#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 4.54 0.20 3.34 2.01 -1.26 -5.11 115.64 119.36 1len s THR 2 Ca 0.00 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1len s THR 2 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1len s THR 2 CO 0.00 0.38 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.21 1len s SER 3 N 1.16 2.67 -0.02 3.53 1.04 -1.26 -5.15 113.70 115.67 1len s SER 3 Ca 0.05 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1len s SER 3 Cb -0.14 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.84 1len s SER 3 CO 0.03 -0.12 0.05 -0.31 0.98 0.00 0.00 173.24 173.88 1len s TYR 4 N -2.67 -0.02 -0.02 5.02 2.02 -1.26 -5.16 117.35 115.25 1len s TYR 4 Ca 0.21 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1len s TYR 4 Cb -0.03 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1len s TYR 4 CO 0.07 -0.07 -0.05 0.95 -1.57 0.00 0.00 175.55 174.88 1len s THR 5 N 0.68 0.53 -0.03 -0.71 -4.23 -1.26 -5.15 115.64 105.47 1len s THR 5 Ca -0.06 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1len s THR 5 Cb -0.08 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1len s THR 5 CO -0.02 0.19 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.91 1len s LEU 6 N 0.41 1.82 0.08 4.79 2.96 -1.26 -5.15 118.68 122.33 1len s LEU 6 Ca -0.05 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1len s LEU 6 Cb -0.09 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1len s LEU 6 CO -0.00 0.09 -0.21 0.20 -1.32 0.00 0.00 176.35 175.11 1len s ASN 7 N 0.15 2.56 -0.17 3.68 0.01 -1.26 -5.16 114.94 114.75 1len s ASN 7 Ca -0.03 -0.63 -0.28 0.00 -0.71 0.00 0.00 52.86 51.20 1len s ASN 7 Cb -0.09 -0.17 0.10 0.00 0.41 0.00 0.00 41.25 41.50 1len s ASN 7 CO 0.01 0.10 0.87 -0.70 -1.51 0.00 0.00 177.10 175.87 1len s GLU 8 N -1.66 0.75 -0.11 -0.60 2.56 -1.26 -5.14 118.70 113.24 1len s GLU 8 Ca 0.07 0.42 -0.27 0.00 0.00 0.00 0.00 54.97 55.20 1len s GLU 8 Cb -0.10 0.36 -0.02 0.00 2.00 0.00 0.00 34.13 36.37 1len s GLU 8 CO 0.03 -0.18 0.88 0.08 -0.56 0.00 0.00 175.26 175.51 1len s VAL 9 N -0.58 4.88 -0.12 3.70 1.01 -1.26 -5.04 120.40 122.98 1len s VAL 9 Ca -0.03 1.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1len s VAL 9 Cb -0.02 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1len s VAL 9 CO 0.02 0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 1len s VAL 10 N 1.70 1.20 -1.23 2.92 1.01 -1.26 -5.07 120.40 119.68 1len s VAL 10 Ca 0.43 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1len s VAL 10 Cb -0.18 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.16 1len s VAL 10 CO 0.17 0.40 1.50 -2.16 0.00 0.00 0.00 175.10 175.01 1len s PRO 11 N 1.64 4.07 0.25 2.72 0.04 -1.26 -4.86 135.00 137.59 1len s PRO 11 Ca 0.05 -2.45 -0.11 0.00 0.04 0.00 0.00 61.00 58.53 1len s PRO 11 Cb -0.13 -5.16 0.35 0.00 0.04 0.00 0.00 34.50 29.60 1len s PRO 11 CO -0.09 -1.87 1.59 -0.07 0.04 0.00 0.00 177.00 176.60 1len h LEU 12 N 10.33 -0.79 -2.34 -3.56 3.38 -1.97 0.75 115.31 121.11 1len h LEU 12 Ca 0.34 0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.60 1len h LEU 12 Cb 0.87 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1len