.44 0.00 0.00 54.58 50.36 1nea n ASN 5 Cb 0.55 0.41 -0.02 0.00 -2.53 0.00 0.00 39.78 38.19 1nea n ASN 5 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 1nea s GLN 6 N -1.27 4.29 -0.07 -3.83 0.74 -1.26 -4.66 119.66 113.60 1nea s GLN 6 Ca 0.33 1.43 -0.11 0.00 0.05 0.00 0.00 55.36 57.06 1nea s GLN 6 Cb 0.32 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 1nea s GLN 6 CO -0.07 -0.57 0.27 -0.65 -0.55 0.00 0.00 175.29 173.72 1nea s GLN 7 N 2.97 3.76 0.00 1.67 -0.21 -1.26 -4.58 119.66 122.00 1nea s GLN 7 Ca 0.47 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.98 1nea s GLN 7 Cb -0.17 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1nea s GLN 7 CO 0.11 0.67 0.00 0.45 -2.12 0.00 0.00 175.29 174.40 1nea n SER 8 N 2.13 0.00 0.00 5.90 2.88 -1.26 -0.77 113.62 122.49 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 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.80 -4.81 -3.46 3.41 -1.26 -5.08 113.62 103.23 1nea n SER 9 Ca 0.00 -1.24 -0.32 0.00 -0.26 0.00 0.00 58.87 57.04 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 -0.24 3.14 1.02 4.33 1.11 0.05 -5.02 119.66 124.05 1nea s GLN 10 Ca 0.00 1.13 -0.12 0.00 0.01 0.00 0.00 55.36 56.38 1nea s GLN 10 Cb 0.00 -2.01 0.20 0.00 -1.01 0.00 0.00 33.01 30.19 1nea s GLN 10 CO 0.00 -0.94 1.08 -1.25 0.01 0.00 0.00 175.29 174.18 1nea s PRO 11 N -4.40 0.22 0.50 2.91 0.04 -1.26 -4.55 135.00 128.45 1nea s PRO 11 Ca 0.62 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1nea s PRO 11 Cb -0.16 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1nea s PRO 11 CO 0.43 -3.01 1.26 -1.25 0.04 0.00 0.00 177.00 174.47 1nea s PRO 12 N -4.66 3.46 0.03 0.56 0.04 -1.26 -4.76 135.00 128.41 1nea s PRO 12 Ca 0.66 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 1nea s PRO 12 Cb -0.22 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1nea s PRO 12 CO 0.60 -0.86 0.08 0.95 0.04 0.00 0.00 177.00 177.81 1nea s THR 13 N -1.43 0.13 0.18 1.26 -4.23 -1.26 -5.05 115.64 105.23 1nea s THR 13 Ca 0.67 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1nea s THR 13 Cb -0.34 -0.80 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 1nea s THR 13 CO 0.41 -0.59 -0.07 0.42 -0.54 0.00 0.00 174.62 174.25 1nea s THR 14 N -2.42 1.12 0.06 3.99 -4.23 -1.26 -2.25 115.64 110.65 1nea s THR 14 Ca -0.07 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 1nea s THR 14 Cb -0.02 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 1nea s THR 14 CO -0.04 -0.59 0.07 -0.54 -0.54 0.00 0.00 174.62 172.98 1nea s LYS 15 N -3.79 0.67 -0.06 3.99 -0.14 -0.86 -4.94 119.74 114.61 1nea s LYS 15 Ca 0.21 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1nea s LYS 15 Cb 0.04 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.44 1nea s LYS 15 CO 0.04 -0.16 -0.17 0.95 -0.76 0.00 0.00 175.35 175.24 1nea s THR 16 N -3.52 1.46 -0.42 2.17 -4.23 -1.26 -2.37 115.64 107.47 1nea s THR 16 Ca 0.03 -0.70 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 1nea s THR 16 Cb 0.04 -1.28 0.32 0.00 1.34 0.00 0.00 72.50 72.92 1nea s THR 16 CO -0.09 0.42 0.72 0.00 -0.54 0.00 0.00 174.62 175.13 1nea s PRO 18 N -2.31 2.15 0.00 0.00 0.04 -1.26 -2.11 135.00 131.51 1nea s PRO 