#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lmb h THR 2 N 0.00 1.10 -0.85 6.66 1.35 -2.09 -3.36 112.91 115.71 1lmb h THR 2 Ca 0.00 -0.22 0.10 0.00 -0.55 0.00 0.00 66.41 65.75 1lmb h THR 2 Cb 0.00 0.40 -0.13 0.00 -1.73 0.00 0.00 68.15 66.70 1lmb h THR 2 CO 0.00 0.12 -0.50 0.50 -0.25 0.00 0.00 175.52 175.39 1lmb h LYS 3 N 0.64 -0.08 -6.49 4.72 1.63 -2.10 -3.42 116.57 111.47 1lmb h LYS 3 Ca 0.19 0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 59.33 1lmb h LYS 3 Cb -0.04 0.02 -0.28 0.00 -0.60 0.00 0.00 32.23 31.33 1lmb h LYS 3 CO -0.06 -0.05 -0.88 0.15 -3.45 0.00 0.00 179.45 175.16 1lmb s LYS 4 N -5.71 1.84 -0.15 1.90 1.02 -1.26 -5.15 119.74 112.24 1lmb s LYS 4 Ca -0.13 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.84 1lmb s LYS 4 Cb 0.14 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1lmb s LYS 4 CO 0.66 0.50 0.05 0.21 -0.92 0.00 0.00 175.35 175.85 1lmb s LYS 5 N -0.87 3.63 0.68 1.68 2.20 -1.26 -4.56 119.74 121.25 1lmb s LYS 5 Ca 0.10 -0.34 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 1lmb s LYS 5 Cb -0.09 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1lmb s LYS 5 CO 0.00 0.46 1.12 -1.25 -0.36 0.00 0.00 175.35 175.32 1lmb s PRO 6 N -0.16 2.62 0.49 4.03 0.04 -1.26 -4.98 135.00 135.78 1lmb s PRO 6 Ca 0.07 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1lmb s PRO 6 Cb -0.12 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1lmb s PRO 6 CO 0.01 -1.39 0.98 -0.51 0.04 0.00 0.00 177.00 176.13 1lmb s LEU 7 N -5.04 3.73 1.08 -3.56 1.02 -1.26 -5.06 118.68 109.59 1lmb s LEU 7 Ca 0.67 1.63 -0.16 0.00 0.02 0.00 0.00 54.13 56.29 1lmb s LEU 7 Cb -0.21 -4.52 0.23 0.00 0.02 0.00 0.00 46.19 41.71 1lmb s LEU 7 CO 0.44 -0.54 1.14 0.42 0.02 0.00 0.00 176.35 177.83 1lmb s THR 8 N -2.45 1.80 0.29 5.49 -4.23 -1.26 -4.82 115.64 110.47 1lmb s THR 8 Ca 0.60 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1lmb s THR 8 Cb -0.10 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1lmb s THR 8 CO 0.25 0.00 1.73 -0.61 -0.54 0.00 0.00 174.62 175.45 1lmb h GLN 9 N -2.14 0.43 -0.38 3.99 4.15 -1.99 -2.34 115.11 116.83 1lmb h GLN 9 Ca -0.48 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 58.65 1lmb h GLN 9 Cb 1.30 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 1lmb h GLN 9 CO 0.44 0.66 -0.30 1.49 -1.93 0.00 0.00 178.83 179.20 1lmb h GLU 10 N 0.38 0.82 -0.17 1.69 4.81 -2.00 -2.24 114.58 117.88 1lmb h GLU 10 Ca 0.05 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1lmb h GLU 10 Cb 0.67 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1lmb h GLU 10 CO 0.05 1.01 -0.06 1.96 -0.73 0.00 0.00 179.01 181.24 1lmb h GLN 11 N 0.70 0.25 -0.33 1.92 4.20 -1.85 -2.09 115.11 117.91 1lmb h GLN 11 Ca 0.08 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 1lmb h GLN 11 Cb 0.84 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1lmb h GLN 11 CO 0.07 0.33 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.07 1lmb h LEU 12 N 0.25 0.89 -0.50 1.46 3.38 -1.03 -2.15 115.31 117.61 1lmb h LEU 12 Ca 0.05 -0.42 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 1lmb h LEU 12 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1lmb