#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1len s THR 2 N 0.00 1.95 0.17 2.52 2.01 -1.26 -5.14 115.64 115.89 1len s THR 2 Ca 0.00 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.12 1len s THR 2 Cb 0.00 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1len s THR 2 CO 0.00 0.53 0.01 -0.94 -0.69 0.00 0.00 174.62 173.52 1len s SER 3 N 1.03 1.13 -0.02 3.53 1.04 -1.26 -5.14 113.70 114.02 1len s SER 3 Ca -0.02 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.25 1len s SER 3 Cb -0.14 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1len s SER 3 CO -0.06 -0.59 -0.08 -0.31 0.98 0.00 0.00 173.24 173.18 1len s TYR 4 N -3.69 0.80 -0.01 5.02 1.51 -1.26 -5.15 117.35 114.57 1len s TYR 4 Ca 0.24 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1len s TYR 4 Cb 0.06 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.36 1len s TYR 4 CO 0.04 -0.05 -0.07 0.99 -1.11 0.00 0.00 175.55 175.35 1len s THR 5 N 0.02 0.54 0.00 -0.71 2.01 -1.26 -5.15 115.64 111.10 1len s THR 5 Ca -0.00 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1len s THR 5 Cb -0.06 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1len s THR 5 CO -0.00 0.16 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.82 1len s LEU 6 N -0.09 2.05 0.02 4.42 2.96 -1.26 -5.17 118.68 121.61 1len s LEU 6 Ca 0.02 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1len s LEU 6 Cb -0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1len s LEU 6 CO -0.00 -0.01 -0.04 0.54 -1.32 0.00 0.00 176.35 175.52 1len s ASN 7 N -0.37 0.44 -0.06 3.68 4.22 -1.26 -5.16 114.94 116.43 1len s ASN 7 Ca -0.01 -0.34 -0.19 0.00 -2.14 0.00 0.00 52.86 50.18 1len s ASN 7 Cb -0.03 0.03 0.04 0.00 1.28 0.00 0.00 41.25 42.57 1len s ASN 7 CO -0.00 -0.14 0.44 -0.70 -2.04 0.00 0.00 177.10 174.65 1len s GLU 8 N -0.95 0.74 -0.17 3.55 2.56 -1.26 -5.13 118.70 118.03 1len s GLU 8 Ca -0.08 0.12 -0.25 0.00 0.00 0.00 0.00 54.97 54.76 1len s GLU 8 Cb -0.07 0.34 -0.01 0.00 2.00 0.00 0.00 34.13 36.39 1len s GLU 8 CO -0.00 -0.19 0.83 0.08 -0.56 0.00 0.00 175.26 175.42 1len s VAL 9 N -0.92 4.88 -0.18 3.70 1.01 -1.26 -5.02 120.40 122.61 1len s VAL 9 Ca -0.10 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1len s VAL 9 Cb -0.03 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1len s VAL 9 CO 0.05 0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 1len s VAL 10 N 2.16 1.46 -1.24 2.92 1.01 -1.26 -5.06 120.40 120.39 1len s VAL 10 Ca 0.38 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1len s VAL 10 Cb -0.17 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.74 1len s VAL 10 CO 0.12 0.18 1.64 -2.16 0.00 0.00 0.00 175.10 174.88 1len s PRO 11 N 1.48 3.95 0.28 2.72 0.04 -1.26 -4.84 135.00 137.37 1len s PRO 11 Ca -0.00 -1.97 0.01 0.00 0.04 0.00 0.00 61.00 59.07 1len s PRO 11 Cb -0.16 -5.43 0.65 0.00 0.04 0.00 0.00 34.50 29.60 1len s PRO 11 CO -0.08 -2.17 1.67 -0.07 0.04 0.00 0.00 177.00 176.39 1len h LEU 12 N 12.12 0.11 -2.01 -3.56 3.38 -1.97 -0.05 115.31 123.33 1len h LEU 12 Ca 0.39 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.65 1len h LEU 12 Cb 0.89 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1len h LEU 12 CO 1.42 -0.07 0.32 0.50 0.09 0.00 0.00 