#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 1.04 0.16 1.96 2.02 -1.26 -1.89 118.70 120.73 1nea s GLU 2 Ca 0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1nea s GLU 2 Cb 0.00 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 1nea s GLU 2 CO 0.00 0.27 0.23 0.00 0.02 0.00 0.00 175.26 175.78 1nea s HIS 4 N -4.00 3.46 -0.09 0.00 0.09 -1.26 -2.24 115.29 111.24 1nea s HIS 4 Ca 0.21 0.79 0.23 0.00 -0.00 0.00 0.00 55.06 56.28 1nea s HIS 4 Cb 0.04 -2.22 0.45 0.00 -0.00 0.00 0.00 32.58 30.85 1nea s HIS 4 CO 0.02 0.15 1.17 0.27 -0.00 0.00 0.00 174.74 176.34 1nea n ASN 5 N -0.77 1.37 -4.82 1.40 6.94 -0.99 -4.52 115.26 113.88 1nea n ASN 5 Ca -0.00 -2.33 -0.33 0.00 -0.02 0.00 0.00 54.58 51.89 1nea n ASN 5 Cb 0.53 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.53 1nea n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nea s GLN 6 N -1.34 4.07 0.04 -3.83 -2.07 -1.26 -4.84 119.66 110.43 1nea s GLN 6 Ca 0.34 1.17 0.01 0.00 -1.82 0.00 0.00 55.36 55.06 1nea s GLN 6 Cb 0.37 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 1nea s GLN 6 CO -0.12 -0.18 0.08 -0.65 -1.32 0.00 0.00 175.29 173.10 1nea s GLN 7 N -3.30 2.99 0.00 9.60 -0.21 -1.26 -4.39 119.66 123.08 1nea s GLN 7 Ca 0.63 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.42 1nea s GLN 7 Cb -0.11 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.10 1nea s GLN 7 CO 0.17 0.60 0.00 0.43 -2.12 0.00 0.00 175.29 174.38 1nea n SER 8 N 0.79 0.00 0.00 5.90 7.64 -1.26 -0.97 113.62 125.72 1nea n SER 8 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1nea n SER 8 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1nea n SER 8 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1nea n SER 9 N 0.00 0.58 -4.80 6.43 3.41 -1.26 -5.08 113.62 112.89 1nea n SER 9 Ca 0.00 -1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.05 1nea n SER 9 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.23 3.17 0.93 4.33 1.11 -0.14 -5.02 119.66 123.80 1nea s GLN 10 Ca 0.00 1.15 -0.11 0.00 0.01 0.00 0.00 55.36 56.41 1nea s GLN 10 Cb 0.00 -2.01 0.15 0.00 -1.01 0.00 0.00 33.01 30.14 1nea s GLN 10 CO 0.00 -0.93 1.10 -1.25 0.01 0.00 0.00 175.29 174.22 1nea s PRO 11 N -4.34 0.92 0.18 2.91 0.04 -1.26 -4.72 135.00 128.73 1nea s PRO 11 Ca 0.62 1.11 -0.32 0.00 0.04 0.00 0.00 61.00 62.45 1nea s PRO 11 Cb -0.16 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1nea s PRO 11 CO 0.42 -2.56 1.65 -1.25 0.04 0.00 0.00 177.00 175.31 1nea s PRO 12 N -4.75 4.17 0.08 0.56 0.04 -1.26 -4.88 135.00 128.95 1nea s PRO 12 Ca 0.65 2.49 -0.00 0.00 0.04 0.00 0.00 61.00 64.17 1nea s PRO 12 Cb -0.21 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1nea s PRO 12 CO 0.59 -0.69 -0.02 0.95 0.04 0.00 0.00 177.00 177.86 1nea s THR 13 N 1.26 0.32 0.21 1.26 -4.23 -1.26 -5.06 115.64 108.14 1nea s THR 13 Ca 0.73 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1nea s THR 13 Cb -0.47 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1nea s THR 13 CO 0.32 -0.87 0.26 0.28 -0.54 0.00 0.00 174.62 174.06 1nea s THR 14 N -3.87 0.01 0.12 3.99 -1.32 -1.26 -2.35 115.64 110.96 1nea s THR 14 Ca 0.11 -1.75 -0.05 0.00 -1.21 0.00 0.00 61.69 58.79 1nea s THR 14 Cb 0.07 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.71 1nea s THR 14 CO -0.07 -0.05 0.15 -0.54 -2.21 0.00 0.00 174.62 171.90 1nea s LYS 15 N -4.09 0.95 -0.05 7.08 -0.14 -0.95 -4.88 119.74 117.66 