h LEU 12 CO 0.01 1.19 -0.53 -0.33 0.09 0.00 0.00 178.44 178.87 1lmb h GLU 13 N 0.67 0.61 -0.40 1.13 5.08 -1.13 -2.49 114.58 118.04 1lmb h GLU 13 Ca 0.05 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1lmb h GLU 13 Cb 0.99 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1lmb h GLU 13 CO 0.10 0.99 0.16 -0.44 -1.00 0.00 0.00 179.01 178.82 1lmb h ASP 14 N 0.47 0.21 -0.68 1.42 3.32 -1.25 0.91 116.42 120.81 1lmb h ASP 14 Ca 0.01 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1lmb h ASP 14 Cb 1.08 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1lmb h ASP 14 CO 0.10 0.16 0.29 0.00 -1.72 0.00 0.00 179.24 178.07 1lmb h ALA 15 N 1.24 1.19 -0.38 3.45 0.00 -1.32 0.14 119.26 123.58 1lmb h ALA 15 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1lmb h ALA 15 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lmb h ALA 15 CO -0.16 0.60 -0.16 -0.09 0.00 0.00 0.00 179.25 179.43 1lmb h ARG 16 N 1.02 0.78 -0.02 0.00 1.12 -0.97 -1.12 114.38 115.19 1lmb h ARG 16 Ca 0.24 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1lmb h ARG 16 Cb 0.17 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1lmb h ARG 16 CO -0.02 0.95 0.02 0.00 -3.11 0.00 0.00 179.97 177.80 1lmb h ARG 17 N 0.58 0.03 -0.10 0.20 3.08 -0.51 -2.24 114.38 115.42 1lmb h ARG 17 Ca 0.09 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1lmb h ARG 17 Cb 0.71 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1lmb h ARG 17 CO 0.05 0.02 -0.07 1.25 -1.07 0.00 0.00 179.97 180.15 1lmb h LEU 18 N 0.03 -0.24 -1.57 3.04 5.85 -0.84 -2.50 115.31 119.09 1lmb h LEU 18 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1lmb h LEU 18 Cb -0.00 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1lmb h LEU 18 CO -0.00 -0.10 0.13 0.50 -0.34 0.00 0.00 178.44 178.62 1lmb h LYS 19 N -0.08 0.41 -0.22 1.25 3.64 -1.15 -1.95 116.57 118.47 1lmb h LYS 19 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1lmb h LYS 19 Cb 0.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1lmb h LYS 19 CO -0.15 0.34 -0.43 0.00 -2.27 0.00 0.00 179.45 176.93 1lmb h ALA 20 N 1.73 0.84 -0.39 5.00 0.00 -1.00 0.19 119.26 125.63 1lmb h ALA 20 Ca 0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1lmb h ALA 20 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lmb h ALA 20 CO -0.01 0.65 -0.11 0.82 0.00 0.00 0.00 179.25 180.60 1lmb h ILE 21 N 0.43 1.28 -0.67 0.00 2.04 -1.12 -0.46 117.51 119.00 1lmb h ILE 21 Ca 0.03 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1lmb h ILE 21 Cb 0.93 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1lmb h ILE 21 CO 0.08 0.40 0.30 0.22 0.00 0.00 0.00 178.15 179.16 1lmb h TYR 22 N 0.58 1.00 -0.16 1.37 3.20 -1.17 0.30 116.97 122.08 1lmb h TYR 22 Ca 0.10 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1lmb h TYR 22 Cb 0.64 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1lmb h TYR 22 CO 0.05 0.76 0.01 0.93 -1.64 0.00 0.00 178.16 178.27 1lmb h GLU 23 N 0.94 0.29 -0.69 1.82 4.39 -0.79 0.18 114.58 120.71 1lmb h GLU 23 Ca 0.23 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1lmb h GLU 23 Cb 0.16 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1lmb h GLU 23 CO -0.02 0.50 0.46 0.87 -1.16 0.00 0.00 179.01 179.65 1lmb h LYS 24 N 0.04 0.75 -0.01 2.33 1.57 -0.64 -3.18 116.57 117.43 1lmb h LYS 24 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lmb h LYS 24 Cb 0.