#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s LYS 2 N 0.00 4.04 -0.04 1.61 -0.14 -1.26 -5.07 119.74 118.89 2otl s LYS 2 Ca 0.00 0.16 -0.06 0.00 -1.36 0.00 0.00 55.97 54.71 2otl s LYS 2 Cb 0.00 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 2otl s LYS 2 CO 0.00 -0.29 0.21 -1.59 -0.76 0.00 0.00 175.35 172.92 2otl s LYS 3 N 2.12 3.52 0.67 1.68 -2.85 -1.26 -5.10 119.74 118.52 2otl s LYS 3 Ca 0.18 -0.14 -0.08 0.00 -1.00 0.00 0.00 55.97 54.93 2otl s LYS 3 Cb -0.16 -3.12 0.03 0.00 -2.06 0.00 0.00 37.83 32.52 2otl s LYS 3 CO 0.10 0.70 1.01 -1.54 0.10 0.00 0.00 175.35 175.71 2otl s SER 4 N -1.53 5.20 0.35 0.03 1.04 -1.26 -4.87 113.70 112.66 2otl s SER 4 Ca 0.23 0.73 0.06 0.00 0.48 0.00 0.00 55.95 57.45 2otl s SER 4 Cb -0.13 -1.52 0.73 0.00 0.10 0.00 0.00 66.02 65.20 2otl s SER 4 CO 0.13 -1.38 1.94 0.50 0.98 0.00 0.00 173.24 175.41 2otl h LYS 5 N -0.51 0.76 -0.05 4.02 3.64 -1.99 -0.43 116.57 122.02 2otl h LYS 5 Ca -0.45 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2otl h LYS 5 Cb 1.28 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2otl h LYS 5 CO 0.62 0.50 -0.08 0.00 -2.27 0.00 0.00 179.45 178.22 2otl h ALA 6 N 1.59 0.08 -1.00 5.00 0.00 -1.99 -2.14 119.26 120.79 2otl h ALA 6 Ca 0.34 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2otl h ALA 6 Cb 0.31 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2otl h ALA 6 CO -0.12 -0.08 0.64 1.15 0.00 0.00 0.00 179.25 180.84 2otl h THR 7 N -0.36 1.00 -0.23 0.00 2.02 -1.83 -0.09 112.91 113.42 2otl h THR 7 Ca 0.00 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 2otl h THR 7 Cb 0.65 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2otl h THR 7 CO 0.02 0.20 -0.21 0.50 0.37 0.00 0.00 175.52 176.40 2otl h LYS 8 N 1.08 0.42 -0.34 6.66 3.64 -1.03 -1.05 116.57 125.96 2otl h LYS 8 Ca 0.47 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2otl h LYS 8 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2otl h LYS 8 CO -0.22 0.61 -0.27 0.87 -2.27 0.00 0.00 179.45 178.18 2otl h LYS 9 N 0.38 0.78 -0.45 1.90 1.57 -0.36 -2.08 116.57 118.31 2otl h LYS 9 Ca 0.06 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2otl h LYS 9 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2otl h LYS 9 CO 0.04 1.02 0.17 0.00 -0.57 0.00 0.00 179.45 180.10 2otl h ARG 10 N 0.56 0.69 -0.70 3.15 3.08 -1.00 -1.21 114.38 118.95 2otl h ARG 10 Ca 0.06 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2otl h ARG 10 Cb 0.84 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 2otl h ARG 10 CO 0.07 0.64 0.24 -0.07 -1.07 0.00 0.00 179.97 179.78 2otl h LEU 11 N 0.59 0.99 -0.52 3.04 3.38 -1.19 -1.61 115.31 120.00 2otl h LEU 11 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2otl h LEU 11 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2otl h LEU 11 CO -0.01 0.91 0.26 0.00 0.09 0.00 0.00 178.44 179.69 2otl h ALA 12 N 1.22 0.67 -0.08 1.53 0.00 -1.01 -1.13 119.26 120.46 2otl h ALA 12 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2otl h ALA 12 Cb 0.26 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2otl h ALA 12 CO -0.01 0.22 0.04 -0.22 0.00 0.00 0.00 