1nea s LYS 15 Ca 0.31 -1.23 0.06 0.00 -1.36 0.00 0.00 55.97 53.74 1nea s LYS 15 Cb 0.04 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.48 1nea s LYS 15 CO 0.10 -0.30 -0.23 0.95 -0.76 0.00 0.00 175.35 175.11 1nea s THR 16 N -3.97 1.85 -0.48 2.17 -4.23 -1.26 -2.40 115.64 107.32 1nea s THR 16 Ca 0.16 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1nea s THR 16 Cb 0.06 -1.57 0.28 0.00 1.34 0.00 0.00 72.50 72.61 1nea s THR 16 CO -0.03 0.52 0.67 0.00 -0.54 0.00 0.00 174.62 175.24 1nea s PRO 18 N -2.01 2.04 0.00 0.00 0.04 -1.26 -2.18 135.00 131.63 1nea s PRO 18 Ca 0.39 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1nea s PRO 18 Cb 0.21 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 30.06 1nea s PRO 18 CO -0.08 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 173.71 1nea n GLY 19 N 6.37 0.97 3.98 0.56 0.00 -1.26 -4.95 105.19 110.86 1nea n GLY 19 Ca 0.39 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 3.25 0.00 1.61 2.02 -0.93 -5.02 118.70 119.63 1nea s GLU 20 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1nea s GLU 20 Cb 0.00 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1nea s GLU 20 CO 0.00 0.15 0.62 0.25 0.02 0.00 0.00 175.26 176.30 1nea n THR 21 N -1.63 0.34 -4.31 3.63 -2.24 -1.26 -3.65 114.28 105.15 1nea n THR 21 Ca -0.03 -0.59 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1nea n THR 21 Cb 0.57 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.34 1.79 0.22 3.42 -0.87 -1.26 -4.79 114.94 113.10 1nea s ASN 22 Ca 0.00 -1.19 0.08 0.00 -1.57 0.00 0.00 52.86 50.18 1nea s ASN 22 Cb 0.00 0.01 -0.05 0.00 -0.02 0.00 0.00 41.25 41.20 1nea s ASN 22 CO 0.00 -0.49 -0.14 0.00 -2.57 0.00 0.00 177.10 173.89 1nea s TYR 24 N -2.93 1.24 0.02 0.00 1.13 -0.69 -2.30 117.35 113.82 1nea s TYR 24 Ca 0.24 -0.98 0.05 0.00 -1.41 0.00 0.00 57.07 54.96 1nea s TYR 24 Cb -0.01 -0.70 -0.02 0.00 -1.10 0.00 0.00 41.96 40.13 1nea s TYR 24 CO 0.08 -0.17 -0.15 0.15 -2.51 0.00 0.00 175.55 172.96 1nea s LYS 25 N -3.89 1.05 0.03 -3.49 1.02 -0.75 -1.86 119.74 111.86 1nea s LYS 25 Ca 0.23 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1nea s LYS 25 Cb 0.06 -1.05 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 1nea s LYS 25 CO 0.04 0.27 -0.10 0.21 -0.92 0.00 0.00 175.35 174.85 1nea s LYS 26 N -0.79 0.71 -0.05 1.68 2.20 -0.95 -2.13 119.74 120.40 1nea s LYS 26 Ca 0.04 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 1nea s LYS 26 Cb -0.07 -0.64 0.01 0.00 -1.51 0.00 0.00 37.83 35.63 1nea s LYS 26 CO 0.01 0.15 0.17 0.08 -0.36 0.00 0.00 175.35 175.40 1nea s VAL 27 N -0.87 0.02 0.07 4.02 1.01 -0.99 -2.32 120.40 121.35 1nea s VAL 27 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1nea s VAL 27 Cb -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1nea s VAL 27 CO 0.01 -0.11 0.39 -1.66 0.00 0.00 0.00 175.10 173.73 1nea s TRP 28 N -0.33 -0.21 0.28 5.22 -2.14 -1.03 -2.40 118.94 118.33 1nea s TRP 28 Ca -0.04 0.06 0.09 0.00 2.66 0.00 0.00 56.10 58.87 1nea s TRP 28 Cb -0.03 0.21 -0.06 0.00 -3.10 0.00 0.00 33.47 30.49 1nea s TRP 28 CO 0.01 -0.60 -0.12 1.03 -2.66 0.00 0.00 176.95 174.61 1nea s ARG 29 N -2.94 1.60 0.18 3.25 0.52 -1.26 -2.36 118.95 117.94 1nea s ARG 29 Ca -0.02 -1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 53.38 1nea s ARG 29 Cb 0.00 -1.42 0.01 0.00 0.52 0.00 0.00 34.95 34.07 1nea s ARG 29 CO -0.06 0.16 0.29 -3.47 0.02 0.00 0.00 