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1lmb h LYS 24 CO 0.01 0.50 -0.26 1.63 -0.57 0.00 0.00 179.45 180.76 1lmb n LYS 25 N -4.47 1.69 0.25 3.15 5.02 0.06 -4.55 118.16 119.31 1lmb n LYS 25 Ca 0.09 -0.84 0.15 0.00 -2.02 0.00 0.00 58.31 55.69 1lmb n LYS 25 Cb 0.17 -1.23 0.83 0.00 -0.02 0.00 0.00 35.03 34.79 1lmb n LYS 25 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1lmb h LYS 26 N 1.79 0.00 0.13 1.97 2.10 -0.63 -1.70 116.57 120.23 1lmb h LYS 26 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1lmb h LYS 26 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1lmb h LYS 26 CO 0.00 0.00 -0.06 -0.91 -2.00 0.00 0.00 179.45 176.48 1lmb h ASN 27 N 0.00 -0.15 0.31 7.07 4.21 -1.80 0.40 115.58 125.62 1lmb h ASN 27 Ca 0.04 -0.41 -0.03 0.00 1.21 0.00 0.00 56.30 57.11 1lmb h ASN 27 Cb 0.22 0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 1lmb h ASN 27 CO -0.00 0.42 -0.13 1.05 -1.29 0.00 0.00 177.43 177.48 1lmb h GLU 28 N -0.81 0.00 -0.00 0.81 4.11 -1.80 -1.84 114.58 115.05 1lmb h GLU 28 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1lmb h GLU 28 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1lmb h GLU 28 CO 0.03 0.13 -0.65 1.28 0.07 0.00 0.00 179.01 179.87 1lmb n LEU 29 N -3.78 0.78 -3.03 3.06 4.77 -0.66 -4.98 117.00 113.15 1lmb n LEU 29 Ca -0.02 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.60 1lmb n LEU 29 Cb 0.24 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1lmb n LEU 29 CO 0.31 0.18 0.09 0.61 -1.33 0.00 0.00 177.39 177.25 1lmb n GLY 30 N 1.48 -0.29 3.73 -0.72 0.00 0.27 -5.02 105.19 104.64 1lmb n GLY 30 Ca 0.06 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1lmb n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lmb s LEU 31 N -5.59 3.39 0.07 0.99 1.43 0.11 -5.03 118.68 114.06 1lmb s LEU 31 Ca 0.04 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1lmb s LEU 31 Cb -0.01 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1lmb s LEU 31 CO 0.61 -0.12 0.16 -0.94 0.23 0.00 0.00 176.35 176.30 1lmb s SER 32 N -3.79 0.13 0.38 2.29 1.04 -1.26 -4.77 113.70 107.72 1lmb s SER 32 Ca 0.34 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.24 1lmb s SER 32 Cb -0.06 0.31 0.76 0.00 0.10 0.00 0.00 66.02 67.13 1lmb s SER 32 CO 0.22 -0.66 1.99 1.56 0.98 0.00 0.00 173.24 177.33 1lmb h GLN 33 N 3.04 0.51 -0.24 4.02 4.20 -1.99 0.27 115.11 124.92 1lmb h GLN 33 Ca -0.33 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.17 1lmb h GLN 33 Cb 1.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1lmb h GLN 33 CO 0.55 0.43 -0.46 0.93 -0.67 0.00 0.00 178.83 179.60 1lmb h GLU 34 N 0.51 0.63 -0.24 1.46 5.08 -1.96 -0.67 114.58 119.41 1lmb h GLU 34 Ca 0.13 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1lmb h GLU 34 Cb 0.10 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1lmb h GLU 34 CO -0.01 0.96 -0.25 0.66 -1.00 0.00 0.00 179.01 179.36 1lmb h SER 35 N 0.51 0.63 -0.37 1.42 4.64 -1.73 -2.41 113.55 116.23 