#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lcd s LYS 2 N 0.00 0.46 -0.36 0.03 2.20 -1.26 -5.10 119.74 115.72 1lcd s LYS 2 Ca 0.00 -0.26 -0.38 0.00 -0.36 0.00 0.00 55.97 54.97 1lcd s LYS 2 Cb 0.00 -1.89 -0.14 0.00 -1.51 0.00 0.00 37.83 34.28 1lcd s LYS 2 CO 0.00 -0.61 2.04 -2.30 -0.36 0.00 0.00 175.35 174.12 1lcd n PRO 3 N 5.13 0.90 -2.31 4.03 -0.02 -1.26 -4.88 135.00 136.59 1lcd n PRO 3 Ca -0.08 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.27 1lcd n PRO 3 Cb 0.48 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1lcd n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lcd s VAL 4 N 5.91 3.61 0.69 -1.45 1.01 -1.26 -4.98 120.40 123.93 1lcd s VAL 4 Ca 1.08 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 1lcd s VAL 4 Cb -1.04 -4.39 0.06 0.00 0.00 0.00 0.00 36.38 31.00 1lcd s VAL 4 CO 0.57 -1.27 1.00 0.42 0.00 0.00 0.00 175.10 175.82 1lcd s THR 5 N 7.01 2.36 0.26 3.92 -4.23 -1.25 -2.42 115.64 121.29 1lcd s THR 5 Ca 0.53 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1lcd s THR 5 Cb -0.11 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.97 1lcd s THR 5 CO 0.21 -0.02 1.86 -0.07 -0.54 0.00 0.00 174.62 176.06 1lcd h LEU 6 N -0.54 0.96 -0.37 4.79 3.38 -1.92 -1.10 115.31 120.51 1lcd h LEU 6 Ca -0.44 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1lcd h LEU 6 Cb 1.31 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1lcd h LEU 6 CO 0.60 0.59 -0.15 1.88 0.09 0.00 0.00 178.44 181.45 1lcd h TYR 7 N 1.08 -0.37 0.21 1.13 0.05 -1.95 -0.12 116.97 117.01 1lcd h TYR 7 Ca 0.43 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.25 1lcd h TYR 7 Cb 0.24 0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1lcd h TYR 7 CO -0.01 -0.23 -0.15 -0.44 -1.05 0.00 0.00 178.16 176.28 1lcd h ASP 8 N -0.08 -0.39 -0.52 3.88 3.32 -1.58 0.33 116.42 121.37 1lcd h ASP 8 Ca 0.18 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1lcd h ASP 8 Cb 0.36 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1lcd h ASP 8 CO -0.43 -0.24 0.18 -0.37 -1.72 0.00 0.00 179.24 176.67 1lcd h VAL 9 N -0.37 1.22 0.34 -1.35 -1.51 -1.51 -1.65 116.25 111.42 1lcd h VAL 9 Ca -0.01 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1lcd h VAL 9 Cb 0.32 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1lcd h VAL 9 CO 0.00 0.28 -0.20 0.00 -1.23 0.00 0.00 177.57 176.42 1lcd h ALA 10 N 1.38 -1.07 -0.74 5.19 0.00 -0.69 -2.73 119.26 120.60 1lcd h ALA 10 Ca 0.19 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1lcd h ALA 10 Cb 0.23 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1lcd h ALA 10 CO -0.01 -1.04 -0.38 0.39 0.00 0.00 0.00 179.25 178.20 1lcd n GLU 11 N -3.54 -0.27 -0.01 0.00 1.02 0.11 -1.41 120.64 116.53 1lcd n GLU 11 Ca -0.06 1.13 -0.11 0.00 -0.02 0.00 0.00 57.16 58.10 1lcd n GLU 11 Cb 0.21 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1lcd n GLU 11 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1lcd h TYR 12 N 0.00 0.16 0.00 -0.32 3.20 -1.38 -1.31 116.97 117.32 1lcd h TYR 12 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1lcd h TYR 12 Cb 0.36 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1lcd h TYR 12 CO -0.72 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 175.92 1lcd n ALA 13 N -2.14 2.31 -3.05 1.82 0.00 -0.99 -4.92 120.51 113.54 1lcd n ALA 13 Ca -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1lcd n ALA 13 Cb 0.04 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.13 1lcd n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lcd