#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjd s LEU 6 N 0.00 3.99 0.22 3.22 1.43 -1.26 -4.95 118.68 121.33 1jjd s LEU 6 Ca 0.00 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1jjd s LEU 6 Cb 0.00 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1jjd s LEU 6 CO 0.00 -0.26 -0.06 0.68 0.23 0.00 0.00 176.35 176.94 1jjd s VAL 7 N -2.17 3.27 1.45 -1.59 -7.23 0.13 -4.94 120.40 109.32 1jjd s VAL 7 Ca 0.46 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.59 1jjd s VAL 7 Cb -0.11 -2.68 0.37 0.00 0.56 0.00 0.00 36.38 34.53 1jjd s VAL 7 CO 0.30 -0.24 0.91 -0.54 -0.31 0.00 0.00 175.10 175.22 1jjd s LYS 8 N -3.23 -3.13 0.35 4.82 1.02 -1.26 -1.14 119.74 117.17 1jjd s LYS 8 Ca 0.28 0.15 0.07 0.00 0.02 0.00 0.00 55.97 56.49 1jjd s LYS 8 Cb -0.08 -1.35 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1jjd s LYS 8 CO 0.17 -5.01 0.39 0.00 -0.92 0.00 0.00 175.35 169.98 1jjd n ALA 10 N -1.53 2.47 -2.66 0.00 0.00 -0.64 -4.66 120.51 113.48 1jjd n ALA 10 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1jjd n ALA 10 Cb 0.59 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1jjd n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jjd h GLU 12 N 7.50 -0.73 0.00 0.00 5.08 -1.90 -1.64 114.58 122.89 1jjd h GLU 12 Ca -0.38 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1jjd h GLU 12 Cb 1.17 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jjd h GLU 12 CO 0.66 -0.49 0.00 -0.35 -1.00 0.00 0.00 179.01 177.83 1jjd n PRO 13 N -5.48 0.59 -2.44 2.33 -0.04 -1.26 -4.74 135.00 123.96 1jjd n PRO 13 Ca -0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1jjd n PRO 13 Cb 0.38 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1jjd n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jjd n LEU 15 N 5.64 2.05 -4.80 0.00 4.32 -1.26 -4.70 117.00 118.25 1jjd n LEU 15 Ca 0.12 -1.00 -0.35 0.00 -0.02 0.00 0.00 56.01 54.75 1jjd n LEU 15 Cb 0.46 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.95 1jjd n LEU 15 CO 0.56 0.50 0.63 0.00 -1.22 0.00 0.00 177.39 177.86 1jjd s ASN 17 N -1.85 5.11 0.48 0.00 0.01 -1.26 -3.60 114.94 113.83 1jjd s ASN 17 Ca 0.54 -1.56 0.05 0.00 -0.71 0.00 0.00 52.86 51.19 1jjd s ASN 17 Cb -0.15 -1.79 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 1jjd s ASN 17 CO 0.19 -0.39 0.24 0.68 -1.51 0.00 0.00 177.10 176.31 1jjd s VAL 18 N 1.23 1.85 0.18 1.60 -7.23 -0.29 -4.84 120.40 112.91 1jjd s VAL 18 Ca 0.01 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.60 1jjd s VAL 18 Cb -0.21 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1jjd s VAL 18 CO -0.02 0.00 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.11 1jjd s ASP 19 N -4.05 4.52 0.00 4.85 2.15 -1.26 -0.69 116.67 122.18 1jjd s ASP 19 Ca 0.32 -0.50 0.29 0.00 0.43 0.00 0.00 52.55 53.09 1jjd s ASP 19 Cb 0.01 -0.87 1.17 0.00 -0.30 0.00 0.00 42.92 42.93 1jjd s ASP 19 CO 0.18 0.09 1.81 -0.81 -0.17 0.00 0.00 175.17 176.28 1jjd n PRO 20 N -0.09 1.51 0.07 4.34 -0.04 -1.26 -1.92 135.00 137.60 1jjd n PRO 20 Ca -0.10 -0.78 0.04 0.00 -0.04 0.00 0.00 63.50 62.62 1jjd n PRO 20 Cb 0.55 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1jjd n PRO 20 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jjd h SER 21 N 1.91 0.00 0.00 3.54 0.87 -2.01 -3.40 113.55 114.46 1jjd h SER 21 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1jjd h SER 21 Cb 0.42 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1jjd h SER 21 CO 0.00 0.36 -1.54 1.17 -0.53 0.00 0.00 176.83 176.29 1jjd n LYS 22 N -2.85 1.85 -1.48 2.24 3.00 -1.22 -5.06 118.16 114.63 1jjd n LYS 22 Ca -0.05 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 57.93 1jjd n LYS 22 Cb 0.72 -1.22 0.20 0.00 0.00 0.00 0.00 35.03 34.73 1jjd