1lmb h SER 35 Ca 0.03 -0.48 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 1lmb h SER 35 Cb 0.99 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.83 1lmb h SER 35 CO 0.09 0.98 -0.10 0.58 -0.87 0.00 0.00 176.83 177.52 1lmb h VAL 36 N 0.29 0.62 -0.48 0.95 2.07 -0.86 -1.54 116.25 117.30 1lmb h VAL 36 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1lmb h VAL 36 Cb 0.81 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 1lmb h VAL 36 CO 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.49 1lmb h ALA 37 N 1.35 0.23 -0.37 1.67 0.00 -1.05 -1.01 119.26 120.08 1lmb h ALA 37 Ca 0.18 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1lmb h ALA 37 Cb 0.28 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1lmb h ALA 37 CO -0.38 -0.49 -0.05 -0.44 0.00 0.00 0.00 179.25 177.88 1lmb h ASP 38 N -0.06 -0.27 0.08 0.00 3.32 -0.86 0.48 116.42 119.12 1lmb h ASP 38 Ca 0.23 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1lmb h ASP 38 Cb 0.41 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1lmb h ASP 38 CO -0.52 -0.09 -0.04 0.11 -1.72 0.00 0.00 179.24 176.98 1lmb h LYS 39 N 0.04 0.00 -0.01 3.56 1.57 -0.27 -0.29 116.57 121.17 1lmb h LYS 39 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1lmb h LYS 39 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1lmb h LYS 39 CO -0.35 0.04 -0.60 -1.33 -0.57 0.00 0.00 179.45 176.64 1lmb n MET 40 N -4.02 0.83 -2.52 3.15 2.81 -0.02 -4.97 117.12 112.37 1lmb n MET 40 Ca -0.03 -0.67 -0.04 0.00 -1.81 0.00 0.00 57.70 55.16 1lmb n MET 40 Cb 0.13 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1lmb n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lmb n GLY 41 N 1.44 0.61 3.28 3.03 0.00 0.15 -5.06 105.19 108.64 1lmb n GLY 41 Ca 0.08 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 1lmb n GLY 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1lmb n MET 42 N -1.22 0.53 -3.08 1.61 0.00 -0.34 -5.02 117.12 109.59 1lmb n MET 42 Ca -0.01 -3.13 -0.18 0.00 0.00 0.00 0.00 57.70 54.38 1lmb n MET 42 Cb 0.51 2.73 0.02 0.00 0.00 0.00 0.00 33.22 36.48 1lmb n MET 42 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1lmb s GLY 43 N -3.27 1.92 0.34 3.17 0.00 -1.26 -3.90 107.32 104.32 1lmb s GLY 43 Ca 0.36 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.35 1lmb s GLY 43 CO 0.25 -1.57 1.88 -1.61 0.00 0.00 0.00 173.10 172.06 1lmb h GLN 44 N 0.56 0.74 -0.03 2.90 -0.00 -1.89 -0.40 115.11 116.99 1lmb h GLN 44 Ca -0.38 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.15 1lmb h GLN 44 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 1lmb h GLN 44 CO 0.45 0.49 -0.38 0.66 0.00 0.00 0.00 178.83 180.05 1lmb h SER 45 N 0.76 0.06 -0.51 -0.69 4.64 -1.95 0.14 113.55 116.00 1lmb h SER 45 Ca 0.43 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.66 1lmb h SER 45 Cb 0.60 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1lmb h SER 45 CO -0.20 0.43 0.05 1.23 -0.87 0.00 0.00 176.83 177.47 1lmb h GLY 46 N 1.16 0.94 1.19 -0.77 0.00 -1.45 -0.62 103.07 103.52 1lmb h GLY 46 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 47.33 46.48 1lmb h GLY 46 CO 0.05 0.61 -0.60 -2.08 0.00 0.00 0.00 176.54 174.52 