#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rel n GLN 2 N 0.00 -0.96 -3.66 0.00 10.64 -1.26 -4.91 117.38 117.23 2rel n GLN 2 Ca 0.00 -0.49 -0.39 0.00 -1.83 0.00 0.00 57.00 54.29 2rel n GLN 2 Cb 0.00 -0.99 -0.10 0.00 -0.86 0.00 0.00 30.24 28.29 2rel n GLN 2 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2rel s GLU 3 N -0.00 2.32 0.72 2.61 2.56 -1.26 -5.08 118.70 120.57 2rel s GLU 3 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 54.97 52.96 2rel s GLU 3 Cb 0.00 -3.77 0.02 0.00 2.00 0.00 0.00 34.13 32.38 2rel s GLU 3 CO 0.00 -1.14 1.08 -1.25 -0.56 0.00 0.00 175.26 173.38 2rel s PRO 4 N 1.06 2.72 0.17 4.30 0.04 -1.26 -5.09 135.00 136.94 2rel s PRO 4 Ca 0.08 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.85 2rel s PRO 4 Cb -0.24 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 2rel s PRO 4 CO -0.03 -1.19 0.10 1.55 0.04 0.00 0.00 177.00 177.47 2rel n VAL 5 N -3.15 0.00 -4.03 -0.36 3.14 -1.26 -5.15 118.33 107.52 2rel n VAL 5 Ca 0.07 -1.10 -0.30 0.00 -2.96 0.00 0.00 64.34 60.04 2rel n VAL 5 Cb 0.55 0.48 -0.06 0.00 -1.06 0.00 0.00 33.84 33.75 2rel n VAL 5 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2rel s LYS 6 N -2.67 2.99 0.00 1.45 2.20 -1.26 -4.82 119.74 117.63 2rel s LYS 6 Ca 0.14 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 2rel s LYS 6 Cb 0.01 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2rel s LYS 6 CO 0.10 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 2rel n GLY 7 N 0.36 0.34 0.00 5.54 0.00 -1.26 -5.13 105.19 105.03 2rel n GLY 7 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2rel n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rel n PRO 8 N 0.00 0.15 -1.30 1.61 -0.04 -1.26 -5.03 135.00 129.13 2rel n PRO 8 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2rel n PRO 8 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2rel n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2rel n VAL 9 N -1.51 0.53 -3.19 0.52 0.24 -1.26 -4.92 118.33 108.74 2rel n VAL 9 Ca 0.00 -1.55 -0.23 0.00 -2.04 0.00 0.00 64.34 60.52 2rel n VAL 9 Cb 0.00 0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 2rel n VAL 9 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2rel n SER 10 N 0.11 -0.11 -3.69 -1.34 7.64 -1.26 -4.87 113.62 110.11 2rel n SER 10 Ca 0.09 -2.68 -0.10 0.00 1.01 0.00 0.00 58.87 57.19 2rel n SER 10 Cb 1.04 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 2rel n SER 10 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2rel s THR 11 N -0.90 0.08 -0.38 0.44 -1.32 -1.26 -5.10 115.64 107.21 2rel s THR 11 Ca 0.35 -0.71 0.11 0.00 -1.21 0.00 0.00 61.69 60.23 2rel s THR 11 Cb 0.15 -1.25 0.34 0.00 -1.51 0.00 0.00 72.50 70.23 2rel s THR 11 CO -0.13 -0.35 0.72 2.29 -2.21 0.00 0.00 174.62 174.94 2rel n LYS 12 N -0.21 0.94 0.11 7.08 0.00 -1.26 -4.91 118.16 119.90 2rel n LYS 12 Ca -0.15 -3.30 -0.24 0.00 -0.00 0.00 0.00 58.31 54.62 2rel n LYS 12 Cb 0.63 -1.62 -0.15 0.00 -0.00 0.00 0.00 35.03 33.89 2rel n LYS 12 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2rel h PRO 13 N 3.13 0.47 0.00 -1.58 0.13 -1.94 -3.40 132.00 128.81 2rel h PRO 13 Ca 0.09 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2rel h