#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb n ALA 1 N 0.00 0.00 -0.83 3.17 0.00 -1.26 -5.09 120.51 116.50 2lfb n ALA 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2lfb n ALA 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2lfb n ALA 1 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2lfb n ARG 2 N 0.00 -2.33 -2.04 0.00 1.85 -1.26 -4.85 116.66 108.03 2lfb n ARG 2 Ca 0.00 1.75 -0.38 0.00 -1.00 0.00 0.00 57.85 58.22 2lfb n ARG 2 Cb 0.00 -2.03 0.01 0.00 -1.05 0.00 0.00 32.46 29.39 2lfb n ARG 2 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2lfb s ILE 3 N -3.31 2.62 0.00 8.89 -0.00 -1.26 -4.54 121.20 123.59 2lfb s ILE 3 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 60.65 61.15 2lfb s ILE 3 Cb 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.19 2lfb s ILE 3 CO 0.00 0.03 0.00 -0.67 -0.00 0.00 0.00 174.94 174.30 2lfb n ASP 4 N -0.39 -4.73 -0.28 4.36 -0.08 -1.26 -4.68 116.55 109.49 2lfb n ASP 4 Ca 0.07 0.36 0.05 0.00 -1.51 0.00 0.00 54.79 53.75 2lfb n ASP 4 Cb 0.45 -1.09 0.19 0.00 2.34 0.00 0.00 41.12 43.01 2lfb n ASP 4 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2lfb h PRO 5 N 3.08 0.64 -0.14 -0.67 0.13 -1.89 0.86 132.00 134.01 2lfb h PRO 5 Ca 0.00 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 2lfb h PRO 5 Cb 0.55 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2lfb h PRO 5 CO 0.00 0.42 0.14 1.79 -0.23 0.00 0.00 178.00 180.12 2lfb h THR 6 N 0.66 0.58 0.20 1.56 1.35 -1.98 -3.35 112.91 111.92 2lfb h THR 6 Ca 0.42 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.27 2lfb h THR 6 Cb 0.51 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2lfb h THR 6 CO -0.31 0.00 -0.09 0.50 -0.25 0.00 0.00 175.52 175.36 2lfb h LYS 7 N 0.00 -0.25 -6.09 4.72 1.63 -1.09 -3.41 116.57 112.08 2lfb h LYS 7 Ca 0.07 0.02 -0.60 0.00 -0.85 0.00 0.00 60.65 59.29 2lfb h LYS 7 Cb 0.34 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 31.93 2lfb h LYS 7 CO -0.00 -0.17 0.58 0.21 -3.45 0.00 0.00 179.45 176.62 2lfb s LYS 8 N -3.21 3.74 0.00 1.90 2.47 -1.26 -4.21 119.74 119.17 2lfb s LYS 8 Ca -0.04 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.80 2lfb s LYS 8 Cb 0.00 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.53 2lfb s LYS 8 CO 0.11 -1.03 0.00 0.41 0.16 0.00 0.00 175.35 175.01 2lfb n GLY 9 N 4.57 1.59 5.00 5.54 0.00 -1.26 -5.04 105.19 115.59 2lfb n GLY 9 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2lfb n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2lfb n ARG 10 N 0.00 0.00 -1.65 1.61 0.00 -1.26 -4.76 116.66 110.61 2lfb n ARG 10 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2lfb n ARG 10 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2lfb n ARG 11 N 0.00 1.56 0.00 -0.14 3.00 -1.26 -4.67 116.66 115.15 2lfb n ARG 11 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 2lfb n ARG 11 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.27 2lfb n ARG 