1lmb h VAL 47 N 0.75 1.28 -0.88 4.60 2.07 -1.25 -2.94 116.25 119.88 1lmb h VAL 47 Ca 0.15 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.90 1lmb h VAL 47 Cb 0.46 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1lmb h VAL 47 CO 0.02 0.58 0.58 1.23 0.02 0.00 0.00 177.57 180.00 1lmb h GLY 48 N 0.69 1.25 0.98 2.17 0.00 -0.55 -0.79 103.07 106.83 1lmb h GLY 48 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1lmb h GLY 48 CO 0.13 0.42 0.24 0.00 0.00 0.00 0.00 176.54 177.33 1lmb h ALA 49 N 1.47 0.51 -0.07 3.60 0.00 -1.02 0.26 119.26 123.99 1lmb h ALA 49 Ca 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1lmb h ALA 49 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1lmb h ALA 49 CO -0.09 -0.00 0.02 -0.07 0.00 0.00 0.00 179.25 179.11 1lmb h LEU 50 N 0.53 0.11 -1.00 0.00 3.38 -1.26 0.40 115.31 117.47 1lmb h LEU 50 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1lmb h LEU 50 Cb -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1lmb h LEU 50 CO -0.03 0.32 0.57 -0.26 0.09 0.00 0.00 178.44 179.13 1lmb h PHE 51 N -0.10 1.21 -0.38 1.13 -1.00 -1.04 -2.97 116.94 113.80 1lmb h PHE 51 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1lmb h PHE 51 Cb 0.25 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1lmb h PHE 51 CO 0.01 0.80 0.00 0.09 -1.61 0.00 0.00 178.31 177.59 1lmb n ASN 52 N -4.36 3.02 -2.29 2.17 3.02 0.07 -4.53 115.26 112.36 1lmb n ASN 52 Ca 0.10 -2.28 -0.17 0.00 -0.03 0.00 0.00 54.58 52.21 1lmb n ASN 52 Cb 0.05 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1lmb n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lmb n GLY 53 N 0.76 -0.21 0.13 7.41 0.00 -1.03 -4.92 105.19 107.33 1lmb n GLY 53 Ca 0.15 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1lmb n GLY 53 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lmb n ILE 54 N -4.19 1.54 -4.70 -0.61 5.41 0.10 -4.76 119.36 112.15 1lmb n ILE 54 Ca -0.09 -0.48 -0.31 0.00 1.00 0.00 0.00 62.75 62.87 1lmb n ILE 54 Cb 0.59 -1.66 -0.13 0.00 -0.71 0.00 0.00 39.64 37.74 1lmb n ILE 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1lmb s ASN 55 N -6.93 3.90 0.44 4.38 0.01 -1.09 -4.77 114.94 110.86 1lmb s ASN 55 Ca -0.34 -0.36 -0.10 0.00 -0.71 0.00 0.00 52.86 51.34 1lmb s ASN 55 Cb 0.10 -0.69 -0.06 0.00 0.41 0.00 0.00 41.25 41.02 1lmb s ASN 55 CO 0.58 0.27 0.81 0.00 -1.51 0.00 0.00 177.10 177.25 1lmb s ALA 56 N -0.89 3.32 0.62 0.60 0.00 -1.26 -4.30 121.76 119.84 1lmb s ALA 56 Ca 0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 1lmb s ALA 56 Cb -0.11 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1lmb s ALA 56 CO 0.05 -0.11 1.05 -0.51 0.00 0.00 0.00 175.76 176.24 1lmb s LEU 57 N -4.05 3.39 0.40 0.00 1.43 -1.26 -5.01 118.68 113.58 1lmb s LEU 57 Ca 0.52 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 1lmb s LEU 57 Cb -0.10 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 1lmb s LEU 57 CO 0.34 -1.19 0.06 0.54 0.23 0.00 0.00 176.35 176.33 1lmb s ASN 58 N -3.15 3.12 0.30 2.29 2.20 -1.26 -4.98 114.94 113.46 1lmb s ASN 58 Ca 0.61 -1.51 -0.01 0.00 -0.94 0.00 0.00 52.86 51.01 1lmb s ASN 58 Cb -0.15 0.14 0.46 0.00 -2.00 0.00 0.00 41.25 39.70 1lmb s ASN 58 CO 0.42 -0.72 1.96 0.00 -2.94 0.00 0.00 177.10 175.83 1lmb h ALA 59 N 1.81 1.40 0.04 3.54 0.00 -1.98 -2.01 119.26 122.07 1lmb h ALA 59 Ca -0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1lmb h ALA 59 Cb 1.