18 Ca 0.40 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1nea s PRO 18 Cb 0.28 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1nea s PRO 18 CO -0.09 -3.57 0.00 0.41 0.04 0.00 0.00 177.00 173.79 1nea n GLY 19 N 6.41 0.93 3.96 0.56 0.00 -1.26 -4.92 105.19 110.86 1nea n GLY 19 Ca 0.38 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 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 3.35 -0.00 1.61 2.02 -0.90 -5.01 118.70 119.76 1nea s GLU 20 Ca 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.43 1nea s GLU 20 Cb 0.00 -2.76 -0.08 0.00 0.10 0.00 0.00 34.13 31.39 1nea s GLU 20 CO 0.00 0.18 0.23 0.25 0.02 0.00 0.00 175.26 175.94 1nea n THR 21 N -1.67 0.00 -4.49 3.63 -2.24 -1.26 -4.34 114.28 103.92 1nea n THR 21 Ca -0.05 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 1nea n THR 21 Cb 0.57 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.06 3.53 0.12 3.42 0.01 -1.26 -4.70 114.94 114.00 1nea s ASN 22 Ca 0.01 -1.10 0.04 0.00 -0.71 0.00 0.00 52.86 51.10 1nea s ASN 22 Cb 0.05 -0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.37 1nea s ASN 22 CO 0.28 -0.08 -0.10 0.00 -1.51 0.00 0.00 177.10 175.69 1nea s TYR 24 N -2.84 2.18 -0.03 0.00 -0.85 -0.34 -2.41 117.35 113.07 1nea s TYR 24 Ca 0.11 -0.57 0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1nea s TYR 24 Cb -0.00 -1.22 0.01 0.00 0.38 0.00 0.00 41.96 41.12 1nea s TYR 24 CO 0.00 0.46 -0.05 0.15 -1.52 0.00 0.00 175.55 174.59 1nea s LYS 25 N -3.65 0.68 0.04 -3.49 1.02 -0.70 -1.97 119.74 111.67 1nea s LYS 25 Ca 0.31 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1nea s LYS 25 Cb 0.02 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1nea s LYS 25 CO 0.14 0.02 -0.04 -1.59 -0.92 0.00 0.00 175.35 172.96 1nea s LYS 26 N 0.43 0.52 0.03 1.68 -2.85 -0.98 -1.61 119.74 116.96 1nea s LYS 26 Ca -0.05 -0.97 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1nea s LYS 26 Cb -0.09 0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.73 1nea s LYS 26 CO -0.00 -0.06 -0.07 0.08 0.10 0.00 0.00 175.35 175.40 1nea s VAL 27 N -2.74 0.47 0.04 1.79 1.01 -0.98 -2.48 120.40 117.51 1nea s VAL 27 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1nea s VAL 27 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1nea s VAL 27 CO -0.05 -0.29 0.30 -1.66 0.00 0.00 0.00 175.10 173.40 1nea s TRP 28 N -1.13 -0.11 0.21 5.22 -2.14 -1.02 -2.31 118.94 117.67 1nea s TRP 28 Ca -0.08 -0.02 0.08 0.00 2.66 0.00 0.00 56.10 58.74 1nea s TRP 28 Cb -0.08 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 1nea s TRP 28 CO 0.00 -0.50 0.02 1.03 -2.66 0.00 0.00 176.95 174.84 1nea s ARG 29 N -2.52 2.41 0.11 3.25 0.52 -1.26 -2.21 118.95 119.25 1nea s ARG 29 Ca -0.05 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1nea s ARG 29 Cb -0.01 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1nea s ARG 29 CO -0.03 0.42 0.13 -3.47 0.02 0.00 0.00 175.30 172.37 1nea n ASP 30 N -0.48 -0.36 -0.16 0.23 2.03 -0.47 -4.97 116.55 112.37 1nea n ASP 30 Ca -0.08 -1.67 -0.11 0.00 0.52 0.00 0.00 54.79 53.44 1nea n ASP 30 Cb 0.57 0.73 -0.00 0.00 -0.72 0.00 0.00 41.12 41.69 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 1.35 1.13 0.00 -0.67 -0.00 -2.02 -3.28 115.15 111.66 1nea h HIS 31 Ca -0.09 -0.27 -0.20 0.00 -0.00 0.00 0.00 60.37 59.81 1nea h HIS 31 Cb 0.40 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1nea h HIS 31 CO 0.00 1.09 -1.06 0.07 -0.00 0.00 0.00 177.93 178.04 1nea h ARG 32 N 0.84 0.00 0.00 5.26 0.11 -2.04 -3.49 114.38 115.06 1nea h ARG 32 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1nea h ARG 32 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1nea h ARG 32 CO 0.06 0.75 0.00 0.41 0.10 0.00 0.00 179.97 181.29 1nea n GLY 33 N 1.36 -0.90 3.43 0.08 0.00 -1.24 -5.16 105.19 102.76 1nea n GLY 33 Ca -0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 1.05 0.07 2.61 -1.32 -1.26 -1.36 115.64 111.42 1nea s THR 34 Ca 0.00 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.50 1nea s THR 34 Cb 0.00 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 1nea s THR 34 CO 0.00 0.00 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.71 1nea s ILE 35 N -3.37 0.59 0.01 5.08 1.01 -0.94 -4.96 121.20 118.63 1nea s ILE 35 Ca 0.36 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1nea s ILE 35 Cb 0.08 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1nea s ILE 35 CO 0.15 -0.70 -0.02 -0.63 0.00 0.00 0.00 174.94 173.74 1nea s ILE 36 N -2.79 0.13 0.23 2.92 1.01 -1.26 -2.42 121.20 119.01 1nea s ILE 36 Ca 0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 1nea s ILE 36 Cb -0.00 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1nea s ILE 36 CO -0.03 -0.14 0.47 -1.83 0.00 0.00 0.00 174.94 173.42 1nea s GLU 37 N -0.50 1.47 0.29 2.79 -1.05 -1.03 -4.17 118.70 116.50 1nea s GLU 37 Ca -0.04 -1.15 0.08 0.00 -0.15 0.00 0.00 54.97 53.71 1nea s GLU 37 Cb -0.04 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.07 1nea s GLU 37 CO -0.00 -0.61 -0.09 1.03 0.95 0.00 0.00 175.26 176.54 1nea s ARG 38 N -3.98 1.61 0.10 -4.83 0.52 -1.26 -2.32 118.95 108.79 1nea s ARG 38 Ca 0.18 -1.80 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 1nea s ARG 38 Cb -0.00 -1.35 0.05 0.00 0.52 0.00 0.00 34.95 34.17 1nea s ARG 38 CO 0.05 0.11 0.69 0.41 0.02 0.00 0.00 175.30 176.58 1nea n GLY 39 N -0.62 0.78 3.76 -3.53 0.00 -0.83 -4.92 105.19 99.83 1nea n GLY 39 Ca -0.06 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 1.81 -3.21 2.64 0.00 0.00 -0.52 -4.74 105.19 101.17 1nea n GLY 41 Ca -0.17 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.46 0.31 0.44 0.00 0.04 -1.26 -5.07 135.00 129.00 1nea s PRO 43 Ca 0.25 0.68 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 1nea s PRO 43 Cb 0.35 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 33.10 1nea s PRO 43 CO -0.06 -2.85 0.87 0.95 0.04 0.00 0.00 177.00 175.95 1nea s THR 44 N -2.84 4.63 0.25 1.26 -4.23 -1.26 -5.10 115.64 108.35 1nea s THR 44 Ca 0.66 0.99 0.02 0.00 -1.18 0.00 0.00 61.69 62.18 1nea s THR 44 Cb -0.20 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1nea s THR 44 CO 0.59 -0.53 0.18 0.68 -0.54 0.00 0.00 174.62 175.00 1nea s VAL 45 N -2.41 0.04 0.28 2.29 -7.23 -1.26 -5.17 120.40 106.95 1nea s VAL 45 Ca 0.56 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1nea s VAL 45 Cb -0.10 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1nea