PRO 13 Cb 0.96 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2rel h PRO 13 CO 0.48 1.38 0.00 0.41 -0.23 0.00 0.00 178.00 180.04 2rel n GLY 14 N 1.76 -2.74 2.75 1.56 0.00 -1.24 -4.85 105.19 102.41 2rel n GLY 14 Ca -0.19 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2rel n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rel n SER 15 N -0.32 -3.04 -4.86 1.61 2.88 -0.60 -4.77 113.62 104.51 2rel n SER 15 Ca 0.00 -2.97 -0.35 0.00 -1.33 0.00 0.00 58.87 54.22 2rel n SER 15 Cb 0.00 1.71 -0.05 0.00 -0.75 0.00 0.00 64.21 65.12 2rel n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rel n PRO 17 N 0.88 0.60 -2.99 0.00 -0.04 -1.26 -5.00 135.00 127.18 2rel n PRO 17 Ca -0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 2rel n PRO 17 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 2rel n PRO 17 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2rel s ILE 18 N -0.34 4.94 -0.13 0.52 1.10 -1.26 -4.96 121.20 121.06 2rel s ILE 18 Ca 0.00 1.56 -0.03 0.00 -0.51 0.00 0.00 60.65 61.68 2rel s ILE 18 Cb 0.00 -4.09 0.05 0.00 0.15 0.00 0.00 42.46 38.56 2rel s ILE 18 CO 0.00 0.28 0.04 -0.63 -2.11 0.00 0.00 174.94 172.51 2rel s ILE 19 N 0.56 0.28 -0.47 2.00 -1.09 -1.26 -4.97 121.20 116.25 2rel s ILE 19 Ca 0.39 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.54 2rel s ILE 19 Cb -0.19 -0.67 0.08 0.00 -1.58 0.00 0.00 42.46 40.10 2rel s ILE 19 CO 0.21 -0.02 0.37 -1.48 -1.23 0.00 0.00 174.94 172.79 2rel s LEU 20 N 1.99 5.57 -1.25 2.97 2.34 -1.26 -4.89 118.68 124.15 2rel s LEU 20 Ca 0.02 -1.42 -0.20 0.00 0.06 0.00 0.00 54.13 52.59 2rel s LEU 20 Cb -0.15 -2.14 0.00 0.00 -0.56 0.00 0.00 46.19 43.35 2rel s LEU 20 CO -0.07 -0.64 1.82 -0.51 -1.06 0.00 0.00 176.35 175.89 2rel s ILE 21 N 1.58 3.87 0.00 1.48 -1.16 -1.26 -3.42 121.20 122.29 2rel s ILE 21 Ca 0.04 -1.48 0.00 0.00 -0.51 0.00 0.00 60.65 58.69 2rel s ILE 21 Cb -0.25 -4.93 0.00 0.00 0.61 0.00 0.00 42.46 37.89 2rel s ILE 21 CO 0.05 -1.59 0.45 0.54 -2.81 0.00 0.00 174.94 171.59 2rel n ARG 22 N 8.35 0.43 0.00 3.50 5.12 -0.00 -4.87 116.66 129.20 2rel n ARG 22 Ca 0.47 -0.55 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2rel n ARG 22 Cb 0.46 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 2rel n ARG 22 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rel n ALA 24 N 0.00 6.97 -3.70 0.00 0.00 -1.26 -4.82 120.51 117.70 2rel n ALA 24 Ca 0.00 -3.96 -0.15 0.00 0.00 0.00 0.00 53.44 49.33 2rel n ALA 24 Cb 0.00 -2.91 -0.15 0.00 0.00 0.00 0.00 19.45 16.39 2rel n ALA 24 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2rel s MET 25 N -0.38 0.06 0.14 0.00 -1.94 -1.26 -5.13 119.30 110.79 2rel s MET 25 Ca 0.58 0.48 -0.30 0.00 -1.71 0.00 0.00 55.69 54.73 2rel s MET 25 Cb 0.18 -0.22 -0.07 0.00 2.01 0.00 0.00 34.83 36.73 2rel s MET 25 CO -0.09 -0.24 1.10 -1.17 -0.01 0.00 0.00 175.02 174.61 2rel s LEU 26 N 1.77 4.46 -0.05 -0.03 2.96 -1.26 -4.35 118.68 122.18 2rel s LEU 26 Ca -0.03 2.02 -0.00 0.00 -0.22 0.00 0.00 54.13 55.90 2rel s LEU 26 Cb -0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2rel s LEU 26 CO -0.06 -0.26 0.00 0.59 -1.32 0.00 0.00 176.35 175.30 2rel n ASN 27 N 2.83 -2.84 -4.66 3.68 4.13 -1.26 -4.95 115.26 112.19 