179.25 179.28 2otl h LYS 13 N 0.69 0.11 -0.91 0.00 3.64 -0.93 -1.92 116.57 117.24 2otl h LYS 13 Ca 0.18 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.69 2otl h LYS 13 Cb 0.10 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2otl h LYS 13 CO -0.02 0.14 0.59 -0.07 -2.27 0.00 0.00 179.45 177.81 2otl h LEU 14 N 0.04 0.69 -0.38 5.20 3.38 -1.00 0.17 115.31 123.41 2otl h LEU 14 Ca 0.03 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2otl h LEU 14 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2otl h LEU 14 CO -0.00 0.35 0.05 -0.78 0.09 0.00 0.00 178.44 178.14 2otl h ASP 15 N 0.73 0.62 -0.03 -0.43 3.58 -0.63 -1.60 116.42 118.66 2otl h ASP 15 Ca 0.46 -0.27 -0.12 0.00 0.42 0.00 0.00 57.03 57.53 2otl h ASP 15 Cb 0.71 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2otl h ASP 15 CO -0.22 0.73 -0.35 -1.13 -2.88 0.00 0.00 179.24 175.39 2otl h ASN 16 N 0.48 0.54 0.52 2.28 -0.00 -0.27 -2.04 115.58 117.09 2otl h ASN 16 Ca 0.11 -0.22 -0.03 0.00 -0.00 0.00 0.00 56.30 56.17 2otl h ASN 16 Cb 0.38 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.55 2otl h ASN 16 CO 0.01 0.85 -0.12 1.56 -0.00 0.00 0.00 177.43 179.72 2otl h GLN 17 N 0.44 0.00 0.00 6.67 4.20 -0.57 -2.59 115.11 123.25 2otl h GLN 17 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2otl h GLN 17 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2otl h GLN 17 CO 0.07 0.12 0.00 -1.71 -0.67 0.00 0.00 178.83 176.64 2otl n ASN 18 N -3.50 0.00 -4.94 1.46 4.05 -0.62 -4.82 115.26 106.90 2otl n ASN 18 Ca -0.01 -1.35 -0.24 0.00 0.45 0.00 0.00 54.58 53.43 2otl n ASN 18 Cb 0.27 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.32 2otl n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2otl s SER 19 N -1.39 5.38 0.70 1.20 1.04 -0.98 -4.85 113.70 114.79 2otl s SER 19 Ca 0.06 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 2otl s SER 19 Cb 0.03 -1.34 0.02 0.00 0.10 0.00 0.00 66.02 64.83 2otl s SER 19 CO 0.05 -1.14 1.08 -0.60 0.98 0.00 0.00 173.24 173.60 2otl s ARG 20 N -4.92 2.81 -0.17 4.02 3.52 -1.26 -4.97 118.95 117.98 2otl s ARG 20 Ca 0.55 0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.23 2otl s ARG 20 Cb -0.10 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.22 2otl s ARG 20 CO 0.42 -1.03 1.24 0.08 -0.81 0.00 0.00 175.30 175.20 2otl s VAL 21 N -3.32 4.33 0.23 7.11 1.01 -1.26 -4.96 120.40 123.53 2otl s VAL 21 Ca 0.58 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 2otl s VAL 21 Cb -0.11 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.08 2otl s VAL 21 CO 0.51 -0.14 0.95 -0.81 0.00 0.00 0.00 175.10 175.61 2otl n PRO 22 N 6.55 0.96 -0.35 2.72 -0.04 -1.26 -4.84 135.00 138.73 2otl n PRO 22 Ca 0.14 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 2otl n PRO 22 Cb 0.45 -1.67 0.34 0.00 -0.04 0.00 0.00 33.50 32.58 2otl n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2otl h ALA 23 N 2.19 1.71 -0.04 0.55 0.00 -2.02 -1.63 119.26 120.01 2otl h ALA 23 Ca -0.38 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2otl h ALA 23 Cb 1.