s VAL 45 CO 0.28 0.00 0.59 -0.54 -0.31 0.00 0.00 175.10 175.12 1nea s LYS 46 N -3.92 3.74 -0.74 4.82 1.02 -1.26 -4.97 119.74 118.42 1nea s LYS 46 Ca 0.39 0.21 -0.26 0.00 0.02 0.00 0.00 55.97 56.34 1nea s LYS 46 Cb 0.06 -2.60 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 1nea s LYS 46 CO 0.17 0.21 2.05 -1.25 -0.92 0.00 0.00 175.35 175.61 1nea s PRO 47 N -3.28 2.37 0.00 -1.68 0.04 -1.26 -2.11 135.00 129.07 1nea s PRO 47 Ca 0.47 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1nea s PRO 47 Cb -0.11 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1nea s PRO 47 CO 0.26 -3.34 0.00 0.41 0.04 0.00 0.00 177.00 174.37 1nea n GLY 48 N 6.38 0.04 3.79 0.56 0.00 -1.26 -5.10 105.19 109.60 1nea n GLY 48 Ca 0.35 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.37 0.13 -0.61 1.01 -0.90 -4.73 121.20 119.47 1nea s ILE 49 Ca 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 60.65 59.18 1nea s ILE 49 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1nea s ILE 49 CO 0.00 -0.20 -0.16 -0.54 0.00 0.00 0.00 174.94 174.04 1nea s LYS 50 N -3.90 1.09 0.15 2.79 1.02 -0.98 -4.80 119.74 115.12 1nea s LYS 50 Ca 0.38 -1.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1nea s LYS 50 Cb -0.04 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1nea s LYS 50 CO 0.24 0.23 0.09 -1.17 -0.92 0.00 0.00 175.35 173.82 1nea s LEU 51 N -2.35 1.54 0.00 3.17 0.20 -1.26 -2.33 118.68 117.66 1nea s LEU 51 Ca 0.09 -1.24 -0.24 0.00 0.69 0.00 0.00 54.13 53.43 1nea s LEU 51 Cb -0.07 0.38 0.05 0.00 -0.43 0.00 0.00 46.19 46.12 1nea s LEU 51 CO 0.04 -0.77 0.53 0.20 -0.29 0.00 0.00 176.35 176.06 1nea s ASN 52 N -3.08 -0.47 0.10 3.68 -0.87 -0.64 -4.99 114.94 108.68 1nea s ASN 52 Ca 0.28 0.34 -0.06 0.00 -1.57 0.00 0.00 52.86 51.85 1nea s ASN 52 Cb 0.07 0.47 -0.02 0.00 -0.02 0.00 0.00 41.25 41.76 1nea s ASN 52 CO 0.05 -0.63 0.15 0.00 -2.57 0.00 0.00 177.10 174.10 1nea n THR 55 N -0.27 0.00 -2.27 0.00 -2.24 -1.26 -2.41 114.28 105.84 1nea n THR 55 Ca -0.04 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1nea n THR 55 Cb 0.63 0.75 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.28 2.56 0.59 4.28 -4.23 -1.26 -4.92 115.64 111.38 1nea s THR 56 Ca 0.00 -0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 1nea s THR 56 Cb 0.00 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1nea s THR 56 CO 0.00 -0.09 1.02 -1.81 -0.54 0.00 0.00 174.62 173.20 1nea s ASP 57 N -4.47 6.15 -1.67 3.99 1.11 -1.26 -3.90 116.67 116.61 1nea s ASP 57 Ca 0.59 1.58 -0.12 0.00 0.18 0.00 0.00 52.55 54.78 1nea s ASP 57 Cb -0.11 -2.50 0.12 0.00 1.07 0.00 0.00 42.92 41.50 1nea s ASP 57 CO 0.44 -0.92 0.47 1.17 1.18 0.00 0.00 175.17 177.51 1nea n LYS 58 N -2.24 -1.86 0.04 8.23 4.81 -1.26 -4.85 118.16 121.03 1nea n LYS 58 Ca 0.07 0.23 -0.20 0.00 -0.87 0.00 0.00 58.31 57.55 1nea n LYS 58 Cb 0.54 -4.50 -0.14 0.00 0.02 0.00 0.00 35.03 30.95 1nea n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nea n ASN 60 N -3.48 5.89 0.00 0.00 6.94 -1.26 -5.14 115.26 118.21 1nea n ASN 60 Ca -0.24 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.09 1nea n ASN 60 Cb 1.06 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03