#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jua n THR 48 N 0.00 2.34 0.00 6.31 -2.24 -1.26 -4.43 114.28 114.99 3jua n THR 48 Ca 0.00 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 3jua n THR 48 Cb 0.00 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 3jua n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3jua n ASP 49 N 3.65 0.00 0.09 3.42 2.03 -1.26 -0.58 116.55 123.90 3jua n ASP 49 Ca 0.40 0.09 0.04 0.00 0.52 0.00 0.00 54.79 55.84 3jua n ASP 49 Cb 0.28 -0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.58 3jua n ASP 49 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 3jua h LEU 50 N 0.00 0.00 -0.33 -2.67 -0.00 -2.02 -3.31 115.31 106.99 3jua h LEU 50 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 3jua h LEU 50 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3jua h LEU 50 CO 0.00 0.40 0.11 -0.33 -0.00 0.00 0.00 178.44 178.62 3jua h GLU 51 N 0.00 0.50 0.00 0.17 4.39 -1.23 -2.26 114.58 116.15 3jua h GLU 51 Ca -0.07 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3jua h GLU 51 Cb 1.37 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3jua h GLU 51 CO 0.04 0.53 0.00 0.00 -1.16 0.00 0.00 179.01 178.42 3jua h ALA 52 N 0.95 1.00 0.01 3.43 0.00 -1.70 0.14 119.26 123.09 3jua h ALA 52 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3jua h ALA 52 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3jua h ALA 52 CO -0.00 0.00 -0.92 -0.07 0.00 0.00 0.00 179.25 178.26 3jua h LEU 53 N 0.00 0.18 0.00 0.00 3.38 -1.50 -3.10 115.31 114.27 3jua h LEU 53 Ca 0.00 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.58 3jua h LEU 53 Cb 0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3jua h LEU 53 CO 0.00 1.00 -1.67 0.49 0.09 0.00 0.00 178.44 178.35 3jua n PHE 54 N -3.58 0.84 0.09 1.13 3.72 0.36 -4.04 117.46 115.97 3jua n PHE 54 Ca -0.03 0.29 -0.07 0.00 -0.05 0.00 0.00 57.45 57.59 3jua n PHE 54 Cb 0.84 -1.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.28 3jua n PHE 54 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3jua h ASN 55 N 0.00 0.17 -0.80 4.37 -0.26 -1.36 0.14 115.58 117.84 3jua h ASN 55 Ca -0.25 -0.14 0.09 0.00 -0.56 0.00 0.00 56.30 55.44 3jua h ASN 55 Cb 1.82 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 38.97 3jua h ASN 55 CO 0.06 0.96 0.52 0.00 -1.06 0.00 0.00 177.43 177.91 3jua h ALA 56 N 1.03 1.74 0.00 -0.83 0.00 -1.67 0.04 119.26 119.57 3jua h ALA 56 Ca -0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 3jua h ALA 56 Cb 1.51 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3jua h ALA 56 CO 0.13 0.09 -2.39 0.28 0.00 0.00 0.00 179.25 177.36 3jua n VAL 57 N -4.51 1.39 1.00 0.00 0.31 -1.22 -4.55 118.33 110.76 3jua n VAL 57 Ca 0.13 -0.65 0.11 0.00 -0.01 0.00 0.00 64.34 63.92 3jua n VAL 57 Cb 0.32 -1.05 0.06 0.00 -0.91 0.00 0.00 33.84 32.26 3jua n VAL 57 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3jua n MET 58 N -3.04 0.01 -0.05 5.55 0.00 0.49 -4.63 117.12 115.45 3jua n MET 58 Ca -0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.27 3jua n MET 58 Cb 1.03 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.66 3jua n MET 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3jua n ASN 59 N -1.49 2.11 -0.01 6.12 5.03 -0.01 -4.96 115.26 122.04 3jua n ASN 59 Ca 0.05 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.50 3jua n ASN 59 Cb 0.33 0.95 -0.03 0.00 -1.02 0.00 0.00 39.78 40.01 3jua n ASN 59 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3jua n PRO 60 N -2.33 1.97 -1.80 3.52 -0.04 -1.26 -4.50 135.00 