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2otl h ALA 23 CO 0.63 -0.12 -0.16 0.11 0.00 0.00 0.00 179.25 179.70 2otl h TRP 24 N 0.70 0.06 -0.53 0.00 5.08 -2.01 -2.43 115.95 116.82 2otl h TRP 24 Ca 0.60 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 60.51 2otl h TRP 24 Cb 1.01 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.12 2otl h TRP 24 CO -0.01 0.22 0.12 0.28 -1.28 0.00 0.00 178.44 177.77 2otl h VAL 25 N 0.06 1.23 -0.46 0.12 2.07 -1.64 -1.24 116.25 116.39 2otl h VAL 25 Ca 0.01 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.76 2otl h VAL 25 Cb 0.32 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2otl h VAL 25 CO 0.02 0.31 0.18 0.24 0.02 0.00 0.00 177.57 178.34 2otl h MET 26 N 0.79 0.35 -0.23 1.57 2.86 -1.48 -1.08 114.93 117.71 2otl h MET 26 Ca 0.17 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 2otl h MET 26 Cb 0.31 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2otl h MET 26 CO 0.00 0.23 -0.20 -0.07 1.06 0.00 0.00 176.91 177.93 2otl h LEU 27 N 0.36 0.57 -2.56 1.22 3.38 -1.50 0.90 115.31 117.68 2otl h LEU 27 Ca 0.22 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2otl h LEU 27 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2otl h LEU 27 CO -0.21 0.92 -0.02 0.50 0.09 0.00 0.00 178.44 179.72 2otl h LYS 28 N 0.23 0.00 -0.30 1.13 3.64 -0.90 -1.63 116.57 118.74 2otl h LYS 28 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2otl h LYS 28 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2otl h LYS 28 CO 0.05 0.02 0.00 0.25 -2.27 0.00 0.00 179.45 177.50 2otl n THR 29 N -3.39 0.78 -2.74 1.00 -2.24 -0.44 -4.96 114.28 102.29 2otl n THR 29 Ca -0.03 -0.89 -0.14 0.00 -2.27 0.00 0.00 64.05 60.72 2otl n THR 29 Cb 0.12 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2otl n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2otl n ASP 30 N 0.63 -3.48 -1.08 3.42 8.00 -0.61 -5.04 116.55 118.39 2otl n ASP 30 Ca 0.12 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2otl n ASP 30 Cb 0.41 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 2otl n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2otl n ARG 31 N -3.06 -3.06 0.00 -1.24 1.74 0.24 -5.02 116.66 106.26 2otl n ARG 31 Ca -0.09 2.24 0.00 0.00 -0.77 0.00 0.00 57.85 59.23 2otl n ARG 31 Cb 0.58 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 2otl n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2otl n ARG 35 N -0.38 0.00 -2.76 5.56 0.63 -1.26 -5.04 116.66 113.41 2otl n ARG 35 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 2otl n ARG 35 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2otl n ARG 35 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2otl s ASN 36 N 0.00 6.62 0.00 6.15 2.47 -1.26 -4.92 114.94 124.00 2otl s ASN 36 Ca 0.00 0.42 0.30 0.00 0.42 0.00 0.00 52.86 54.00 2otl s ASN 36 Cb 0.00 -2.48 1.59 0.00 -1.45 0.00 0.00 41.25 38.91 2otl s ASN 36 CO 0.00 -1.01 2.07 1.41 -3.72 0.00 0.00 177.10 175.85 2otl n HIS 37 N 7.15 0.00 -1.83 0.43 8.25 -1.26 -3.83 115.22 124.13 2otl n HIS 37 Ca 0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.31 2otl n HIS 37 Cb 0.48 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.43 2otl