178.44 180.69 1len h LYS 13 N 0.29 0.00 0.00 1.13 3.64 -1.88 -1.54 116.57 118.21 1len h LYS 13 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1len h LYS 13 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1len h LYS 13 CO -0.57 0.00 -0.92 -0.25 -2.27 0.00 0.00 179.45 175.43 1len n ASP 14 N -4.34 0.63 -0.13 4.20 8.00 -0.04 -4.54 116.55 120.32 1len n ASP 14 Ca 0.07 -0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.13 1len n ASP 14 Cb 0.51 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 1len n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1len n VAL 15 N -1.93 1.47 -4.09 2.53 0.31 -0.66 -5.03 118.33 110.93 1len n VAL 15 Ca 0.02 -0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 63.68 1len n VAL 15 Cb 0.42 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 1len n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1len s VAL 16 N -2.50 4.52 1.17 2.52 -7.23 -0.71 -5.11 120.40 113.07 1len s VAL 16 Ca -0.36 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 58.45 1len s VAL 16 Cb 0.13 -3.36 0.27 0.00 0.56 0.00 0.00 36.38 33.98 1len s VAL 16 CO 0.51 -0.20 1.08 -2.84 -0.31 0.00 0.00 175.10 173.34 1len s PRO 17 N -3.40 -0.97 0.27 4.82 0.02 -1.26 -4.76 135.00 129.73 1len s PRO 17 Ca 0.32 0.14 -0.01 0.00 0.02 0.00 0.00 61.00 61.47 1len s PRO 17 Cb -0.09 -1.61 0.38 0.00 0.02 0.00 0.00 34.50 33.20 1len s PRO 17 CO 0.24 -3.59 1.79 0.93 -0.33 0.00 0.00 177.00 176.04 1len h GLU 18 N -2.50 0.76 -5.61 5.54 5.08 -1.97 -3.41 114.58 112.47 1len h GLU 18 Ca -0.48 -0.19 -0.67 0.00 -1.00 0.00 0.00 59.36 57.01 1len h GLU 18 Cb 1.31 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 1len h GLU 18 CO 0.41 0.76 -0.80 -1.58 -1.00 0.00 0.00 179.01 176.79 1len s TRP 19 N -5.03 2.69 0.29 4.33 0.52 -1.26 -5.12 118.94 115.36 1len s TRP 19 Ca -0.09 -0.63 0.03 0.00 0.02 0.00 0.00 56.10 55.42 1len s TRP 19 Cb 0.15 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 1len s TRP 19 CO 0.80 -0.17 0.14 0.14 0.02 0.00 0.00 176.95 177.88 1len s VAL 20 N 0.07 0.38 -0.07 4.03 -7.23 -1.26 -5.15 120.40 111.17 1len s VAL 20 Ca -0.07 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1len s VAL 20 Cb -0.15 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1len s VAL 20 CO 0.05 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.51 1len s ARG 21 N -3.88 2.73 0.07 4.82 0.52 -1.26 -5.15 118.95 116.80 1len s ARG 21 Ca 0.36 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 1len s ARG 21 Cb 0.06 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1len s ARG 21 CO 0.16 0.39 0.08 0.96 0.02 0.00 0.00 175.30 176.91 1len s ILE 22 N -0.16 4.54 0.00 1.52 -4.36 -1.26 -5.11 121.20 116.37 1len s ILE 22 Ca -0.03 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.64 1len s ILE 22 Cb -0.14 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.41 1len s ILE 22 CO 0.04 0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.99 1len n GLY 23 N 0.58 0.99 3.29 6.27 0.00 -1.26 -5.16 105.19 109.90 1len n GLY 23 Ca -0.09 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 1len n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1len s PHE 24 N -3.72 1.69 0.05 1.61 0.08 -1.26 -5.15 117.98 111.27 1len s PHE 24 Ca 0.00 