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2lfb n ASN 12 N 0.31 0.00 -0.03 6.15 5.15 -1.26 -4.97 115.26 120.61 2lfb n ASN 12 Ca 0.09 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.29 2lfb n ASN 12 Cb 0.40 0.00 0.71 0.00 -0.53 0.00 0.00 39.78 40.35 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2lfb h ARG 13 N 0.00 0.00 -6.24 1.20 -0.00 -1.94 -3.40 114.38 104.00 2lfb h ARG 13 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 59.42 2lfb h ARG 13 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2lfb h ARG 13 CO 0.00 0.00 1.24 0.12 -0.00 0.00 0.00 179.97 181.33 2lfb s PHE 14 N -4.96 1.60 0.16 4.08 5.36 -1.26 -5.00 117.98 117.96 2lfb s PHE 14 Ca -0.05 0.15 -0.11 0.00 -0.96 0.00 0.00 56.93 55.96 2lfb s PHE 14 Cb 0.20 -4.05 -0.07 0.00 -0.34 0.00 0.00 43.02 38.76 2lfb s PHE 14 CO 0.72 -4.23 0.49 -1.59 -1.46 0.00 0.00 175.22 169.15 2lfb s LYS 15 N 4.88 3.82 0.37 10.12 -2.85 -1.26 -5.08 119.74 129.74 2lfb s LYS 15 Ca 0.84 0.27 -0.27 0.00 -1.00 0.00 0.00 55.97 55.82 2lfb s LYS 15 Cb -0.34 -2.84 -0.09 0.00 -2.06 0.00 0.00 37.83 32.50 2lfb s LYS 15 CO 0.35 0.44 1.21 -1.58 0.10 0.00 0.00 175.35 175.87 2lfb s TRP 16 N -1.59 3.09 0.45 1.78 0.52 -1.26 -4.96 118.94 116.97 2lfb s TRP 16 Ca 0.40 1.52 0.03 0.00 0.02 0.00 0.00 56.10 58.07 2lfb s TRP 16 Cb -0.13 -3.49 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 2lfb s TRP 16 CO 0.20 -1.47 0.07 0.20 0.02 0.00 0.00 176.95 175.97 2lfb s GLY 17 N -0.89 2.78 0.76 0.98 0.00 -1.26 -5.07 107.32 104.62 2lfb s GLY 17 Ca 0.54 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 44.23 2lfb s GLY 17 CO 0.44 -1.99 1.08 2.56 0.00 0.00 0.00 173.10 175.19 2lfb s PRO 18 N -3.78 2.39 0.00 2.90 0.04 -1.26 -3.07 135.00 132.22 2lfb s PRO 18 Ca 0.17 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2lfb s PRO 18 Cb 0.02 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2lfb s PRO 18 CO 0.10 -1.49 0.00 0.00 0.04 0.00 0.00 177.00 175.65 2lfb n ALA 19 N -3.40 0.00 -0.26 8.56 0.00 -1.26 -4.39 120.51 119.76 2lfb n ALA 19 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.56 2lfb n ALA 19 Cb 0.54 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.08 2lfb n ALA 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2lfb n SER 20 N 3.07 -0.28 -0.32 0.00 7.64 -1.26 -0.00 113.62 122.47 2lfb n SER 20 Ca 0.00 1.24 0.01 0.00 1.01 0.00 0.00 58.87 61.14 2lfb n SER 20 Cb 0.00 -0.37 0.15 0.00 -1.01 0.00 0.00 64.21 62.98 2lfb n SER 20 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2lfb h GLN 21 N 0.00 0.96 -0.48 1.43 1.08 -1.74 0.10 115.11 116.46 2lfb h GLN 21 Ca 0.34 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2lfb h GLN 21 Cb 0.52 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2lfb h GLN 21 CO -0.74 0.64 0.23 1.96 -0.95 0.00 0.00 178.83 179.97 2lfb h GLN 22 N 0.99 0.44 -0.57 1.46 4.20 -0.78 -0.53 115.11 120.32 2lfb h GLN 22 Ca 0.39 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 2lfb h GLN 22 Cb 0.18 