n GLY 14 N 0.97 -0.14 3.16 0.00 0.00 -0.49 -4.82 105.19 103.86 1lcd n GLY 14 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1lcd n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lcd s VAL 15 N -3.26 0.11 0.29 1.61 -7.23 -0.85 -5.03 120.40 106.03 1lcd s VAL 15 Ca 0.02 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 1lcd s VAL 15 Cb -0.01 -0.82 -0.10 0.00 0.56 0.00 0.00 36.38 36.01 1lcd s VAL 15 CO 0.53 -0.49 1.20 -0.55 -0.31 0.00 0.00 175.10 175.49 1lcd s SER 16 N -1.95 7.03 0.04 4.85 0.15 -1.26 -3.92 113.70 118.64 1lcd s SER 16 Ca -0.07 2.44 -0.01 0.00 0.70 0.00 0.00 55.95 59.01 1lcd s SER 16 Cb -0.02 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1lcd s SER 16 CO -0.03 -0.34 0.23 0.00 1.20 0.00 0.00 173.24 174.30 1lcd n TYR 17 N 1.26 0.04 -0.01 3.44 9.36 -1.26 -0.71 117.16 129.28 1lcd n TYR 17 Ca 0.00 0.18 -0.17 0.00 3.32 0.00 0.00 57.90 61.24 1lcd n TYR 17 Cb 0.43 -0.58 -0.09 0.00 -0.63 0.00 0.00 39.34 38.47 1lcd n TYR 17 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1lcd h GLN 18 N 0.00 0.51 -0.64 2.98 7.50 -1.97 0.39 115.11 123.89 1lcd h GLN 18 Ca 0.07 -0.47 0.06 0.00 0.50 0.00 0.00 58.65 58.81 1lcd h GLN 18 Cb 0.10 0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 1lcd h GLN 18 CO -0.15 1.11 0.42 1.15 -1.50 0.00 0.00 178.83 179.86 1lcd h THR 19 N 0.09 1.01 0.13 -0.54 2.02 -1.68 0.33 112.91 114.27 1lcd h THR 19 Ca -0.06 -0.22 -0.24 0.00 0.77 0.00 0.00 66.41 66.66 1lcd h THR 19 Cb 1.27 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1lcd h THR 19 CO 0.12 0.12 -1.17 0.58 0.37 0.00 0.00 175.52 175.54 1lcd h VAL 20 N 0.64 1.24 -0.90 3.16 2.07 -0.92 -2.86 116.25 118.69 1lcd h VAL 20 Ca 0.28 -2.47 0.19 0.00 0.82 0.00 0.00 66.70 65.52 1lcd h VAL 20 Cb 0.26 2.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.89 1lcd h VAL 20 CO -0.08 0.71 0.59 -1.28 0.02 0.00 0.00 177.57 177.52 1lcd h SER 21 N -0.32 0.48 -0.34 0.57 0.87 0.28 -2.24 113.55 112.84 1lcd h SER 21 Ca -0.24 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 1lcd h SER 21 Cb 1.72 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 1lcd h SER 21 CO 0.10 0.20 0.02 0.03 -0.53 0.00 0.00 176.83 176.65 1lcd h ARG 22 N 0.48 0.60 -1.06 2.24 2.47 -0.26 0.32 114.38 119.17 1lcd h ARG 22 Ca 0.47 -0.18 0.28 0.00 -1.26 0.00 0.00 59.98 59.29 1lcd h ARG 22 Cb 1.06 -0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.25 1lcd h ARG 22 CO -0.20 0.70 0.71 0.28 0.56 0.00 0.00 179.97 182.03 1lcd h VAL 23 N 0.41 0.50 0.03 2.04 2.07 -1.19 -2.06 116.25 118.05 1lcd h VAL 23 Ca 0.10 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 1lcd h VAL 23 Cb 0.42 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lcd h VAL 23 CO 0.01 0.04 -0.73 0.58 0.02 0.00 0.00 177.57 177.50 1lcd h VAL 24 N 0.23 1.34 -2.25 2.57 2.07 -0.82 -3.49 116.25 115.90 1lcd h VAL 24 Ca 0.56 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1lcd h VAL 24 Cb 1.73 2.84 -0.17 0.00 -1.52 0.00 0.00 31.29 34.17 1lcd h VAL 24 CO -0.17 0.52 0.19 0.20 0.02 0.00 0.00 177.57 178.32 1lcd s ASN 25 N -6.62 -0.63 -1.17 0.57 0.01 0.10 -4.96 114.94 102.24 1lcd s ASN 25 Ca -0.23 0.54 -0.07 0.00 -0.71 0.00 0.00 52.86 52.39 1lcd s ASN 25 Cb 0.02 0.55 0.01 0.00 0.41 0.00 0.00 41.25 42.23 1lcd s ASN 25 CO 0.67 -0.69 0.98 1.67 -1.51 0.00 0.00 177.10 178.22 1lcd n GLN 26 N 0.62 -6.64 -1.67 -0.60 7.27 -1.26 -3.68 117.38 111.42 1lcd n GLN 26 Ca -0.19 0.71 -0.46 0.00 0.07 0.00 0.00 57.00 57.14 1lcd n GLN 26 Cb 