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lmb h ALA 59 CO 0.69 0.53 -0.02 -0.92 0.00 0.00 0.00 179.25 179.53 1lmb h TYR 60 N 1.06 -0.05 -0.73 0.00 3.20 -1.99 -1.85 116.97 116.61 1lmb h TYR 60 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1lmb h TYR 60 Cb -0.08 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1lmb h TYR 60 CO 0.00 0.25 0.35 -0.91 -1.64 0.00 0.00 178.16 176.21 1lmb h ASN 61 N -0.36 0.95 -0.75 -2.11 2.35 -1.97 -1.43 115.58 112.26 1lmb h ASN 61 Ca -0.01 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1lmb h ASN 61 Cb 0.33 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1lmb h ASN 61 CO 0.01 0.82 0.42 0.00 -1.65 0.00 0.00 177.43 177.03 1lmb h ALA 62 N 1.17 0.96 -0.33 -0.83 0.00 -1.35 -1.09 119.26 117.79 1lmb h ALA 62 Ca 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1lmb h ALA 62 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1lmb h ALA 62 CO -0.03 0.47 0.07 0.00 0.00 0.00 0.00 179.25 179.76 1lmb h ALA 63 N 1.22 0.44 -0.48 0.00 0.00 -0.97 -1.37 119.26 118.10 1lmb h ALA 63 Ca 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1lmb h ALA 63 Cb 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1lmb h ALA 63 CO -0.04 0.12 0.31 1.25 0.00 0.00 0.00 179.25 180.88 1lmb h LEU 64 N 0.38 0.52 -0.80 0.00 5.85 -1.02 -2.18 115.31 118.07 1lmb h LEU 64 Ca 0.10 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1lmb h LEU 64 Cb 0.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1lmb h LEU 64 CO 0.00 0.38 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.24 1lmb h LEU 65 N 0.63 0.71 -0.54 2.25 3.38 -1.12 -1.15 115.31 119.47 1lmb h LEU 65 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1lmb h LEU 65 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1lmb h LEU 65 CO -0.06 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.72 1lmb h ALA 66 N 1.17 0.69 -0.33 1.53 0.00 -0.94 0.43 119.26 121.82 1lmb h ALA 66 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1lmb h ALA 66 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1lmb h ALA 66 CO 0.05 0.13 0.12 0.87 0.00 0.00 0.00 179.25 180.41 1lmb h LYS 67 N 0.73 0.50 -0.86 0.00 1.57 -1.06 0.84 116.57 118.30 1lmb h LYS 67 Ca 0.20 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1lmb h LYS 67 Cb -0.08 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1lmb h LYS 67 CO -0.05 0.52 0.47 0.82 -0.57 0.00 0.00 179.45 180.64 1lmb h ILE 68 N 0.38 1.25 -0.01 1.86 2.04 -0.82 -2.42 117.51 119.79 1lmb h ILE 68 Ca 0.11 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1lmb h ILE 68 Cb 0.21 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1lmb h ILE 68 CO -0.01 0.28 -0.05 0.18 0.00 0.00 0.00 178.15 178.56 1lmb n LEU 69 N -4.37 1.23 -3.61 1.44 4.77 0.11 -4.96 117.00 111.61 1lmb n LEU 69 Ca 0.09 -0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 1lmb n LEU 69 Cb 0.10 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1lmb n LEU 69 