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2lfb h GLN 22 CO -0.18 0.29 0.28 0.82 -0.67 0.00 0.00 178.83 179.37 2lfb h ILE 23 N 0.46 1.21 0.25 2.54 5.03 -0.60 0.19 117.51 126.58 2lfb h ILE 23 Ca 0.21 -0.58 0.01 0.00 -0.12 0.00 0.00 64.86 64.38 2lfb h ILE 23 Cb 0.13 0.53 -0.03 0.00 -3.03 0.00 0.00 36.82 34.43 2lfb h ILE 23 CO -0.16 0.23 -0.31 -0.07 -0.68 0.00 0.00 178.15 177.16 2lfb h LEU 24 N 0.77 -0.86 -0.39 1.44 3.38 -0.12 0.10 115.31 119.64 2lfb h LEU 24 Ca 0.20 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.32 2lfb h LEU 24 Cb 0.11 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2lfb h LEU 24 CO -0.03 -0.43 -0.04 -0.26 0.09 0.00 0.00 178.44 177.77 2lfb h PHE 25 N -0.62 -0.11 -0.17 1.13 0.04 -0.88 -1.59 116.94 114.75 2lfb h PHE 25 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2lfb h PHE 25 Cb 0.59 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2lfb h PHE 25 CO -0.22 -0.12 0.10 -0.56 -0.60 0.00 0.00 178.31 176.91 2lfb h GLN 26 N 0.05 0.23 -0.82 1.51 3.07 -0.13 -1.28 115.11 117.75 2lfb h GLN 26 Ca 0.19 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.95 2lfb h GLN 26 Cb 0.28 -0.05 -0.05 0.00 0.08 0.00 0.00 27.48 27.74 2lfb h GLN 26 CO -0.35 0.22 0.52 0.00 0.09 0.00 0.00 178.83 179.30 2lfb h ALA 27 N 1.00 1.10 0.00 0.06 0.00 -0.58 0.31 119.26 121.15 2lfb h ALA 27 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2lfb h ALA 27 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2lfb h ALA 27 CO -0.01 0.30 0.00 -0.92 0.00 0.00 0.00 179.25 178.62 2lfb h TYR 28 N 0.98 0.00 0.09 0.00 3.20 -0.63 0.76 116.97 121.37 2lfb h TYR 28 Ca 0.34 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 2lfb h TYR 28 Cb 0.09 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.37 2lfb h TYR 28 CO -0.03 0.00 -0.54 1.49 -1.64 0.00 0.00 178.16 177.44 2lfb h GLU 29 N 0.00 0.20 -0.02 1.82 4.81 0.61 -3.39 114.58 118.61 2lfb h GLU 29 Ca 0.00 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2lfb h GLU 29 Cb 0.25 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2lfb h GLU 29 CO 0.00 1.16 -0.07 0.00 -0.73 0.00 0.00 179.01 179.37 2lfb h ARG 30 N -0.59 0.07 -3.13 1.92 2.47 0.15 -3.41 114.38 111.87 2lfb h ARG 30 Ca -0.09 -0.06 -0.38 0.00 -1.26 0.00 0.00 59.98 58.19 2lfb h ARG 30 Cb 1.43 0.01 -0.39 0.00 -1.65 0.00 0.00 29.97 29.37 2lfb h ARG 30 CO 0.10 0.71 -0.71 -1.14 0.56 0.00 0.00 179.97 179.49 2lfb s GLN 31 N -3.60 0.00 0.12 0.04 0.74 -0.18 -5.01 119.66 111.77 2lfb s GLN 31 Ca -0.16 0.27 -0.16 0.00 0.05 0.00 0.00 55.36 55.36 2lfb s GLN 31 Cb 0.01 -0.90 -0.02 0.00 1.10 0.00 0.00 33.01 33.20 2lfb s GLN 31 CO 0.70 -0.45 1.62 0.87 -0.55 0.00 0.00 175.29 177.48 2lfb h LYS 32 N 8.41 0.61 -6.55 1.67 1.79 -1.77 -3.39 116.57 117.34 2lfb h LYS 32 Ca -0.13 -0.15 -0.52 0.00 -2.18 0.00 0.00 60.65 57.66 2lfb h LYS 32 Cb 1.13 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2lfb h LYS 32 CO 0.20 0.65 0.40 -0.80 -1.08 0.00 0.00 179.45 178.82 2lfb s ASN 