2rel n ASN 27 Ca 0.04 0.21 -0.43 0.00 1.68 0.00 0.00 54.58 56.09 2rel n ASN 27 Cb 0.47 -1.65 -0.02 0.00 -1.54 0.00 0.00 39.78 37.04 2rel n ASN 27 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2rel s PRO 28 N -0.28 4.25 0.60 3.52 0.04 -1.26 -5.04 135.00 136.83 2rel s PRO 28 Ca -0.00 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 2rel s PRO 28 Cb 0.00 -3.73 0.14 0.00 0.04 0.00 0.00 34.50 30.95 2rel s PRO 28 CO 0.12 -0.67 0.78 -0.35 0.04 0.00 0.00 177.00 176.92 2rel n PRO 29 N 6.42 -0.96 -3.65 0.56 -0.04 -1.26 -4.77 135.00 131.29 2rel n PRO 29 Ca 0.13 -1.20 -0.07 0.00 -0.04 0.00 0.00 63.50 62.32 2rel n PRO 29 Cb 0.45 -0.84 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 2rel n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rel s ASN 30 N -3.82 -0.91 0.08 3.54 0.01 -1.26 -4.06 114.94 108.52 2rel s ASN 30 Ca 0.45 1.45 0.17 0.00 -0.71 0.00 0.00 52.86 54.22 2rel s ASN 30 Cb -0.02 1.39 -0.12 0.00 0.41 0.00 0.00 41.25 42.92 2rel s ASN 30 CO 0.32 -0.23 0.89 -0.09 -1.51 0.00 0.00 177.10 176.47 2rel h ARG 31 N 7.09 0.00 0.00 -0.60 9.65 -1.90 -3.50 114.38 125.12 2rel h ARG 31 Ca -0.30 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2rel h ARG 31 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2rel h ARG 31 CO 0.17 0.30 0.00 0.00 2.80 0.00 0.00 179.97 183.24 2rel n LEU 33 N 0.00 0.00 0.01 0.00 4.32 -1.26 -4.59 117.00 115.48 2rel n LEU 33 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 2rel n LEU 33 Cb 0.00 0.08 -0.00 0.00 -1.62 0.00 0.00 43.42 41.88 2rel n LEU 33 CO 0.00 -0.08 -0.06 2.29 -1.22 0.00 0.00 177.39 178.32 2rel n LYS 34 N -1.62 0.04 -2.89 3.23 2.85 -1.26 -4.86 118.16 113.66 2rel n LYS 34 Ca 0.00 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.25 2rel n LYS 34 Cb 0.00 -0.35 0.00 0.00 -0.65 0.00 0.00 35.03 34.04 2rel n LYS 34 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2rel s ASP 35 N -5.29 -1.45 0.00 -5.58 -1.08 -1.26 -4.75 116.67 97.27 2rel s ASP 35 Ca -0.02 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 50.56 2rel s ASP 35 Cb 0.00 1.89 0.00 0.00 -1.46 0.00 0.00 42.92 43.36 2rel s ASP 35 CO 0.04 -0.08 0.00 0.41 0.52 0.00 0.00 175.17 176.05 2rel n THR 36 N 3.36 0.00 0.00 1.71 -1.04 -1.26 -5.10 114.28 111.95 2rel n THR 36 Ca 0.16 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2rel n THR 36 Cb 0.56 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 2rel n THR 36 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2rel n ASP 37 N -1.67 0.00 -3.29 8.00 9.92 -1.26 -5.02 116.55 123.22 2rel n ASP 37 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2rel n ASP 37 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2rel s PRO 39 N -1.46 0.04 0.44 0.00 0.04 -1.26 -4.37 135.00 128.43 2rel s PRO 39 Ca 0.12 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2rel s PRO 39 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2rel s PRO 39 CO 0.28 -2.83 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2rel n GLY 40 N -3.00 -1.53 0.42 0.56 0.00 -1.26 -2.67 105.19 97.71 2rel n GLY 40 Ca 0.15 -0.97 0.22 0.00 0.00 0.00 0.00 46.02 45.42 2rel n GLY 40 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2rel h ILE 41 N -1.04 