175.30 172.25 1nea n ASP 30 N -0.60 -0.83 -0.04 0.23 2.03 -0.51 -4.98 116.55 111.85 1nea n ASP 30 Ca -0.06 -1.88 -0.07 0.00 0.52 0.00 0.00 54.79 53.30 1nea n ASP 30 Cb 0.62 1.48 0.11 0.00 -0.72 0.00 0.00 41.12 42.61 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 1.50 0.74 0.00 -0.67 3.86 -2.04 -3.23 115.15 115.30 1nea h HIS 31 Ca -0.15 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 1nea h HIS 31 Cb 0.59 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1nea h HIS 31 CO 0.00 0.87 -0.73 0.00 0.86 0.00 0.00 177.93 178.93 1nea h ARG 32 N 0.55 0.00 0.00 2.45 -0.00 -2.04 -3.50 114.38 111.84 1nea h ARG 32 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 1nea h ARG 32 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.77 1nea h ARG 32 CO 0.07 0.10 0.00 0.41 0.00 0.00 0.00 179.97 180.55 1nea n GLY 33 N 1.20 -0.62 3.15 0.04 0.00 -1.22 -5.17 105.19 102.57 1nea n GLY 33 Ca -0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.00 0.13 0.18 2.61 -1.32 -1.26 -1.42 115.64 111.56 1nea s THR 34 Ca 0.00 -1.91 -0.09 0.00 -1.21 0.00 0.00 61.69 58.48 1nea s THR 34 Cb 0.00 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 1nea s THR 34 CO 0.00 -0.49 0.30 -0.63 -2.21 0.00 0.00 174.62 171.60 1nea s ILE 35 N -4.03 0.05 0.04 5.08 1.01 -1.00 -5.02 121.20 117.33 1nea s ILE 35 Ca 0.23 -1.45 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1nea s ILE 35 Cb 0.07 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1nea s ILE 35 CO 0.01 -0.22 -0.07 -0.63 0.00 0.00 0.00 174.94 174.03 1nea s ILE 36 N -3.99 0.49 0.09 2.92 1.09 -1.26 -2.45 121.20 118.08 1nea s ILE 36 Ca 0.20 -1.05 -0.11 0.00 -1.10 0.00 0.00 60.65 58.59 1nea s ILE 36 Cb 0.03 -0.56 0.01 0.00 -1.06 0.00 0.00 42.46 40.88 1nea s ILE 36 CO 0.03 -0.39 0.26 -1.83 -0.10 0.00 0.00 174.94 172.90 1nea s GLU 37 N -1.56 0.89 0.26 2.79 -1.05 -0.98 -4.33 118.70 114.73 1nea s GLU 37 Ca -0.11 -0.83 0.11 0.00 -0.15 0.00 0.00 54.97 53.99 1nea s GLU 37 Cb -0.10 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 1nea s GLU 37 CO 0.00 -0.30 -0.14 1.03 0.95 0.00 0.00 175.26 176.80 1nea s ARG 38 N -3.66 1.87 0.08 -4.83 3.00 -1.26 -2.25 118.95 111.90 1nea s ARG 38 Ca 0.03 -1.59 -0.11 0.00 0.00 0.00 0.00 55.73 54.06 1nea s ARG 38 Cb 0.03 -1.93 0.04 0.00 0.00 0.00 0.00 34.95 33.09 1nea s ARG 38 CO -0.10 0.36 0.52 0.41 0.00 0.00 0.00 175.30 176.49 1nea n GLY 39 N -0.53 0.90 3.73 -3.53 0.00 -0.78 -4.90 105.19 100.09 1nea n GLY 39 Ca -0.07 -1.02 -0.33 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 1.39 -1.45 2.69 0.00 0.00 -0.57 -4.72 105.19 102.54 1nea n GLY 41 Ca -0.14 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 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 0.53 -1.89 0.86 0.00 0.02 -1.26 -5.07 135.00 128.20 1nea s PRO 43 Ca 0.32 -0.01 -0.11 0.00 0.02 0.00 0.00 61.00 61.21 1nea s PRO 43 Cb 0.19 -1.51 0.11 0.00 0.02 0.00 0.00 34.50 33.31 1nea s PRO 43 CO -0.21 -4.16 1.09 0.95 -0.33 0.00 0.00 177.00 174.34 1nea s THR 44 N -2.75 2.79 0.41 0.99 -4.23 -1.26 -5.07 115.64 106.52 1nea s THR 44 Ca 0.70 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1nea s THR 44 Cb -0.11 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 1nea s THR 44 CO 0.57 -0.34 0.16 0.54 -0.54 0.00 0.00 174.62 175.01 1nea s VAL 45 N -3.00 2.32 0.08 2.29 0.11 -1.26 -5.06 120.40 115.88 1nea s VAL 45 Ca 0.63 -1.74 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 