CO 0.39 0.21 -0.05 0.29 -1.33 0.00 0.00 177.39 176.89 1lmb n LYS 70 N -0.12 -3.08 -3.94 3.23 5.02 0.17 -5.02 118.16 114.42 1lmb n LYS 70 Ca 0.18 0.61 -0.18 0.00 -2.02 0.00 0.00 58.31 56.90 1lmb n LYS 70 Cb 0.33 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 1lmb n LYS 70 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1lmb n VAL 71 N -4.04 0.00 -4.06 -0.18 0.24 -0.49 -5.03 118.33 104.77 1lmb n VAL 71 Ca -0.18 -2.04 -0.25 0.00 -2.04 0.00 0.00 64.34 59.83 1lmb n VAL 71 Cb 0.64 0.91 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1lmb n VAL 71 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1lmb s SER 72 N -3.02 5.72 0.31 -1.34 1.04 -1.26 -4.46 113.70 110.69 1lmb s SER 72 Ca 0.28 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.66 1lmb s SER 72 Cb 0.01 -1.54 0.71 0.00 0.10 0.00 0.00 66.02 65.30 1lmb s SER 72 CO 0.19 0.02 1.82 0.58 0.98 0.00 0.00 173.24 176.84 1lmb h VAL 73 N 1.75 0.81 0.00 5.02 2.07 -1.91 -1.62 116.25 122.36 1lmb h VAL 73 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1lmb h VAL 73 Cb 1.21 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1lmb h VAL 73 CO 0.63 0.15 0.00 -1.84 0.02 0.00 0.00 177.57 176.53 1lmb n GLU 74 N -4.66 0.11 0.17 1.57 0.00 -1.26 -0.20 120.64 116.37 1lmb n GLU 74 Ca 0.20 0.52 0.13 0.00 0.00 0.00 0.00 57.16 58.01 1lmb n GLU 74 Cb 0.48 -1.79 0.48 0.00 0.00 0.00 0.00 31.44 30.61 1lmb n GLU 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1lmb h GLU 75 N 0.00 0.00 0.00 3.44 5.08 -1.68 -3.33 114.58 118.08 1lmb h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lmb h GLU 75 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1lmb h GLU 75 CO 0.00 0.00 -0.95 1.97 -1.00 0.00 0.00 179.01 179.03 1lmb n PHE 76 N -2.53 0.00 -3.41 4.33 -1.74 -0.36 -4.90 117.46 108.86 1lmb n PHE 76 Ca 0.03 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.69 1lmb n PHE 76 Cb 0.33 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.23 1lmb n PHE 76 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1lmb s SER 77 N -3.03 2.03 0.35 5.98 0.15 0.73 -4.38 113.70 115.53 1lmb s SER 77 Ca 0.00 -1.85 0.03 0.00 0.70 0.00 0.00 55.95 54.84 1lmb s SER 77 Cb 0.00 0.11 0.66 0.00 -1.71 0.00 0.00 66.02 65.07 1lmb s SER 77 CO 0.00 -0.29 1.97 -0.65 1.20 0.00 0.00 173.24 175.48 1lmb h PRO 78 N 7.07 0.70 -0.53 5.44 0.11 -1.76 -1.82 132.00 141.20 1lmb h PRO 78 Ca 0.05 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 1lmb h PRO 78 Cb 1.02 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1lmb h PRO 78 CO 0.23 0.53 0.01 0.66 -0.21 0.00 0.00 178.00 179.22 1lmb h SER 79 N 0.71 0.91 -0.33 -2.05 4.64 -1.94 -1.52 113.55 113.97 1lmb h SER 79 Ca 0.18 -0.30 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 1lmb h SER 79 Cb 0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1lmb h SER 79 CO -0.03 0.99 -0.22 0.40 -0.87 0.00 0.00 176.83 177.10 1lmb h ILE 80 N 0.80 1.27 -0.93 0.95 2.04 -1.88 -1.57 117.51 118.19 1lmb h ILE 80 Ca 0.15 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.76 1lmb h ILE 80 Cb 0.51 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1lmb h ILE 80 CO 0.02 0.45 0.57 0.00 0.00 0.00 0.00 