h LEU 12 CO 1.29 -0.28 0.13 0.50 0.09 0.00 0.00 178.44 180.18 1len h LYS 13 N -0.00 0.00 -0.01 1.13 3.64 -1.89 -0.45 116.57 118.98 1len h LYS 13 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1len h LYS 13 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1len h LYS 13 CO -0.86 0.00 -0.42 -0.25 -2.27 0.00 0.00 179.45 175.66 1len n ASP 14 N -3.73 1.71 -0.03 4.20 8.00 0.25 -4.52 116.55 122.43 1len n ASP 14 Ca -0.00 -1.32 -0.04 0.00 0.71 0.00 0.00 54.79 54.14 1len n ASP 14 Cb 0.24 0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.24 0.42 -4.22 2.53 0.31 -0.32 -5.05 118.33 111.76 1len n VAL 15 Ca 0.10 -0.19 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 1len n VAL 15 Cb 0.43 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.48 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 -2.15 3.55 1.14 2.52 -7.23 -0.35 -5.11 120.40 112.78 1len s VAL 16 Ca -0.08 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 1len s VAL 16 Cb 0.02 -2.74 0.27 0.00 0.56 0.00 0.00 36.38 34.50 1len s VAL 16 CO 0.19 -0.02 1.04 -2.16 -0.31 0.00 0.00 175.10 173.84 1len s PRO 17 N -2.64 -0.73 0.32 4.82 0.04 -1.26 -4.69 135.00 130.86 1len s PRO 17 Ca 0.25 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.07 1len s PRO 17 Cb -0.10 -1.58 0.55 0.00 0.04 0.00 0.00 34.50 33.41 1len s PRO 17 CO 0.17 -3.58 1.90 0.93 0.04 0.00 0.00 177.00 176.46 1len h GLU 18 N -2.51 0.72 -5.89 4.56 5.08 -1.97 -3.41 114.58 111.15 1len h GLU 18 Ca -0.61 -0.11 -0.68 0.00 -1.00 0.00 0.00 59.36 56.97 1len h GLU 18 Cb 1.33 -0.13 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1len h GLU 18 CO 0.52 0.61 -0.76 -1.58 -1.00 0.00 0.00 179.01 176.80 1len s TRP 19 N -5.29 2.76 0.24 4.33 0.52 -1.26 -5.13 118.94 115.11 1len s TRP 19 Ca -0.09 -0.35 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 1len s TRP 19 Cb 0.16 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1len s TRP 19 CO 0.78 0.03 0.24 0.14 0.02 0.00 0.00 176.95 178.16 1len s VAL 20 N -0.28 0.00 0.07 4.03 -7.23 -1.26 -5.14 120.40 110.59 1len s VAL 20 Ca 0.02 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1len s VAL 20 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1len s VAL 20 CO 0.03 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.47 1len s ARG 21 N -3.92 1.84 0.04 4.82 0.52 -1.26 -5.15 118.95 115.83 1len s ARG 21 Ca 0.36 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1len s ARG 21 Cb 0.04 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 1len s ARG 21 CO 0.15 0.51 -0.10 0.96 0.02 0.00 0.00 175.30 176.84 1len s ILE 22 N -0.94 3.41 0.01 1.52 -4.36 -1.26 -5.13 121.20 114.45 1len s ILE 22 Ca 0.14 -0.98 -0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1len s ILE 22 Cb -0.10 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.12 1len s ILE 22 CO 0.05 0.31 0.17 0.61 0.24 0.00 0.00 174.94 176.32 1len n GLY 23 N 1.33 0.87 3.29 6.27 0.00 -1.26 -5.16 105.19 110.54 1len n GLY 23 Ca -0.15 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.10 1.92 0.09 1.61 0.08 -1.26 -5.15 117.98 111.17 1len s PHE 24 Ca 0.04 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1len