n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jjd s ALA 23 N -2.35 1.42 -1.19 3.14 0.00 -0.81 -4.89 121.76 117.08 1jjd s ALA 23 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1jjd s ALA 23 Cb 0.04 -2.88 0.16 0.00 0.00 0.00 0.00 23.12 20.44 1jjd s ALA 23 CO 0.36 -2.92 1.43 0.42 0.00 0.00 0.00 175.76 175.06 1jjd s ILE 24 N -3.38 4.96 -0.17 0.00 1.01 -0.79 -4.89 121.20 117.95 1jjd s ILE 24 Ca 0.71 -2.52 -0.20 0.00 0.00 0.00 0.00 60.65 58.63 1jjd s ILE 24 Cb -0.09 -4.92 -0.03 0.00 0.01 0.00 0.00 42.46 37.43 1jjd s ILE 24 CO 0.54 -1.64 0.60 1.51 0.00 0.00 0.00 174.94 175.96 1jjd s ASP 25 N 2.97 6.71 -0.12 3.58 -4.77 -1.26 -2.61 116.67 121.16 1jjd s ASP 25 Ca 0.43 0.85 -0.07 0.00 -3.30 0.00 0.00 52.55 50.45 1jjd s ASP 25 Cb -0.03 -2.34 -0.02 0.00 -1.09 0.00 0.00 42.92 39.44 1jjd s ASP 25 CO -0.00 -0.20 -0.14 0.03 0.70 0.00 0.00 175.17 175.56 1jjd h ARG 26 N 7.27 0.00 -1.26 2.11 3.08 -1.87 -3.46 114.38 120.25 1jjd h ARG 26 Ca -0.34 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.32 1jjd h ARG 26 Cb 1.16 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.89 1jjd h ARG 26 CO 0.76 0.00 -0.94 -1.71 -1.07 0.00 0.00 179.97 177.01 1jjd n ASN 27 N -4.28 -0.19 0.00 7.04 2.85 -1.26 -4.88 115.26 114.54 1jjd n ASN 27 Ca -0.06 -3.19 0.00 0.00 -0.11 0.00 0.00 54.58 51.22 1jjd n ASN 27 Cb 0.22 0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1jjd n ASN 27 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jjd n GLY 28 N 0.26 1.40 3.33 8.20 0.00 -1.26 -5.05 105.19 112.07 1jjd n GLY 28 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1jjd n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jjd s LEU 29 N 0.00 2.81 -0.13 0.99 2.96 -1.26 -5.11 118.68 118.93 1jjd s LEU 29 Ca 0.00 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.36 1jjd s LEU 29 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1jjd s LEU 29 CO 0.00 0.06 0.49 -0.31 -1.32 0.00 0.00 176.35 175.27 1jjd s TYR 30 N 0.99 3.49 -0.12 5.38 2.02 -1.26 -2.53 117.35 125.31 1jjd s TYR 30 Ca -0.01 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1jjd s TYR 30 Cb -0.15 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.82 1jjd s TYR 30 CO -0.01 0.12 -0.12 0.71 -1.57 0.00 0.00 175.55 174.68 1jjd s TYR 31 N 0.82 2.82 0.00 2.71 2.02 -1.07 -1.62 117.35 123.02 1jjd s TYR 31 Ca 0.26 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1jjd s TYR 31 Cb -0.15 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1jjd s TYR 31 CO 0.10 -0.12 0.91 0.00 -1.57 0.00 0.00 175.55 174.87 1jjd s SER 33 N -2.06 5.22 0.36 0.00 0.15 -1.26 -4.48 113.70 111.62 1jjd s SER 33 Ca 0.00 -0.74 0.08 0.00 0.70 0.00 0.00 55.95 56.00 1jjd s SER 33 Cb 0.00 -0.17 0.81 0.00 -1.71 0.00 0.00 66.02 64.95 1jjd s SER 33 CO 0.00 -0.99 1.90 -0.33 1.20 0.00 0.00 173.24 175.02 1jjd h GLU 34 N 0.56 0.68 -0.90 5.44 5.08 -1.92 -2.93 114.58 120.59 1jjd h GLU 34 Ca -0.36 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1jjd h GLU 34 Cb 1.28 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 1jjd h GLU 34 CO 0.47 0.45 0.60 0.00 -1.00 0.00 0.00 179.01 179.53 1jjd h ALA 35 N 1.60 1.38 0.00 3.43 0.00 -1.91 0.42 119.26 124.19 1jjd h ALA 35 Ca 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1jjd h ALA 35 Cb 0.60 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jjd h ALA 35 CO -0.17 0.56 -0.23 0.00 0.00 0.00 0.00 179.25 179.41 1jjd h ALA 37 N 1.77 0.20 0.00 0.00 0.00 -0.57 -3.05 119.26 117.61 1jjd h ALA 37 Ca -0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 54.91 53.94 1jjd h ALA 37 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1jjd h ALA 37 CO 0.03 0.94 -0.62 -0.44 0.00 0.00 0.00 179.25 179.17 1jjd h ASP 38 N 0.11 0.00 -0.61 0.00 3.32 -0.22 -3.48 116.42 115.54 1jjd h ASP 38 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1jjd h ASP 38 Cb 1.