0.22 -2.74 -0.61 3.07 -1.97 -3.41 117.51 111.03 2rel h ILE 41 Ca 0.02 0.00 -0.59 0.00 1.55 0.00 0.00 64.86 65.84 2rel h ILE 41 Cb 1.02 0.44 0.10 0.00 -0.27 0.00 0.00 36.82 38.12 2rel h ILE 41 CO 0.01 0.00 0.39 1.17 -1.05 0.00 0.00 178.15 178.67 2rel n LYS 42 N -3.47 1.76 -1.26 0.16 4.81 -1.09 -1.33 118.16 117.73 2rel n LYS 42 Ca 0.11 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2rel n LYS 42 Cb 0.88 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2rel n LYS 42 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2rel n LYS 43 N 1.10 0.00 -3.15 1.64 3.00 0.11 -4.16 118.16 116.70 2rel n LYS 43 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.01 2rel n LYS 43 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.30 2rel n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rel s GLU 46 N -0.91 2.61 0.20 0.00 2.02 -1.26 -3.00 118.70 118.36 2rel s GLU 46 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.49 2rel s GLU 46 Cb 0.00 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.98 2rel s GLU 46 CO 0.00 -0.85 0.73 0.20 0.02 0.00 0.00 175.26 175.36 2rel s GLY 47 N -4.39 -0.32 0.32 -1.39 0.00 -1.17 -4.66 107.32 95.70 2rel s GLY 47 Ca 0.56 0.13 0.07 0.00 0.00 0.00 0.00 44.72 45.49 2rel s GLY 47 CO 0.43 0.04 1.62 1.48 0.00 0.00 0.00 173.10 176.68 2rel h SER 48 N 2.00 0.03 -3.32 1.64 4.64 -1.91 -3.36 113.55 113.26 2rel h SER 48 Ca -0.25 0.23 -0.67 0.00 -0.47 0.00 0.00 61.79 60.63 2rel h SER 48 Cb 1.27 0.30 -0.30 0.00 -0.31 0.00 0.00 62.40 63.35 2rel h SER 48 CO 0.29 -0.25 -0.82 0.00 -0.87 0.00 0.00 176.83 175.19 2rel n GLY 50 N 3.58 1.97 3.52 0.00 0.00 -1.26 -4.69 105.19 108.31 2rel n GLY 50 Ca -0.19 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 2rel n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rel s MET 51 N 0.00 1.87 0.06 1.61 1.00 -1.26 -3.05 119.30 119.53 2rel s MET 51 Ca 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 55.69 53.96 2rel s MET 51 Cb 0.00 0.46 0.03 0.00 0.00 0.00 0.00 34.83 35.32 2rel s MET 51 CO 0.00 -0.78 0.38 0.00 0.00 0.00 0.00 175.02 174.62 2rel n ALA 52 N -0.53 -1.00 -2.80 3.03 0.00 -1.16 -3.12 120.51 114.94 2rel n ALA 52 Ca -0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 2rel n ALA 52 Cb 0.62 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.24 2rel n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rel n PHE 54 N 7.81 0.00 -1.48 0.00 3.01 0.19 -4.73 117.46 122.26 2rel n PHE 54 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2rel n PHE 54 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2rel n PHE 54 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2rel n VAL 55 N 0.00 0.00 -0.90 -4.37 0.31 -1.26 -2.78 118.33 109.34 2rel n VAL 55 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2rel n VAL 55 Cb 0.00 -1.67 0.11 0.00 -0.91 0.00 0.00 33.84 31.37 2rel n VAL 55 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2rel n PRO 56 N -0.82 -1.63 0.00 5.55 -0.04 -0.44 -0.71 135.00 136.90 2rel n PRO 56 Ca 0.00 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2rel n PRO 56 Cb 0.00 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2rel n PRO 56 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40