s PHE 24 Cb -0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1len s PHE 24 CO 0.00 0.18 -0.09 0.45 -0.10 0.00 0.00 175.22 175.67 1len s SER 25 N -1.65 1.34 -0.15 1.36 0.15 -1.26 -5.15 113.70 108.33 1len s SER 25 Ca 0.08 -0.82 -0.26 0.00 0.70 0.00 0.00 55.95 55.65 1len s SER 25 Cb -0.10 0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.31 1len s SER 25 CO 0.04 -0.29 0.66 0.00 1.20 0.00 0.00 173.24 174.84 1len s ALA 26 N -2.54 -1.67 0.15 5.45 0.00 -1.26 -5.16 121.76 116.73 1len s ALA 26 Ca 0.05 1.58 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1len s ALA 26 Cb -0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1len s ALA 26 CO -0.01 -0.34 0.16 0.95 0.00 0.00 0.00 175.76 176.52 1len s THR 27 N -0.39 0.09 0.11 0.00 -4.23 -1.26 -5.13 115.64 104.82 1len s THR 27 Ca -0.05 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1len s THR 27 Cb -0.03 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1len s THR 27 CO 0.05 -0.39 -0.09 0.42 -0.54 0.00 0.00 174.62 174.07 1len s THR 28 N -4.01 0.93 0.00 3.99 -4.23 -1.26 -4.90 115.64 106.16 1len s THR 28 Ca 0.21 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1len s THR 28 Cb 0.06 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1len s THR 28 CO 0.01 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1len n GLY 29 N 0.28 3.53 0.19 3.99 0.00 -1.26 -4.95 105.19 106.97 1len n GLY 29 Ca -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 0.99 -2.83 4.61 0.00 -2.07 -3.41 119.26 117.56 1len h ALA 30 Ca 0.00 -0.46 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 1len h ALA 30 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1len h ALA 30 CO 0.00 0.64 -0.50 -1.21 0.00 0.00 0.00 179.25 178.18 1len s GLU 31 N -4.02 3.39 0.27 0.00 2.02 -1.26 -5.11 118.70 113.99 1len s GLU 31 Ca -0.05 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 1len s GLU 31 Cb 0.13 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.29 1len s GLU 31 CO 0.79 0.68 0.36 1.97 0.02 0.00 0.00 175.26 179.08 1len n PHE 32 N 1.09 -1.18 -3.61 1.61 1.16 -1.26 -4.74 117.46 110.53 1len n PHE 32 Ca -0.12 -1.79 -0.03 0.00 -1.87 0.00 0.00 57.45 53.64 1len n PHE 32 Cb 0.53 0.41 -0.02 0.00 -1.61 0.00 0.00 39.48 38.79 1len n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1len s ALA 33 N -2.51 -2.14 0.03 1.98 0.00 -1.26 -5.04 121.76 112.83 1len s ALA 33 Ca 0.22 1.47 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 1len s ALA 33 Cb -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1len s ALA 33 CO 0.16 -0.68 0.45 0.00 0.00 0.00 0.00 175.76 175.69 1len s ALA 34 N -2.35 3.67 -0.13 0.00 0.00 -1.26 -4.92 121.76 116.78 1len s ALA 34 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1len s ALA 34 Cb 0.00 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1len s ALA 34 CO -0.04 0.46 -0.15 -0.65 0.00 0.00 0.00 175.76 175.38 1len s GLN 35 N -1.14 2.31 0.07 0.00 -1.52 -1.26 -5.12 119.66 113.00 1len s GLN 35 Ca 0.26 -0.58 -0.08 0.00 -1.95 0.00 0.00 55.36 53.01 1len s GLN 35 Cb -0.17 -2.03 -0.01 0.00 -0.22 0.00 0.00 33.01 30.58 1len s GLN 35 CO 0.15 -0.14 0.15 -1.83 -0.25 