33 N -5.98 7.39 -1.30 0.86 0.01 -1.26 -4.94 114.94 109.71 2lfb s ASN 33 Ca -0.13 1.85 -0.17 0.00 -0.71 0.00 0.00 52.86 53.70 2lfb s ASN 33 Cb 0.10 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.17 2lfb s ASN 33 CO 0.76 -0.17 2.08 -0.81 -1.51 0.00 0.00 177.10 177.45 2lfb n PRO 34 N 3.03 2.60 0.00 -0.60 -0.04 -1.26 -4.81 135.00 133.92 2lfb n PRO 34 Ca 0.04 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 2lfb n PRO 34 Cb 0.49 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2lfb n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2lfb n SER 35 N 7.09 0.00 0.00 3.54 2.88 -1.26 -5.02 113.62 120.85 2lfb n SER 35 Ca 0.51 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 2lfb n SER 35 Cb 0.41 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2lfb n SER 35 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2lfb n LYS 36 N -0.70 0.00 -0.36 -1.46 2.85 -1.26 -4.96 118.16 112.28 2lfb n LYS 36 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 2lfb n LYS 36 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2lfb n LYS 36 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2lfb n GLU 37 N -0.59 -0.29 -0.25 -1.58 2.13 -1.26 -0.04 120.64 118.76 2lfb n GLU 37 Ca 0.00 1.36 0.04 0.00 0.66 0.00 0.00 57.16 59.22 2lfb n GLU 37 Cb 0.00 -2.01 0.10 0.00 0.27 0.00 0.00 31.44 29.81 2lfb n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2lfb n GLU 38 N -5.22 -0.06 -0.04 5.31 0.00 -1.26 -0.53 120.64 118.83 2lfb n GLU 38 Ca 0.06 1.10 -0.15 0.00 0.00 0.00 0.00 57.16 58.16 2lfb n GLU 38 Cb 0.30 -1.64 -0.08 0.00 0.00 0.00 0.00 31.44 30.02 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2lfb h ARG 39 N 0.00 0.48 0.07 5.31 2.43 -0.83 0.16 114.38 122.01 2lfb h ARG 39 Ca 0.34 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2lfb h ARG 39 Cb 0.53 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2lfb h ARG 39 CO -0.72 0.97 -0.08 0.93 -1.51 0.00 0.00 179.97 179.56 2lfb h GLU 40 N 0.07 -0.17 -0.65 0.20 5.08 -0.99 -0.19 114.58 117.94 2lfb h GLU 40 Ca -0.01 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2lfb h GLU 40 Cb 1.01 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.20 2lfb h GLU 40 CO 0.08 -0.11 -0.50 1.15 -1.00 0.00 0.00 179.01 178.63 2lfb h THR 41 N -0.17 0.04 0.06 1.13 2.02 -0.78 0.30 112.91 115.50 2lfb h THR 41 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2lfb h THR 41 Cb 0.17 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 2lfb h THR 41 CO -0.03 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.42 2lfb h LEU 42 N -0.21 -1.09 -0.86 2.58 3.38 0.24 0.23 115.31 119.58 2lfb h LEU 42 Ca 0.16 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2lfb h LEU 42 Cb 0.54 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2lfb h LEU 42 CO -0.74 -0.43 0.38 0.58 0.09 0.00 0.00 178.44 178.32 2lfb h VAL 43 N -0.56 1.26 0.85 1.22 2.07 -0.71 0.29 116.25 120.67 2lfb h VAL 43 Ca 0.04 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2lfb