178.15 179.20 1lmb h ALA 81 N 1.03 1.34 -0.11 1.87 0.00 -1.09 1.00 119.26 123.30 1lmb h ALA 81 Ca 0.10 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1lmb h ALA 81 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1lmb h ALA 81 CO 0.06 0.24 -0.66 -0.09 0.00 0.00 0.00 179.25 178.80 1lmb h ARG 82 N 0.97 0.45 -0.44 0.00 2.43 -0.96 -0.27 114.38 116.56 1lmb h ARG 82 Ca 0.44 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1lmb h ARG 82 Cb 0.34 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1lmb h ARG 82 CO -0.23 0.96 -0.13 1.49 -1.51 0.00 0.00 179.97 180.54 1lmb h GLU 83 N 0.32 0.82 -0.68 0.20 4.81 -0.35 -0.29 114.58 119.42 1lmb h GLU 83 Ca -0.02 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1lmb h GLU 83 Cb 1.22 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1lmb h GLU 83 CO 0.12 0.91 0.16 0.82 -0.73 0.00 0.00 179.01 180.29 1lmb h ILE 84 N 0.73 1.26 -0.55 2.32 2.04 -0.63 -1.82 117.51 120.86 1lmb h ILE 84 Ca 0.12 -0.96 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 1lmb h ILE 84 Cb 0.63 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1lmb h ILE 84 CO 0.04 0.37 0.01 0.22 0.00 0.00 0.00 178.15 178.79 1lmb h TYR 85 N 1.02 1.05 0.00 1.37 3.20 -0.65 -2.06 116.97 120.90 1lmb h TYR 85 Ca 0.21 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1lmb h TYR 85 Cb 0.37 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1lmb h TYR 85 CO 0.03 0.95 -0.32 0.93 -1.64 0.00 0.00 178.16 178.10 1lmb h GLU 86 N 0.85 0.00 -0.21 1.82 5.08 -0.78 -2.00 114.58 119.34 1lmb h GLU 86 Ca 0.16 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1lmb h GLU 86 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1lmb h GLU 86 CO 0.03 0.32 -0.56 0.52 -1.00 0.00 0.00 179.01 178.32 1lmb h MET 87 N 0.00 0.65 -0.38 2.33 2.86 -1.06 -3.01 114.93 116.31 1lmb h MET 87 Ca -0.00 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 1lmb h MET 87 Cb 0.62 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1lmb h MET 87 CO 0.04 1.03 0.12 -0.92 1.06 0.00 0.00 176.91 178.25 1lmb h TYR 88 N 0.49 0.55 0.00 -0.22 3.20 -0.90 -0.60 116.97 119.50 1lmb h TYR 88 Ca 0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1lmb h TYR 88 Cb 1.12 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1lmb h TYR 88 CO 0.05 0.45 -0.02 0.93 -1.64 0.00 0.00 178.16 177.93 1lmb h GLU 89 N 0.54 0.00 -0.00 1.82 5.08 -1.23 -0.99 114.58 119.80 1lmb h GLU 89 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1lmb h GLU 89 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1lmb h GLU 89 CO -0.01 0.02 -0.17 0.00 -1.00 0.00 0.00 179.01 177.85 1lmb n ALA 90 N -2.23 2.81 -0.12 3.43 0.00 -0.23 -3.99 120.51 120.18 1lmb n ALA 90 Ca -0.03 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1lmb n ALA 90 Cb 0.12 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 1lmb n ALA 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1lmb n VAL 91 N -1.31 1.29 0.75 0.00 0.24 -0.57 -5.15 118.33 113.57 1lmb n VAL 91 Ca 0.09 -0.38 0.06 0.00 -2.04 0.00 0.00 64.34 62.07 1lmb n VAL 91 Cb 0.31 -1.63 0.36 0.00 -1.47 0.00 0.00 33.84 31.41 1lmb n VAL 91 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15