#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyt s PRO 2 N 0.00 2.68 -0.42 5.55 0.04 -1.26 -4.72 135.00 136.87 2jyt s PRO 2 Ca 0.00 0.35 0.06 0.00 0.04 0.00 0.00 61.00 61.45 2jyt s PRO 2 Cb 0.00 -4.50 0.32 0.00 0.04 0.00 0.00 34.50 30.36 2jyt s PRO 2 CO 0.00 -2.78 1.20 0.00 0.04 0.00 0.00 177.00 175.46 2jyt n ASP 4 N 0.23 -7.38 0.00 0.00 9.92 -1.26 -4.44 116.55 113.61 2jyt n ASP 4 Ca 0.01 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 55.10 2jyt n ASP 4 Cb 0.73 -2.33 0.00 0.00 -0.64 0.00 0.00 41.12 38.88 2jyt n ASP 4 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jyt n ASN 5 N -3.66 1.49 0.06 -2.24 3.02 -1.26 -4.61 115.26 108.07 2jyt n ASN 5 Ca 0.01 -1.55 0.12 0.00 -0.03 0.00 0.00 54.58 53.12 2jyt n ASN 5 Cb 0.35 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2jyt n ASN 5 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2jyt n VAL 6 N -0.27 0.38 -4.42 2.41 0.24 -1.26 -4.95 118.33 110.45 2jyt n VAL 6 Ca 0.00 -0.37 -0.21 0.00 -2.04 0.00 0.00 64.34 61.72 2jyt n VAL 6 Cb 0.16 -0.10 -0.09 0.00 -1.47 0.00 0.00 33.84 32.34 2jyt n VAL 6 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jyt s SER 7 N -4.53 2.10 -0.05 -1.34 0.15 -1.26 -4.94 113.70 103.83 2jyt s SER 7 Ca 0.03 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.14 2jyt s SER 7 Cb 0.12 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2jyt s SER 7 CO 0.77 -0.79 0.08 -0.94 1.20 0.00 0.00 173.24 173.56 2jyt s SER 8 N -3.47 0.96 -0.02 5.45 1.04 -1.26 -4.90 113.70 111.50 2jyt s SER 8 Ca 0.33 0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.93 2jyt s SER 8 Cb 0.06 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2jyt s SER 8 CO 0.15 -0.24 -0.17 0.00 0.98 0.00 0.00 173.24 173.97 2jyt s PRO 10 N -0.30 4.15 1.84 0.00 0.04 -1.26 -4.91 135.00 134.57 2jyt s PRO 10 Ca 0.04 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2jyt s PRO 10 Cb -0.07 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2jyt s PRO 10 CO -0.00 0.50 0.00 0.43 0.04 0.00 0.00 177.00 177.97 2jyt n SER 11 N 1.07 -4.36 -4.58 6.66 7.64 -1.26 -4.36 113.62 114.42 2jyt n SER 11 Ca -0.06 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.42 2jyt n SER 11 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2jyt n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jyt s SER 12 N -4.00 5.57 0.18 6.43 0.15 -1.26 -4.96 113.70 115.80 2jyt s SER 12 Ca 0.00 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.64 2jyt s SER 12 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2jyt s SER 12 CO 0.00 -2.04 -0.17 -0.62 1.20 0.00 0.00 173.24 171.61 2jyt s ASP 13 N 7.20 2.65 -0.06 5.45 -1.08 -1.26 -4.68 116.67 124.90 2jyt s ASP 13 Ca 0.76 -0.91 -0.06 0.00 -0.52 0.00 0.00 52.55 51.81 2jyt s ASP 13 Cb -0.18 -0.15 -0.04 0.00 -1.46 0.00 0.00 42.92 41.08 2jyt s ASP 