0.59 -5.38 -0.04 0.00 2.41 0.00 0.00 30.24 27.81 1lcd n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lcd n ALA 27 N -4.55 1.28 -3.61 1.69 0.00 -1.22 -4.84 120.51 109.25 1lcd n ALA 27 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 1lcd n ALA 27 Cb 0.55 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1lcd n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lcd s SER 28 N 0.84 -0.23 -0.67 0.00 1.04 -1.26 -5.08 113.70 108.34 1lcd s SER 28 Ca 0.78 0.30 -0.04 0.00 0.48 0.00 0.00 55.95 57.47 1lcd s SER 28 Cb -0.68 0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1lcd s SER 28 CO 0.39 -0.18 0.68 1.41 0.98 0.00 0.00 173.24 176.51 1lcd n HIS 29 N 0.92 -3.10 -3.61 5.02 8.25 -1.26 -4.99 115.22 116.45 1lcd n HIS 29 Ca -0.07 1.20 -0.14 0.00 -0.26 0.00 0.00 57.72 58.45 1lcd n HIS 29 Cb 0.58 -4.10 -0.13 0.00 1.12 0.00 0.00 29.99 27.46 1lcd n HIS 29 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1lcd s VAL 30 N -2.90 -0.40 0.42 1.59 0.11 -1.26 -4.99 120.40 112.97 1lcd s VAL 30 Ca 0.06 0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 59.20 1lcd s VAL 30 Cb -0.02 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1lcd s VAL 30 CO 0.76 0.04 0.76 -0.44 -3.33 0.00 0.00 175.10 172.89 1lcd s SER 31 N 2.40 6.44 0.12 3.54 0.01 -1.26 -4.97 113.70 119.98 1lcd s SER 31 Ca 0.03 1.05 -0.29 0.00 1.31 0.00 0.00 55.95 58.05 1lcd s SER 31 Cb -0.13 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1lcd s SER 31 CO -0.10 -0.44 1.59 0.00 0.41 0.00 0.00 173.24 174.70 1lcd h ALA 32 N 0.96 -0.58 0.20 1.44 0.00 -2.01 -1.90 119.26 117.37 1lcd h ALA 32 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1lcd h ALA 32 Cb 1.19 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1lcd h ALA 32 CO 0.63 -0.91 -0.21 -0.22 0.00 0.00 0.00 179.25 178.54 1lcd h LYS 33 N -0.53 -0.44 -0.53 0.00 1.63 -2.00 -2.00 116.57 112.70 1lcd h LYS 33 Ca 0.06 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1lcd h LYS 33 Cb 0.62 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1lcd h LYS 33 CO -0.31 -0.29 0.28 1.79 -3.45 0.00 0.00 179.45 177.47 1lcd h THR 34 N -0.45 1.18 -0.86 1.00 1.35 -1.96 -1.48 112.91 111.69 1lcd h THR 34 Ca 0.00 -0.48 0.05 0.00 -0.55 0.00 0.00 66.41 65.43 1lcd h THR 34 Cb 0.43 0.53 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 1lcd h THR 34 CO -0.06 0.20 0.56 -0.09 -0.25 0.00 0.00 175.52 175.89 1lcd h ARG 35 N 0.71 0.99 -0.30 4.72 2.43 -1.20 -0.26 114.38 121.48 1lcd h ARG 35 Ca 0.19 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1lcd h ARG 35 Cb 0.06 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1lcd h ARG 35 CO -0.03 0.66 0.05 1.49 -1.51 0.00 0.00 179.97 180.63 1lcd h GLU 36 N 1.02 0.15 -0.00 0.20 4.57 -0.99 -1.91 114.58 117.62 1lcd h GLU 36 Ca 0.36 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1lcd h GLU 36 Cb 0.12 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1lcd h GLU 36 CO -0.12 0.10 -0.17 0.87 -1.18 0.00 0.00 179.01 178.51 1lcd h LYS 37 N 0.16 -0.27 -0.40 1.92 1.79 -0.04 -1.43 116.57 118.29 1lcd h LYS 37 Ca 0.14 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.54 1lcd h LYS 37 Cb 0.15 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1lcd h LYS 37 CO -0.19 -0.18 -0.09 0.28 -1.08 0.00 0.00 179.45 178.19 1lcd h VAL 38 N -0.28 1.25 -0.41 0.50 2.07 -1.15 0.27 116.25 118.49 1lcd h VAL 38 Ca 0.06 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1lcd h VAL 38 Cb 0.35 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1lcd