130.56 3jua n PRO 60 Ca -0.16 -0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.26 3jua n PRO 60 Cb 0.77 -1.09 0.07 0.00 -0.04 0.00 0.00 33.50 33.21 3jua n PRO 60 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3jua n LYS 61 N -1.91 1.60 -0.09 0.54 3.00 -1.26 -4.02 118.16 116.03 3jua n LYS 61 Ca -0.03 -3.17 -0.10 0.00 -0.00 0.00 0.00 58.31 55.00 3jua n LYS 61 Cb 0.38 -1.29 -0.04 0.00 0.00 0.00 0.00 35.03 34.08 3jua n LYS 61 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3jua n THR 62 N -0.42 1.47 -2.24 3.15 -2.24 -1.26 -4.96 114.28 107.79 3jua n THR 62 Ca 0.17 0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.65 3jua n THR 62 Cb 0.91 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 66.82 3jua n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jua s ALA 63 N -2.74 3.49 -0.42 6.98 0.00 -1.26 -4.96 121.76 122.85 3jua s ALA 63 Ca -0.24 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 3jua s ALA 63 Cb 0.04 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3jua s ALA 63 CO 0.36 -0.49 0.41 0.54 0.00 0.00 0.00 175.76 176.58 3jua s ASN 64 N -0.28 6.18 0.19 0.00 4.22 -1.26 -4.76 114.94 119.22 3jua s ASN 64 Ca 0.51 -0.76 0.03 0.00 -2.14 0.00 0.00 52.86 50.49 3jua s ASN 64 Cb -0.37 -2.21 -0.05 0.00 1.28 0.00 0.00 41.25 39.90 3jua s ASN 64 CO 0.45 -0.57 -0.02 0.68 -2.04 0.00 0.00 177.10 175.60 3jua s VAL 65 N 2.03 0.91 0.55 3.54 -7.23 -1.26 -5.11 120.40 113.82 3jua s VAL 65 Ca 0.10 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 3jua s VAL 65 Cb -0.18 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 3jua s VAL 65 CO 0.12 -0.49 1.12 -2.16 -0.31 0.00 0.00 175.10 173.39 3jua s PRO 66 N -3.86 3.35 0.04 4.82 0.04 -1.26 -4.92 135.00 133.21 3jua s PRO 66 Ca 0.24 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3jua s PRO 66 Cb 0.05 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3jua s PRO 66 CO 0.05 -0.85 1.90 -1.14 0.04 0.00 0.00 177.00 177.00 3jua s GLN 67 N -3.34 4.15 -0.02 4.56 0.74 -1.26 -4.96 119.66 119.52 3jua s GLN 67 Ca 0.72 2.56 0.07 0.00 0.05 0.00 0.00 55.36 58.76 3jua s GLN 67 Cb -0.23 -4.03 -0.02 0.00 1.10 0.00 0.00 33.01 29.83 3jua s GLN 67 CO 0.27 -0.92 -0.24 -0.08 -0.55 0.00 0.00 175.29 173.78 3jua s THR 68 N 4.05 2.23 -0.40 -0.34 -1.32 -1.26 -5.10 115.64 113.50 3jua s THR 68 Ca 0.85 -1.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.15 3jua s THR 68 Cb -0.42 -1.79 0.03 0.00 -1.51 0.00 0.00 72.50 68.80 3jua s THR 68 CO 0.39 0.57 0.26 0.54 -2.21 0.00 0.00 174.62 174.17 3jua s VAL 69 N -0.64 4.88 1.04 5.08 0.11 -1.26 -5.08 120.40 124.54 3jua s VAL 69 Ca 0.10 -0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 58.21 3jua s VAL 69 Cb -0.10 -3.75 0.15 0.00 -1.53 0.00 0.00 36.38 31.16 3jua s VAL 69 CO -0.01 -0.30 0.69 -0.81 -3.33 0.00 0.00 175.10 171.35 3jua n PRO 70 N 5.07 -1.24 0.21 1.54 -0.04 -1.26 -4.92 135.00 134.36 3jua n PRO 70 Ca -0.11 -0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.13 3jua n PRO 70 Cb 0.46 -2.05 0.20 0.00 -0.04 0.00 0.00 33.50 32.07 3jua n PRO 70 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3jua h MET 71 N -2.09 0.00 0.00 0.54 2.86 -1.98 -2.89 114.93 111.38 3jua h MET 71 Ca -0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 3jua h MET 71 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3jua h MET 71 CO 0.41 0.10 0.00 0.54 1.06 0.00 0.00 176.91 179.02 3jua n ARG 72 N -3.13 0.70 -0.32 1.72 1.74 -1.26 -2.55 116.66 113.55 3jua n ARG 72 Ca 0.03 0.01 0.08 0.00 -0.77 0.00 0.00 57.85 57.20 3jua n ARG 