13 CO 0.28 -0.08 0.19 0.28 0.52 0.00 0.00 175.17 176.37 2jyt s THR 14 N -2.33 5.42 -0.72 1.71 -1.32 -1.25 -4.98 115.64 112.17 2jyt s THR 14 Ca 0.18 0.14 -0.24 0.00 -1.21 0.00 0.00 61.69 60.56 2jyt s THR 14 Cb -0.04 -3.49 0.06 0.00 -1.51 0.00 0.00 72.50 67.52 2jyt s THR 14 CO 0.07 0.49 1.11 0.00 -2.21 0.00 0.00 174.62 174.08 2jyt s GLN 17 N 1.81 3.65 0.00 0.00 0.74 -1.26 -0.69 119.66 123.91 2jyt s GLN 17 Ca 0.07 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.47 2jyt s GLN 17 Cb -0.18 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2jyt s GLN 17 CO 0.11 0.52 0.00 1.28 -0.55 0.00 0.00 175.29 176.65 2jyt n LEU 18 N 0.47 0.00 -2.20 3.68 4.77 -1.06 -4.81 117.00 117.85 2jyt n LEU 18 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 2jyt n LEU 18 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 2jyt n LEU 18 CO 0.46 0.00 1.84 0.35 -1.33 0.00 0.00 177.39 178.71 2jyt n THR 19 N 0.00 3.20 -1.83 -5.08 -2.24 -1.26 -4.82 114.28 102.25 2jyt n THR 19 Ca 0.00 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 2jyt n THR 19 Cb 0.00 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 2jyt n THR 19 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jyt n SER 20 N 2.52 -7.75 0.00 3.42 7.64 -1.26 -4.92 113.62 113.26 2jyt n SER 20 Ca 0.48 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.54 2jyt n SER 20 Cb 0.81 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2jyt n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyt n GLY 21 N 1.55 3.21 3.56 0.23 0.00 -1.26 -5.10 105.19 107.39 2jyt n GLY 21 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 2jyt n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyt s GLU 22 N 0.00 2.44 -0.11 1.61 0.41 -1.26 -5.07 118.70 116.72 2jyt s GLU 22 Ca 0.00 -0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 53.78 2jyt s GLU 22 Cb 0.00 -2.43 -0.02 0.00 -1.78 0.00 0.00 34.13 29.90 2jyt s GLU 22 CO 0.00 0.59 -0.10 -1.58 -0.49 0.00 0.00 175.26 173.68 2jyt s TRP 23 N -0.98 2.87 0.28 1.61 0.52 -1.26 -2.56 118.94 119.42 2jyt s TRP 23 Ca 0.17 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.01 2jyt s TRP 23 Cb -0.11 -1.81 -0.06 0.00 -1.15 0.00 0.00 33.47 30.35 2jyt s TRP 23 CO 0.07 0.02 -0.04 0.20 0.02 0.00 0.00 176.95 177.22 2jyt s GLY 24 N -0.08 1.81 -0.22 0.98 0.00 0.13 -4.51 107.32 105.43 2jyt s GLY 24 Ca -0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 42.76 2jyt s GLY 24 CO 0.03 -1.81 0.04 0.00 0.00 0.00 0.00 173.10 171.36 2jyt n PRO 27 N 2.06 1.50 -2.26 0.00 -0.02 -1.26 -3.82 135.00 131.21 2jyt n PRO 27 Ca -0.11 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2jyt n PRO 27 Cb 0.51 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2jyt n PRO 27 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2jyt s ILE 28 N 6.67 3.80 -0.55 4.25 1.10 -1.26 -4.92 121.20 130.28 2jyt s ILE 28 Ca 1.04 1.17 -0.02 0.00 -0.51 0.00 0.00 60.65 62.33 2jyt s ILE 28 Cb -0.72 -3.75 0.37 0.00 0.15 0.00 0.00 42.46 38.51 2jyt s ILE 28 CO 0.47 -0.01 2.03 -0.81 -2.11 0.00 0.00 174.94 174.52 2jyt n PRO 29 N 5.41 2.39 -3.07 3.50 -0.04 -1.26 -4.90 135.00 137.03 2jyt n PRO 29 Ca 0.13 -2.71 -0.15 0.00 -0.04 0.00 0.00 63.50 60.73 2jyt n PRO 29 Cb 0.44 -2.06 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 2jyt n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jyt n GLU 30 N -0.50 -2.10 -2.72 0.54 1.02 -1.26 -4.86 120.64 110.76 2jyt n GLU 30 Ca 0.52 1.82 -0.42 0.00 -0.02 0.00 0.00 57.16 59.06 2jyt n GLU 30 Cb 0.64 -4.72 -0.03 0.00 -0.02 0.00 0.00 31.44 27.31 2jyt n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jyt s ALA 31 N -2.43 2.99 0.50 0.62 0.00 -1.26 -4.95 121.76 117.23 2jyt s ALA 31 Ca 0.24 -2.33 0.01 0.00 0.00 0.00 0.00 51.96 49.87 2jyt s ALA 31 Cb -0.05 -4.27 0.07 0.00 0.00 0.00 0.00 23.12 18.86 2jyt s ALA 31 CO 0.80 -3.29 0.47 0.28 0.00 0.00 0.00 175.76 174.02 2jyt n VAL 32 N 6.26 0.00 -4.25 0.00 0.31 -1.26 -5.10 118.33 114.28 2jyt n VAL 32 Ca 0.24 -0.81 -0.20 0.00 -0.01 0.00 0.00 64.34 63.56 2jyt n VAL 32 Cb 0.50 -1.07 -0.12 0.00 -0.91 0.00 0.00 33.84 32.24 2jyt n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jyt h SER 35 N 0.81 -0.80 -4.19 0.00 0.02 -1.87 -3.41 113.55 104.11 2jyt h SER 35 Ca -0.14 0.10 -0.49 0.00 -0.84 0.00 0.00 61.79 60.42 2jyt h SER 35 Cb 0.56 0.32 0.05 0.00 0.14 0.00 0.00 62.40 63.47 2jyt h SER 35 CO 0.21 -0.20 0.38 -1.81 -1.14 0.00 0.00 176.83 174.27 2jyt s ASP 36 N -3.66 5.96 -0.16 3.07 1.01 -1.26 -4.95 116.67 116.67 2jyt s ASP 36 Ca -0.07 1.79 0.12 0.00 0.71 0.00 0.00 52.55 55.10 2jyt s ASP 36 Cb 0.03 -2.53 0.63 0.00 1.01 0.00 0.00 42.92 42.07 2jyt s ASP 36 CO 0.27 -1.05 1.48 1.57 0.21 0.00 0.00 175.17 177.66 2jyt n HIS 37 N -1.87 1.54 -0.01 4.23 -0.00 -1.26 -3.87 115.22 113.98 2jyt n HIS 37 Ca 0.08 -0.55 0.02 0.00 0.46 0.00 0.00 57.72 57.73 2jyt n HIS 37 Cb 0.53 -0.37 0.04 0.00 -0.12 0.00 0.00 29.99 30.06 2jyt n HIS 37 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2jyt n GLN 38 N 0.59 2.17 -2.50 1.57 6.02 -1.26 -5.05 117.38 118.93 2jyt n GLN 38 Ca 0.22 -1.43 -0.05 0.00 -0.01 0.00 0.00 57.00 55.72 2jyt n GLN 38 Cb 0.93 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 31.11 2jyt n GLN 38 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2jyt n HIS 39 N -0.13 -0.61 -3.64 1.08 -0.00 -1.25 -5.18 115.22 105.49 2jyt n HIS 39 Ca 0.03 -0.84 -0.08 0.00 0.46 0.00 0.00 57.72 57.29 2jyt n HIS 39 Cb 0.25 0.16 -0.07 0.00 -0.12 0.00 0.00 29.99 30.21 2jyt n HIS 39 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jyt n PRO 42 N 0.23 0.51 -1.68 0.00 -0.04 -1.26 -4.18 135.00 128.58 2jyt n PRO 42 Ca -0.14 0.19 -0.53 0.00 -0.04 0.00 