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.39 1jjd h ASP 38 CO 0.19 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 1jjd n GLY 39 N 0.52 0.96 4.02 2.75 0.00 0.38 -4.37 105.19 109.44 1jjd n GLY 39 Ca -0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1jjd n GLY 39 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jjd n HIS 40 N -1.90 -1.61 -1.76 1.61 8.25 0.23 -3.86 115.22 116.19 1jjd n HIS 40 Ca 0.00 0.73 -0.38 0.00 -0.26 0.00 0.00 57.72 57.82 1jjd n HIS 40 Cb 0.35 -3.56 0.05 0.00 1.12 0.00 0.00 29.99 27.95 1jjd n HIS 40 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jjd s THR 41 N -3.96 2.03 0.00 1.59 -4.23 -1.26 -4.22 115.64 105.59 1jjd s THR 41 Ca 0.07 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1jjd s THR 41 Cb -0.04 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1jjd s THR 41 CO 0.91 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.59 1jjd n GLY 42 N 0.80 0.24 0.76 3.99 0.00 -1.26 -4.78 105.19 104.93 1jjd n GLY 42 Ca 0.13 0.70 -0.06 0.00 0.00 0.00 0.00 46.02 46.78 1jjd n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jjd n GLY 43 N 0.00 -2.05 0.00 -0.02 0.00 -1.26 -5.06 105.19 96.80 1jjd n GLY 43 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1jjd n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jjd n SER 44 N -3.32 0.00 -4.93 1.61 7.64 -1.26 -4.94 113.62 108.43 1jjd n SER 44 Ca 0.03 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 1jjd n SER 44 Cb 0.12 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1jjd n SER 44 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1jjd s LYS 45 N -0.06 3.41 0.22 1.43 -0.14 -1.26 -4.79 119.74 118.55 1jjd s LYS 45 Ca 0.00 -0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 1jjd s LYS 45 Cb 0.00 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 1jjd s LYS 45 CO 0.00 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 174.89 1jjd n GLY 46 N -2.07 -1.20 0.95 -3.33 0.00 -0.41 -4.87 105.19 94.25 1jjd n GLY 46 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 1jjd n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjd n GLY 48 N -1.11 2.61 2.80 0.00 0.00 -1.26 -4.63 105.19 103.59 1jjd n GLY 48 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1jjd n GLY 48 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jjd n HIS 49 N -1.95 -0.36 -2.60 1.61 -0.00 -1.26 -5.07 115.22 105.60 1jjd n HIS 49 Ca 0.00 -1.77 -0.41 0.00 -0.00 0.00 0.00 57.72 55.54 1jjd n HIS 49 Cb 0.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.99 29.64 1jjd n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1jjd s THR 50 N -2.12 4.16 -1.44 0.61 -1.32 -1.26 -4.20 115.64 110.07 1jjd s THR 50 Ca 0.17 1.79 0.00 0.00 -1.21 0.00 0.00 61.69 62.44 1jjd s THR 50 Cb -0.01 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 1jjd s THR 50 CO 0.11 0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 1jjd n GLY 51 N 2.25 1.29 3.52 6.08 0.00 -1.26 -4.94 105.19 112.13 1jjd n GLY 51 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1jjd n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjd n ASN 53 N 6.55 6.54 -4.72 0.00 2.85 -1.26 -3.56 115.26 121.66 1jjd n ASN 53 Ca 0.00 -3.22 -0.42 0.00 -0.11 0.00 0.00 54.58 50.83 1jjd n ASN 53 Cb 0.48 -1.19 -0.04 0.00 1.24 0.00 0.00 39.78 40.27 1jjd n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jjd n HIS 55 N 3.52 -3.33 -0.21 0.00 -0.00 -1.26 -1.29 115.22 112.65 1jjd n HIS 55 Ca 0.04 -0.37 0.00 0.00 -0.00 0.00 0.00 57.72 57.39 1jjd n HIS 55 Cb 0.50 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1jjd n HIS 55 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75