h VAL 43 Cb 0.62 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2lfb h VAL 43 CO -0.25 0.32 -0.41 -0.08 0.02 0.00 0.00 177.57 177.17 2lfb h GLU 44 N 1.19 -1.10 -0.62 1.57 4.57 -0.20 0.10 114.58 120.10 2lfb h GLU 44 Ca 0.28 0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.62 2lfb h GLU 44 Cb 0.15 0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.92 2lfb h GLU 44 CO -0.03 -0.73 0.28 0.93 -1.18 0.00 0.00 179.01 178.28 2lfb h GLU 45 N -1.18 0.49 -0.33 1.92 5.08 -0.50 0.75 114.58 120.81 2lfb h GLU 45 Ca -0.12 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2lfb h GLU 45 Cb 0.87 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2lfb h GLU 45 CO 0.19 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 2lfb h ASN 47 N 0.39 -1.39 -0.26 0.00 2.35 0.11 0.11 115.58 116.89 2lfb h ASN 47 Ca 0.09 0.17 0.06 0.00 -0.55 0.00 0.00 56.30 56.08 2lfb h ASN 47 Cb 0.44 0.55 -0.07 0.00 0.05 0.00 0.00 38.32 39.30 2lfb h ASN 47 CO 0.02 -0.46 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.04 2lfb h ARG 48 N -0.55 -0.20 -0.71 0.81 2.43 -0.74 0.13 114.38 115.55 2lfb h ARG 48 Ca 0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2lfb h ARG 48 Cb 0.66 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 2lfb h ARG 48 CO -0.38 -0.13 0.45 0.00 -1.51 0.00 0.00 179.97 178.40 2lfb h ALA 49 N 0.90 0.93 0.00 2.80 0.00 -0.58 -0.65 119.26 122.67 2lfb h ALA 49 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2lfb h ALA 49 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2lfb h ALA 49 CO -0.38 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.50 2lfb n GLU 50 N -4.65 0.22 -0.26 0.00 -0.58 0.35 -0.41 120.64 115.31 2lfb n GLU 50 Ca 0.08 0.40 -0.07 0.00 -0.42 0.00 0.00 57.16 57.15 2lfb n GLU 50 Cb 0.08 -1.89 0.05 0.00 -0.57 0.00 0.00 31.44 29.11 2lfb n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2lfb h ILE 52 N 1.03 1.23 -0.82 0.00 2.04 -0.45 0.71 117.51 121.26 2lfb h ILE 52 Ca 0.23 -0.85 0.24 0.00 1.00 0.00 0.00 64.86 65.48 2lfb h ILE 52 Cb 0.25 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2lfb h ILE 52 CO -0.01 0.31 0.74 1.56 0.00 0.00 0.00 178.15 180.74 2lfb h GLN 53 N 0.76 0.00 0.00 2.37 7.50 -1.59 -3.11 115.11 121.04 2lfb h GLN 53 Ca 0.16 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.31 2lfb h GLN 53 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2lfb h GLN 53 CO 0.00 0.00 0.00 0.54 -1.50 0.00 0.00 178.83 177.87 2lfb n ARG 54 N -3.81 0.00 0.00 1.46 5.12 0.29 -5.03 116.66 114.69 2lfb n ARG 54 Ca 0.17 -0.36 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 2lfb n ARG 54 Cb 1.02 -0.49 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2lfb n GLY 55 N 0.00 0.54 1.33 -0.13 0.00 0.22 -4.92 105.19 102.23 2lfb n GLY 55 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2lfb n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2lfb n VAL 56 N 0.00 -0.59 -2.52 1.61 0.31 -1.24 -4.50 118.33 111.41 