72 Cb 0.55 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.70 3jua n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3jua n LEU 73 N -1.03 3.37 -4.43 0.55 4.32 -1.09 -4.99 117.00 113.70 3jua n LEU 73 Ca 0.17 -2.91 -0.22 0.00 -0.02 0.00 0.00 56.01 53.03 3jua n LEU 73 Cb 0.09 -0.47 -0.10 0.00 -1.62 0.00 0.00 43.42 41.32 3jua n LEU 73 CO 0.14 0.68 -0.44 -0.13 -1.22 0.00 0.00 177.39 176.42 3jua s ARG 74 N -2.62 1.54 -1.05 3.23 0.52 -1.06 -5.04 118.95 114.48 3jua s ARG 74 Ca 0.37 -1.72 -0.22 0.00 -0.52 0.00 0.00 55.73 53.63 3jua s ARG 74 Cb 0.30 -1.42 0.05 0.00 0.52 0.00 0.00 34.95 34.39 3jua s ARG 74 CO 0.08 0.21 1.52 0.15 0.02 0.00 0.00 175.30 177.28 3jua s LYS 75 N -3.61 3.57 0.27 3.54 1.02 -1.26 -4.94 119.74 118.33 3jua s LYS 75 Ca 0.27 -1.19 0.12 0.00 0.02 0.00 0.00 55.97 55.19 3jua s LYS 75 Cb -0.01 -5.37 -0.05 0.00 -0.52 0.00 0.00 37.83 31.88 3jua s LYS 75 CO 0.12 -2.30 -0.21 -0.51 -0.92 0.00 0.00 175.35 171.53 3jua s LEU 76 N 5.24 2.57 1.24 3.17 1.43 -1.26 -5.12 118.68 125.94 3jua s LEU 76 Ca 0.49 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3jua s LEU 76 Cb 0.00 -1.11 0.28 0.00 0.03 0.00 0.00 46.19 45.39 3jua s LEU 76 CO -0.07 0.05 0.74 -0.81 0.23 0.00 0.00 176.35 176.50 3jua n PRO 77 N -0.48 -2.98 0.11 1.29 -0.04 -1.26 -4.91 135.00 126.74 3jua n PRO 77 Ca -0.06 -0.86 -0.18 0.00 -0.04 0.00 0.00 63.50 62.36 3jua n PRO 77 Cb 0.59 -1.97 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 3jua n PRO 77 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3jua h ASP 78 N -2.85 0.55 0.00 3.54 3.45 -2.01 -3.08 116.42 116.03 3jua h ASP 78 Ca -0.54 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 56.34 3jua h ASP 78 Cb 1.31 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3jua h ASP 78 CO 0.40 1.44 0.31 0.77 -1.57 0.00 0.00 179.24 180.59 3jua h SER 79 N 0.11 0.00 0.24 6.45 4.64 -1.91 -2.74 113.55 120.33 3jua h SER 79 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3jua h SER 79 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3jua h SER 79 CO 0.22 0.00 0.00 0.33 -0.87 0.00 0.00 176.83 176.51 3jua n PHE 80 N -2.67 0.64 -0.41 4.77 7.35 -1.16 -1.42 117.46 124.55 3jua n PHE 80 Ca -0.02 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 3jua n PHE 80 Cb 0.35 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 39.20 3jua n PHE 80 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3jua n PHE 81 N -2.13 0.00 -3.72 -5.13 3.72 -1.03 -4.92 117.46 104.25 3jua n PHE 81 Ca 0.00 -0.27 -0.35 0.00 -0.05 0.00 0.00 57.45 56.79 3jua n PHE 81 Cb 0.09 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.52 3jua n PHE 81 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3jua s LYS 82 N -0.54 2.90 0.68 -1.08 1.02 -0.51 -5.07 119.74 117.14 3jua s LYS 82 Ca 0.00 -3.07 -0.17 0.00 0.02 0.00 0.00 55.97 52.75 3jua s LYS 82 Cb 0.00 -3.78 -0.06 0.00 -0.52 0.00 0.00 37.83 33.47 3jua s LYS 82 CO 0.00 -1.24 0.45 -2.30 -0.92 0.00 0.00 175.35 171.34 3jua n PRO 83 N 2.60 0.33 -2.30 -1.68 -0.02 -1.26 -4.93 135.00 127.75 3jua n PRO 83 Ca 0.17 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 3jua n PRO 83 Cb 0.37 -1.72 0.15 0.00 -0.02 0.00 0.00 33.50 32.28 3jua n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3jua s PRO 84 N -2.46 1.08 0.00 0.52 0.04 -1.26 -5.16 135.00 127.77 3jua s PRO 84 Ca 0.65 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.83 3jua s PRO 84 Cb -0.38 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3jua s PRO 84 CO 0.58 -1.97 0.04 0.39 0.04 0.00 0.00 177.00 176.07