0.00 63.50 62.99 2jyt n PRO 42 Cb 0.59 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2jyt n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jyt n GLN 43 N 0.59 1.56 0.00 0.54 10.64 -1.26 -0.76 117.38 128.69 2jyt n GLN 43 Ca 0.11 0.57 0.00 0.00 -1.83 0.00 0.00 57.00 55.85 2jyt n GLN 43 Cb 0.41 -2.30 0.00 0.00 -0.86 0.00 0.00 30.24 27.49 2jyt n GLN 43 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jyt n GLY 44 N 3.89 0.62 3.85 2.61 0.00 -1.26 -5.07 105.19 109.82 2jyt n GLY 44 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2jyt n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jyt s TYR 45 N -2.08 1.97 0.08 1.61 2.02 0.06 -4.76 117.35 116.25 2jyt s TYR 45 Ca 0.00 -0.77 -0.01 0.00 -0.37 0.00 0.00 57.07 55.92 2jyt s TYR 45 Cb 0.00 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2jyt s TYR 45 CO 0.00 -0.20 0.01 -0.08 -1.57 0.00 0.00 175.55 173.71 2jyt s THR 46 N -2.72 0.18 -0.49 -0.71 -1.32 0.03 -4.75 115.64 105.86 2jyt s THR 46 Ca 0.33 -1.83 -0.21 0.00 -1.21 0.00 0.00 61.69 58.76 2jyt s THR 46 Cb -0.00 -1.71 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 2jyt s THR 46 CO 0.19 -0.80 0.73 0.00 -2.21 0.00 0.00 174.62 172.54 2jyt s VAL 48 N 3.12 3.77 -0.53 0.00 -7.23 -0.91 -4.47 120.40 114.14 2jyt s VAL 48 Ca 0.23 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2jyt s VAL 48 Cb -0.15 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.22 2jyt s VAL 48 CO 0.18 0.54 0.00 0.00 -0.31 0.00 0.00 175.10 175.51 2jyt n ALA 49 N 2.03 -0.08 -3.65 1.32 0.00 -1.26 -2.73 120.51 116.13 2jyt n ALA 49 Ca -0.17 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2jyt n ALA 49 Cb 0.53 -1.59 0.04 0.00 0.00 0.00 0.00 19.45 18.43 2jyt n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jyt n GLU 50 N 0.15 -2.98 0.18 0.00 1.02 -1.26 -4.78 120.64 112.97 2jyt n GLU 50 Ca -0.05 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2jyt n GLU 50 Cb 0.53 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.14 2jyt n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jyt n GLY 51 N -1.61 -1.76 3.94 0.62 0.00 -1.11 -5.16 105.19 100.12 2jyt n GLY 51 Ca -0.19 0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 2jyt n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jyt s GLN 52 N -1.91 2.34 -0.10 1.61 0.74 -1.21 -4.99 119.66 116.15 2jyt s GLN 52 Ca 0.00 -1.79 0.01 0.00 0.05 0.00 0.00 55.36 53.64 2jyt s GLN 52 Cb 0.00 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.75 2jyt s GLN 52 CO 0.00 -0.59 -0.14 0.00 -0.55 0.00 0.00 175.29 174.01 2jyt n GLN 54 N 3.08 1.23 0.00 0.00 7.27 0.04 -4.87 117.38 124.14 2jyt n GLN 54 Ca -0.18 -2.04 0.09 0.00 0.07 0.00 0.00 57.00 54.95 2jyt n GLN 54 Cb 0.53 0.46 0.08 0.00 2.41 0.00 0.00 30.24 33.71 2jyt n GLN 54 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30