2lfb n VAL 56 Ca 0.00 0.74 -0.42 0.00 -0.01 0.00 0.00 64.34 64.65 2lfb n VAL 56 Cb 0.00 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 2lfb n VAL 56 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2lfb s SER 57 N -7.02 7.10 0.31 4.52 0.01 -1.26 -4.93 113.70 112.43 2lfb s SER 57 Ca 0.00 1.74 0.01 0.00 1.31 0.00 0.00 55.95 59.02 2lfb s SER 57 Cb 0.00 -2.56 0.56 0.00 0.21 0.00 0.00 66.02 64.23 2lfb s SER 57 CO 0.00 -0.55 1.91 1.55 0.41 0.00 0.00 173.24 176.57 2lfb h PRO 58 N 7.35 0.96 0.00 12.44 0.13 -2.00 0.13 132.00 151.00 2lfb h PRO 58 Ca -0.33 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2lfb h PRO 58 Cb 1.16 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2lfb h PRO 58 CO 0.87 0.64 0.00 -1.13 -0.23 0.00 0.00 178.00 178.15 2lfb n SER 59 N -4.50 0.00 -2.98 1.44 3.41 -1.26 -3.41 113.62 106.33 2lfb n SER 59 Ca 0.14 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.75 2lfb n SER 59 Cb 0.22 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2lfb n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2lfb n GLN 60 N -1.04 1.94 0.21 4.33 3.00 0.44 -4.78 117.38 121.49 2lfb n GLN 60 Ca 0.20 -3.94 0.07 0.00 -0.01 0.00 0.00 57.00 53.32 2lfb n GLN 60 Cb 0.12 -1.87 0.46 0.00 0.00 0.00 0.00 30.24 28.94 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2lfb h ALA 61 N 2.96 1.17 0.00 -1.58 0.00 -1.57 -1.47 119.26 118.77 2lfb h ALA 61 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2lfb h ALA 61 Cb 0.84 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2lfb h ALA 61 CO 0.63 0.37 -0.00 0.37 0.00 0.00 0.00 179.25 180.62 2lfb h GLN 62 N 0.00 0.00 -1.07 0.00 -0.00 -1.90 -1.56 115.11 110.58 2lfb h GLN 62 Ca -0.00 0.00 0.31 0.00 -0.00 0.00 0.00 58.65 58.96 2lfb h GLN 62 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 27.48 28.03 2lfb h GLN 62 CO 0.04 0.00 0.66 0.78 0.00 0.00 0.00 178.83 180.30 2lfb h GLY 63 N 0.00 1.63 -0.58 2.39 0.00 -1.63 -2.32 103.07 102.56 2lfb h GLY 63 Ca -0.00 -0.22 0.19 0.00 0.00 0.00 0.00 47.33 47.30 2lfb h GLY 63 CO 0.00 -0.31 0.13 1.04 0.00 0.00 0.00 176.54 177.40 2lfb n LEU 64 N -4.82 0.04 0.00 3.11 4.32 -0.59 -4.70 117.00 114.37 2lfb n LEU 64 Ca 0.30 0.98 0.00 0.00 -0.02 0.00 0.00 56.01 57.27 2lfb n LEU 64 Cb 0.98 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2lfb n LEU 64 CO 0.18 -1.03 0.00 0.61 -1.22 0.00 0.00 177.39 175.93 2lfb n GLY 65 N -1.24 0.23 0.24 -0.72 0.00 -0.87 -0.97 105.19 101.86 2lfb n GLY 65 Ca 0.17 0.67 0.05 0.00 0.00 0.00 0.00 46.02 46.91 2lfb n GLY 65 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2lfb h SER 66 N 0.00 0.09 0.79 1.61 0.87 -1.92 -1.33 113.55 113.66 2lfb h SER 66 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2lfb h SER 66 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2lfb h SER 66 CO 0.00 0.21 -0.47 0.59 -0.53 0.00 0.00 176.83 176.63 2lfb n ASN 67 N -4.36 0.56 -4.69 6.23 3.02 -0.14 -4.02 115.26 111.85 2lfb n ASN 67 Ca -0.02 