h VAL 38 CO -0.17 0.37 0.18 -0.33 0.02 0.00 0.00 177.57 177.65 1lcd h GLU 39 N 0.64 0.61 -0.44 1.57 5.08 -1.10 0.16 114.58 121.10 1lcd h GLU 39 Ca 0.11 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1lcd h GLU 39 Cb 0.53 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1lcd h GLU 39 CO 0.03 0.55 0.02 0.00 -1.00 0.00 0.00 179.01 178.61 1lcd h ALA 40 N 1.03 1.21 0.29 3.43 0.00 -0.82 -2.05 119.26 122.36 1lcd h ALA 40 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1lcd h ALA 40 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lcd h ALA 40 CO -0.01 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 1lcd h ALA 41 N 1.36 -0.39 -0.75 0.00 0.00 -0.03 -1.65 119.26 117.80 1lcd h ALA 41 Ca 0.14 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.15 1lcd h ALA 41 Cb 0.38 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1lcd h ALA 41 CO 0.01 -0.67 0.61 0.52 0.00 0.00 0.00 179.25 179.72 1lcd h MET 42 N -0.49 0.00 0.00 0.00 2.07 -0.41 0.99 114.93 117.10 1lcd h MET 42 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1lcd h MET 42 Cb 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1lcd h MET 42 CO 0.07 0.00 -0.12 0.00 1.07 0.00 0.00 176.91 177.93 1lcd h ALA 43 N 1.49 0.00 -0.84 6.32 0.00 -1.18 -3.22 119.26 121.83 1lcd h ALA 43 Ca 0.36 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1lcd h ALA 43 Cb 1.57 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 1lcd h ALA 43 CO -0.00 0.12 0.55 0.93 0.00 0.00 0.00 179.25 180.84 1lcd h GLU 44 N -0.48 0.47 -3.75 0.00 3.07 -1.22 -2.67 114.58 109.99 1lcd h GLU 44 Ca 0.00 -0.03 -0.72 0.00 -0.50 0.00 0.00 59.36 58.12 1lcd h GLU 44 Cb 0.12 -0.11 -0.33 0.00 -0.84 0.00 0.00 28.75 27.59 1lcd h GLU 44 CO 0.00 0.31 -0.30 -0.51 -1.40 0.00 0.00 179.01 177.12 1lcd s LEU 45 N -9.51 5.55 0.00 1.33 1.43 0.33 -4.99 118.68 112.82 1lcd s LEU 45 Ca -0.09 -2.69 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 1lcd s LEU 45 Cb 0.22 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1lcd s LEU 45 CO 0.78 -0.44 0.00 -0.46 0.23 0.00 0.00 176.35 176.45 1lcd n ASN 46 N 3.77 0.00 -1.86 2.29 0.23 -1.01 -4.04 115.26 114.64 1lcd n ASN 46 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1lcd n ASN 46 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 1lcd n ASN 46 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1lcd n TYR 47 N -2.60 -3.40 -3.99 -2.53 9.36 -1.26 -4.87 117.16 107.86 1lcd n TYR 47 Ca 0.00 1.92 -0.31 0.00 3.32 0.00 0.00 57.90 62.83 1lcd n TYR 47 Cb 0.00 -2.68 -0.16 0.00 -0.63 0.00 0.00 39.34 35.88 1lcd n TYR 47 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1lcd s ILE 48 N -1.01 1.74 0.16 2.97 1.09 -1.02 -5.03 121.20 120.10 1lcd s ILE 48 Ca 0.00 -1.26 -0.33 0.00 -1.10 0.00 0.00 60.65 57.96 1lcd s ILE 48 Cb 0.00 -1.90 -0.13 0.00 -1.06 0.00 0.00 42.46 39.38 1lcd s ILE 48 CO 0.00 0.01 1.69 -2.65 -0.10 0.00 0.00 174.94 173.90 1lcd n PRO 49 N 4.61 2.51 -1.04 2.79 -0.02 -1.26 -1.72 135.00 140.86 1lcd n PRO 49 Ca -0.14 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 1lcd n PRO 49 Cb 0.44 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.19 1lcd n PRO 49 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lcd n ASN 50 N 4.17 -4.30 -0.36 2.55 4.13 -1.26 -5.16 115.26 115.03 1lcd n ASN 50 Ca 0.17 0.04 0.04 0.00 1.68 0.00 0.00 54.58 56.51 1lcd n ASN 50 Cb 0.33 -1.93 0.04 0.00 -1.54 0.00 0.00 39.78 36.68 1lcd n ASN 50 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08