n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2otl n LYS 38 N -1.21 3.23 -2.43 -0.41 5.02 -1.26 -5.02 118.16 116.08 2otl n LYS 38 Ca 0.16 -3.90 -0.43 0.00 -2.02 0.00 0.00 58.31 52.13 2otl n LYS 38 Cb 0.20 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 32.97 2otl n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2otl s ARG 39 N -3.61 4.29 -0.17 1.97 0.52 -1.25 -4.73 118.95 115.98 2otl s ARG 39 Ca 0.53 1.69 0.01 0.00 -0.52 0.00 0.00 55.73 57.43 2otl s ARG 39 Cb 0.43 -3.66 0.02 0.00 0.52 0.00 0.00 34.95 32.26 2otl s ARG 39 CO 0.02 -0.58 -0.18 0.50 0.02 0.00 0.00 175.30 175.08 2otl s ARG 40 N 2.84 2.77 0.06 3.54 3.52 -1.26 -5.05 118.95 125.36 2otl s ARG 40 Ca 0.56 -0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 2otl s ARG 40 Cb -0.24 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.68 2otl s ARG 40 CO 0.19 -0.21 0.43 -1.58 -0.81 0.00 0.00 175.30 173.31 2otl s HIS 41 N 1.33 3.65 0.32 5.12 5.65 -1.26 -4.96 115.29 125.13 2otl s HIS 41 Ca 0.05 0.91 -0.00 0.00 0.25 0.00 0.00 55.06 56.27 2otl s HIS 41 Cb -0.13 -2.24 0.51 0.00 -1.18 0.00 0.00 32.58 29.54 2otl s HIS 41 CO -0.12 0.56 1.98 0.11 -0.65 0.00 0.00 174.74 176.61 2otl h TRP 42 N 4.10 0.97 0.00 3.88 5.08 -2.00 0.23 115.95 128.20 2otl h TRP 42 Ca -0.50 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.44 2otl h TRP 42 Cb 1.20 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 2otl h TRP 42 CO 0.68 0.60 -0.57 -0.09 -1.28 0.00 0.00 178.44 177.78 2otl h ARG 43 N 1.03 0.00 -0.22 0.12 2.43 -2.05 -3.40 114.38 112.30 2otl h ARG 43 Ca 0.29 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2otl h ARG 43 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2otl h ARG 43 CO -0.07 0.32 -0.02 0.00 -1.51 0.00 0.00 179.97 178.69 2otl h ARG 44 N -1.00 0.33 -6.19 0.20 2.47 -1.99 -3.45 114.38 104.76 2otl h ARG 44 Ca -0.09 -0.06 -0.56 0.00 -1.26 0.00 0.00 59.98 58.02 2otl h ARG 44 Cb 0.65 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2otl h ARG 44 CO -0.05 0.37 -0.22 -0.80 0.56 0.00 0.00 179.97 179.84 2otl s ASN 45 N -6.83 4.77 -0.07 7.04 0.01 0.07 -4.95 114.94 114.98 2otl s ASN 45 Ca -0.06 -1.14 -0.03 0.00 -0.71 0.00 0.00 52.86 50.92 2otl s ASN 45 Cb 0.16 0.46 0.04 0.00 0.41 0.00 0.00 41.25 42.32 2otl s ASN 45 CO 0.73 -1.24 0.12 -0.62 -1.51 0.00 0.00 177.10 174.59 2otl s ASP 46 N -4.45 0.62 0.97 -1.22 -1.08 -1.26 -4.77 116.67 105.49 2otl s ASP 46 Ca 0.44 0.25 -0.15 0.00 -0.52 0.00 0.00 52.55 52.57 2otl s ASP 46 Cb -0.03 0.14 0.21 0.00 -1.46 0.00 0.00 42.92 41.78 2otl s ASP 46 CO 0.27 -0.22 1.29 0.35 0.52 0.00 0.00 175.17 177.38 2otl n THR 47 N 5.02 0.00 -2.46 1.71 -2.24 -1.26 -5.10 114.28 109.96 2otl n THR 47 Ca -0.10 -1.06 -0.25 0.00 -2.27 0.00 0.00 64.05 60.37 2otl n THR 47 Cb 0.50 -1.43 0.12 0.00 -2.10 0.00 0.00 70.33 67.42 2otl n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2otl s ASP 48 N -5.76 4.17 0.00 3.42 -0.00 -1.26 -5.27 116.67 111.97 2otl s ASP 48 Ca 0.74 -0.21 0.00 0.00 -0.00 0.00 0.00 52.55 53.08 2otl s ASP 48 Cb -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 42.92 42.77 2otl s ASP 48 CO 0.52 -1.99 0.00 -0.62 -0.00 0.00 0.00 175.17 173.08