1nea s VAL 45 Cb -0.17 -2.99 -0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1nea s VAL 45 CO 0.56 -0.02 0.19 -0.54 -3.33 0.00 0.00 175.10 171.96 1nea s LYS 46 N -3.88 0.80 0.09 1.54 1.02 -1.26 -5.10 119.74 112.96 1nea s LYS 46 Ca 0.40 -0.88 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 1nea s LYS 46 Cb 0.04 0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 37.59 1nea s LYS 46 CO 0.22 -0.25 1.56 -1.25 -0.92 0.00 0.00 175.35 174.71 1nea s PRO 47 N -3.55 4.23 0.00 -1.68 0.04 -1.26 -2.36 135.00 130.42 1nea s PRO 47 Ca 0.03 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1nea s PRO 47 Cb 0.03 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1nea s PRO 47 CO -0.09 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1nea n GLY 48 N 3.82 2.77 3.66 0.56 0.00 -1.26 -5.06 105.19 109.68 1nea n GLY 48 Ca 0.14 0.00 -0.23 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 -2.47 3.42 0.09 -0.61 1.01 -1.00 -4.59 121.20 117.04 1nea s ILE 49 Ca 0.00 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 58.86 1nea s ILE 49 Cb 0.00 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1nea s ILE 49 CO 0.00 -0.35 -0.20 -0.54 0.00 0.00 0.00 174.94 173.85 1nea s LYS 50 N -3.70 1.16 0.11 2.79 -0.14 -1.01 -4.65 119.74 114.30 1nea s LYS 50 Ca 0.32 -1.10 -0.06 0.00 -1.36 0.00 0.00 55.97 53.78 1nea s LYS 50 Cb -0.06 -1.38 -0.02 0.00 -1.68 0.00 0.00 37.83 34.69 1nea s LYS 50 CO 0.20 0.33 0.14 -1.17 -0.76 0.00 0.00 175.35 174.10 1nea s LEU 51 N -1.73 1.58 -0.01 3.17 0.20 -1.26 -2.36 118.68 118.27 1nea s LEU 51 Ca 0.06 -0.89 -0.24 0.00 0.69 0.00 0.00 54.13 53.76 1nea s LEU 51 Cb -0.10 0.77 0.05 0.00 -0.43 0.00 0.00 46.19 46.48 1nea s LEU 51 CO 0.04 -0.75 0.53 0.20 -0.29 0.00 0.00 176.35 176.08 1nea s ASN 52 N -2.94 -0.46 0.07 3.68 0.01 -0.91 -5.00 114.94 109.39 1nea s ASN 52 Ca 0.12 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.67 1nea s ASN 52 Cb 0.06 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 42.14 1nea s ASN 52 CO -0.05 -0.59 -0.06 0.00 -1.51 0.00 0.00 177.10 174.88 1nea n THR 55 N -0.06 0.00 -2.68 0.00 -2.24 -1.26 -2.51 114.28 105.53 1nea n THR 55 Ca -0.07 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.25 1nea n THR 55 Cb 0.63 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.70 3.98 0.58 4.28 -4.23 -1.26 -4.91 115.64 112.38 1nea s THR 56 Ca -0.00 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1nea s THR 56 Cb 0.01 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1nea s THR 56 CO 0.05 -0.46 0.93 -1.81 -0.54 0.00 0.00 174.62 172.79 1nea s ASP 57 N -4.24 6.03 -1.43 3.99 1.11 -1.26 -4.11 116.67 116.77 1nea s ASP 57 Ca 0.51 1.09 -0.00 0.00 0.18 0.00 0.00 52.55 54.32 1nea s ASP 57 Cb -0.10 -2.19 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1nea s ASP 57 CO 0.42 -0.86 0.38 1.17 1.18 0.00 0.00 175.17 177.46 1nea n LYS 58 N -2.58 -3.06 -0.04 8.23 4.81 -1.26 -4.88 118.16 119.38 1nea n LYS 58 Ca 0.04 0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 57.64 1nea n LYS 58 Cb 0.55 -4.44 -0.13 0.00 0.02 0.00 0.00 35.03 31.03 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 -3.47 7.29 0.00 0.00 6.94 -1.26 -5.16 115.26 119.61 1nea n ASN 60 Ca -0.36 -3.34 0.12 0.00 -0.02 0.00 0.00 54.58 50.98 1nea n ASN 60 Cb 1.02 -1.25 0.71 0.00 -2.36 0.00 0.00 39.78 37.90 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03