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2lfb n ASN 67 Cb 0.21 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2lfb s LEU 68 N -3.67 4.36 -0.10 3.41 2.96 -0.50 -4.92 118.68 120.21 2lfb s LEU 68 Ca 0.09 2.42 -0.29 0.00 -0.22 0.00 0.00 54.13 56.13 2lfb s LEU 68 Cb 0.15 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.22 2lfb s LEU 68 CO 0.68 -0.85 1.96 0.54 -1.32 0.00 0.00 176.35 177.37 2lfb s VAL 69 N 2.44 3.18 0.07 1.68 0.11 -1.26 -4.86 120.40 121.76 2lfb s VAL 69 Ca 0.72 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 60.02 2lfb s VAL 69 Cb -0.38 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2lfb s VAL 69 CO 0.31 -0.06 -0.05 0.42 -3.33 0.00 0.00 175.10 172.39 2lfb s THR 70 N 5.78 3.74 0.21 5.04 -4.23 -1.26 -4.89 115.64 120.02 2lfb s THR 70 Ca 0.88 -1.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.24 2lfb s THR 70 Cb -0.36 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 70.96 2lfb s THR 70 CO 0.36 0.19 1.64 -0.33 -0.54 0.00 0.00 174.62 175.94 2lfb h GLU 71 N 3.76 0.03 -0.79 3.99 3.07 -1.96 0.57 114.58 123.26 2lfb h GLU 71 Ca -0.48 -0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.55 2lfb h GLU 71 Cb 1.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.02 2lfb h GLU 71 CO 0.56 0.02 0.53 -0.24 -1.40 0.00 0.00 179.01 178.48 2lfb h VAL 72 N 0.04 0.73 -0.17 3.13 3.04 -1.98 0.27 116.25 121.30 2lfb h VAL 72 Ca 0.30 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.81 2lfb h VAL 72 Cb 0.47 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2lfb h VAL 72 CO -0.59 0.06 -0.16 -0.09 -1.01 0.00 0.00 177.57 175.78 2lfb h ARG 73 N 0.33 0.41 -0.43 4.17 9.65 -1.29 -0.16 114.38 127.06 2lfb h ARG 73 Ca 0.39 -0.21 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 2lfb h ARG 73 Cb 1.04 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 2lfb h ARG 73 CO -0.11 0.77 0.22 0.28 2.80 0.00 0.00 179.97 183.92 2lfb h VAL 74 N 0.06 0.98 -0.29 0.20 2.07 -0.62 0.20 116.25 118.86 2lfb h VAL 74 Ca 0.03 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2lfb h VAL 74 Cb 0.69 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2lfb h VAL 74 CO 0.04 0.08 -0.13 0.22 0.02 0.00 0.00 177.57 177.80 2lfb h TYR 75 N 0.44 -0.32 -0.70 1.57 5.03 -0.51 0.82 116.97 123.30 2lfb h TYR 75 Ca 0.18 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.53 2lfb h TYR 75 Cb 0.08 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.52 2lfb h TYR 75 CO -0.10 -0.20 0.44 -0.91 -1.32 0.00 0.00 178.16 176.07 2lfb h ASN 76 N -0.09 0.83 0.91 -2.11 2.35 -0.38 0.21 115.58 117.29 2lfb h ASN 76 Ca 0.15 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2lfb h ASN 76 Cb 0.32 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2lfb h ASN 76 CO -0.35 0.63 -0.44 -0.25 -1.65 0.00 0.00 177.43 175.37 2lfb h TRP 77 N 0.96 -1.13 -0.81 1.19 2.91 0.37 -0.84 115.95 118.59 2lfb h TRP 77 Ca 0.25 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.25 2lfb h TRP 77 Cb -0.07 