0.00 0.00 175.29 173.37 1len s GLU 36 N 1.21 0.77 -0.08 2.91 -1.05 -1.26 -5.09 118.70 116.12 1len s GLU 36 Ca -0.01 -0.93 0.04 0.00 -0.15 0.00 0.00 54.97 53.92 1len s GLU 36 Cb -0.14 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 1len s GLU 36 CO -0.06 -0.23 -0.21 0.08 0.95 0.00 0.00 175.26 175.80 1len s VAL 37 N -3.57 2.42 -0.05 1.83 1.01 -1.26 -5.04 120.40 115.74 1len s VAL 37 Ca 0.03 -0.92 0.20 0.00 0.00 0.00 0.00 61.98 61.28 1len s VAL 37 Cb 0.04 -1.93 -0.30 0.00 0.00 0.00 0.00 36.38 34.19 1len s VAL 37 CO -0.09 0.56 0.39 1.41 0.00 0.00 0.00 175.10 177.37 1len n HIS 38 N 3.03 0.00 -3.48 5.22 8.25 -1.26 -5.02 115.22 121.96 1len n HIS 38 Ca -0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.16 1len n HIS 38 Cb 0.52 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -4.49 -0.51 -0.25 0.41 1.04 -1.26 -5.17 113.70 103.47 1len s SER 39 Ca -0.08 0.20 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 1len s SER 39 Cb 0.12 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1len s SER 39 CO 0.84 -0.73 0.59 0.86 0.98 0.00 0.00 173.24 175.78 1len s TRP 40 N -2.73 -1.03 0.08 5.02 -0.00 -1.26 -5.17 118.94 113.85 1len s TRP 40 Ca -0.01 1.96 0.06 0.00 -0.00 0.00 0.00 56.10 58.11 1len s TRP 40 Cb -0.01 0.58 -0.03 0.00 -0.00 0.00 0.00 33.47 34.01 1len s TRP 40 CO -0.05 -0.53 -0.16 0.45 -0.00 0.00 0.00 176.95 176.66 1len s SER 41 N 2.10 1.91 -0.06 5.86 0.15 -1.26 -5.16 113.70 117.24 1len s SER 41 Ca -0.08 -0.64 -0.16 0.00 0.70 0.00 0.00 55.95 55.78 1len s SER 41 Cb -0.09 -0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1len s SER 41 CO -0.17 -0.04 0.37 0.12 1.20 0.00 0.00 173.24 174.72 1len s PHE 42 N -1.25 -0.30 -0.11 3.44 5.36 -1.26 -5.16 117.98 118.70 1len s PHE 42 Ca 0.00 0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1len s PHE 42 Cb -0.10 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.77 1len s PHE 42 CO 0.03 -0.36 0.27 1.21 -1.46 0.00 0.00 175.22 174.91 1len s ASN 43 N -0.87 -0.26 0.07 6.13 3.04 -1.26 -5.17 114.94 116.63 1len s ASN 43 Ca -0.09 0.57 0.01 0.00 0.04 0.00 0.00 52.86 53.39 1len s ASN 43 Cb -0.04 0.47 -0.04 0.00 -1.54 0.00 0.00 41.25 40.10 1len s ASN 43 CO 0.04 -0.17 -0.06 -0.94 -3.04 0.00 0.00 177.10 172.92 1len s SER 44 N 1.34 0.92 -0.14 -4.21 1.04 -1.26 -5.14 113.70 106.25 1len s SER 44 Ca -0.09 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.42 1len s SER 44 Cb -0.10 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1len s SER 44 CO -0.09 -0.41 0.31 -1.10 0.98 0.00 0.00 173.24 172.94 1len s GLN 45 N -3.12 0.24 -0.22 4.02 -0.21 -1.26 -5.13 119.66 113.98 1len s GLN 45 Ca 0.04 0.74 -0.04 0.00 0.02 0.00 0.00 55.36 56.12 1len s GLN 45 Cb 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 33.01 34.01 1len s GLN 45 CO -0.04 -0.22 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.72 1len s LEU 46 N 1.90 2.99 0.00 2.90 2.96 -1.26 -5.37 118.68 122.80 1len s LEU 46 Ca -0.05 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1len s LEU 46 Cb -0.11 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1len s LEU 46 CO -0.10 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.53