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.59 1len s PHE 24 Cb 0.00 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 1len s PHE 24 CO 0.00 0.24 -0.06 0.45 -0.10 0.00 0.00 175.22 175.75 1len s SER 25 N -2.36 0.76 -0.10 1.36 0.15 -1.26 -5.16 113.70 107.09 1len s SER 25 Ca 0.11 -0.63 -0.25 0.00 0.70 0.00 0.00 55.95 55.88 1len s SER 25 Cb -0.07 0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1len s SER 25 CO 0.05 -0.28 0.59 0.00 1.20 0.00 0.00 173.24 174.79 1len s ALA 26 N -1.86 -1.50 0.13 5.45 0.00 -1.26 -5.17 121.76 117.56 1len s ALA 26 Ca -0.07 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1len s ALA 26 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1len s ALA 26 CO -0.01 -0.32 0.13 0.95 0.00 0.00 0.00 175.76 176.50 1len s THR 27 N -0.75 0.10 0.18 0.00 -4.23 -1.26 -5.13 115.64 104.55 1len s THR 27 Ca -0.08 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1len s THR 27 Cb -0.02 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 1len s THR 27 CO 0.06 -0.46 -0.06 0.42 -0.54 0.00 0.00 174.62 174.03 1len s THR 28 N -4.00 1.13 0.00 3.99 -4.23 -1.26 -4.89 115.64 106.37 1len s THR 28 Ca 0.20 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1len s THR 28 Cb 0.06 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1len s THR 28 CO -0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1len n GLY 29 N -0.29 3.64 0.13 3.99 0.00 -1.26 -4.96 105.19 106.45 1len n GLY 29 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 1len n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1len h ALA 30 N 1.00 0.92 -2.73 4.61 0.00 -2.07 -3.41 119.26 117.58 1len h ALA 30 Ca 0.00 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 1len h ALA 30 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1len h ALA 30 CO 0.00 0.80 -0.35 -1.21 0.00 0.00 0.00 179.25 178.49 1len s GLU 31 N -3.52 3.61 0.29 0.00 2.02 -1.26 -5.11 118.70 114.73 1len s GLU 31 Ca -0.01 -0.06 -0.08 0.00 0.02 0.00 0.00 54.97 54.84 1len s GLU 31 Cb 0.12 -3.01 -0.00 0.00 0.10 0.00 0.00 34.13 31.34 1len s GLU 31 CO 0.76 0.59 0.46 -0.59 0.02 0.00 0.00 175.26 176.51 1len s PHE 32 N -1.41 0.67 0.06 1.61 -0.12 -1.26 -4.80 117.98 112.73 1len s PHE 32 Ca 0.32 -0.99 -0.27 0.00 -0.05 0.00 0.00 56.93 55.95 1len s PHE 32 Cb -0.13 0.07 0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1len s PHE 32 CO 0.19 -1.05 0.82 0.00 -0.05 0.00 0.00 175.22 175.14 1len s ALA 33 N -3.59 -1.73 0.06 1.99 0.00 -1.26 -5.04 121.76 112.19 1len s ALA 33 Ca 0.26 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.81 1len s ALA 33 Cb -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 1len s ALA 33 CO 0.13 -0.77 0.45 0.00 0.00 0.00 0.00 175.76 175.58 1len s ALA 34 N -3.32 3.67 -0.19 0.00 0.00 -1.26 -4.92 121.76 115.74 1len s ALA 34 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1len s ALA 34 Cb -0.01 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1len s ALA 34 CO -0.08 0.49 -0.11 -0.65 0.00 0.00 0.00 175.76 175.41 1len s GLN 35 N -1.47 2.10 0.09 0.00 -1.52 -1.26 -5.12 119.66 112.48 1len s GLN 35 Ca 0.29 -0.80 0.05 0.00 -1.95 0.00 0.00 55.36 52.95 1len s GLN 35 Cb -0.16 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.23 1len s GLN 35 CO 0.16 -0.39 -0.12 -1.21 -0.25 0.00 0.00 175.29 173.48 1len s GLU 36 N 1.41 0.84 -0.11 2.91 2.02 -1.26 -5.09 118.70 119.43 1len s GLU 36 Ca -0.00 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 53.96 1len s GLU 36 Cb -0.16 -0.71 -0.01 0.00 0.10 0.00 0.00 34.13 33.35 1len s GLU 36 CO -0.09 0.14 -0.19 0.08 0.02 0.00 0.00 175.26 175.22 1len s VAL 37 N -1.79 2.53 -0.07 2.63 1.01 -1.26 -5.03 120.40 118.43 1len s VAL 37 Ca 0.02 -0.85 0.20 0.00 0.00 0.00 0.00 61.98 61.34 1len s VAL 37 Cb -0.07 -2.01 -0.31 0.00 0.00 0.00 0.00 36.38 33.99 1len s VAL 37 CO 0.02 0.55 0.36 1.41 0.00 0.00 0.00 175.10 177.44 1len n HIS 38 N 3.43 0.00 -3.44 5.22 8.25 -1.26 -5.03 115.22 122.38 1len n HIS 38 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 1len n HIS 38 Cb 0.53 -0.61 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 1len n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1len s SER 39 N -4.70 -0.56 -0.29 0.41 1.04 -1.26 -5.17 113.70 103.16 1len s SER 39 Ca -0.08 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 1len s SER 39 Cb 0.12 0.59 0.12 0.00 0.10 0.00 0.00 66.02 66.94 1len s SER 39 CO 0.86 -0.92 0.72 0.86 0.98 0.00 0.00 173.24 175.74 1len s TRP 40 N -3.47 -1.13 0.16 5.02 -0.00 -1.26 -5.17 118.94 113.10 1len s TRP 40 Ca -0.00 2.06 0.10 0.00 -0.00 0.00 0.00 56.10 58.26 1len s TRP 40 Cb -0.01 0.68 -0.04 0.00 -0.00 0.00 0.00 33.47 34.10 1len s TRP 40 CO -0.10 -0.56 -0.18 -1.12 -0.00 0.00 0.00 176.95 174.99 1len s SER 41 N 2.31 3.82 -0.28 5.86 0.01 -1.26 -5.16 113.70 119.01 1len s SER 41 Ca -0.07 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.33 1len s SER 41 Cb -0.08 -0.49 0.10 0.00 0.21 0.00 0.00 66.02 65.76 1len s SER 41 CO -0.19 0.14 0.81 0.12 0.41 0.00 0.00 173.24 174.53 1len s PHE 42 N -1.47 -0.82 -0.04 2.43 5.36 -1.26 -5.16 117.98 117.02 1len s PHE 42 Ca 0.21 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 57.90 1len s PHE 42 Cb -0.09 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.09 1len s PHE 42 CO 0.11 -0.41 0.04 1.21 -1.46 0.00 0.00 175.22 174.71 1len s ASN 43 N 1.18 0.92 0.09 6.13 3.84 -1.26 -5.16 114.94 120.69 1len s ASN 43 Ca -0.07 0.03 0.05 0.00 0.21 0.00 0.00 52.86 53.08 1len s ASN 43 Cb -0.05 -0.19 -0.03 0.00 -0.55 0.00 0.00 41.25 40.43 1len s ASN 43 CO -0.14 -0.20 -0.14 -0.94 -2.79 0.00 0.00 177.10 172.90 1len s SER 44 N 1.76 1.76 -0.10 -4.21 1.04 -1.26 -5.14 113.70 107.54 1len s SER 44 Ca 0.00 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 1len s SER 44 Cb -0.12 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 65.99 1len s SER 44 CO -0.03 -0.12 0.07 -1.10 0.98 0.00 0.00 173.24 173.04 1len s GLN 45 N -2.15 0.08 -0.27 4.02 -0.21 -1.26 -5.13 119.66 114.74 1len s GLN 45 Ca 0.02 0.12 -0.10 0.00 0.02 0.00 0.00 55.36 55.43 1len s GLN 45 Cb -0.08 -1.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 1len s GLN 45 CO 0.02 -0.48 0.15 -1.17 -2.12 0.00 0.00 175.29 171.69 1len s LEU 46 N 2.12 3.87 0.00 2.90 2.96 -1.26 -5.37 118.68 123.91 1len s LEU 46 Ca 0.03 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1len s LEU 46 Cb -0.14 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1len s LEU 46 CO -0.06 -0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.55