0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 2lfb h TRP 77 CO -0.02 -0.70 0.53 0.74 -1.03 0.00 0.00 178.44 177.96 2lfb h PHE 78 N -1.25 1.02 -0.34 2.65 0.04 -0.83 0.10 116.94 118.33 2lfb h PHE 78 Ca -0.12 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.77 2lfb h PHE 78 Cb 0.94 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2lfb h PHE 78 CO -0.01 0.65 0.28 0.00 -0.60 0.00 0.00 178.31 178.64 2lfb h ALA 79 N 1.29 2.19 0.08 2.45 0.00 -0.45 0.10 119.26 124.93 2lfb h ALA 79 Ca 0.30 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 2lfb h ALA 79 Cb -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2lfb h ALA 79 CO -0.06 -0.46 -1.65 -0.97 0.00 0.00 0.00 179.25 176.10 2lfb h ASN 80 N 0.00 0.27 -0.64 0.00 -1.24 0.54 -3.34 115.58 111.18 2lfb h ASN 80 Ca 0.16 -0.79 0.12 0.00 0.71 0.00 0.00 56.30 56.51 2lfb h ASN 80 Cb 0.73 -0.09 -0.12 0.00 0.73 0.00 0.00 38.32 39.57 2lfb h ASN 80 CO -0.00 1.70 -0.24 0.03 -1.29 0.00 0.00 177.43 177.62 2lfb h ARG 81 N -0.35 -0.07 -0.74 6.67 2.47 -0.51 0.10 114.38 121.95 2lfb h ARG 81 Ca -0.38 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.44 2lfb h ARG 81 Cb 1.75 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.98 2lfb h ARG 81 CO -0.02 -0.05 -0.37 0.54 0.56 0.00 0.00 179.97 180.64 2lfb n ARG 82 N -5.45 -0.26 -0.00 0.04 5.12 0.31 0.02 116.66 116.45 2lfb n ARG 82 Ca 0.07 1.13 -0.17 0.00 -1.93 0.00 0.00 57.85 56.94 2lfb n ARG 82 Cb 0.36 -1.67 -0.10 0.00 -1.16 0.00 0.00 32.46 29.88 2lfb n ARG 82 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2lfb h LYS 83 N 0.00 0.48 -0.96 5.56 1.63 -0.98 0.18 116.57 122.48 2lfb h LYS 83 Ca 0.18 -0.47 0.18 0.00 -0.85 0.00 0.00 60.65 59.69 2lfb h LYS 83 Cb 0.37 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.04 2lfb h LYS 83 CO -0.72 1.12 0.61 1.49 -3.45 0.00 0.00 179.45 178.50 2lfb h GLU 84 N 0.02 0.65 0.01 1.90 4.81 -0.39 0.22 114.58 121.79 2lfb h GLU 84 Ca -0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2lfb h GLU 84 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2lfb h GLU 84 CO 0.13 0.43 -0.01 1.49 -0.73 0.00 0.00 179.01 180.32 2lfb h GLU 85 N 0.67 -0.01 -0.28 1.92 4.81 -0.05 -3.17 114.58 118.47 2lfb h GLU 85 Ca 0.52 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.83 2lfb h GLU 85 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2lfb h GLU 85 CO -0.28 0.71 0.23 0.00 -0.73 0.00 0.00 179.01 178.95 2lfb h ALA 86 N 0.20 2.13 0.05 2.92 0.00 -0.23 -2.41 119.26 121.92 2lfb h ALA 86 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2lfb h ALA 86 Cb 0.73 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2lfb h ALA 86 CO 0.00 -0.38 -0.46 0.74 0.00 0.00 0.00 179.25 179.16 2lfb h PHE 87 N 0.00 -1.33 -0.22 0.00 -1.00 -0.55 0.12 116.94 113.96 2lfb h PHE 87 Ca 0.13 0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.97 2lfb h PHE 87 Cb 0.60 0.57 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 2lfb h PHE 87 CO 0.00 -0.50 0.15 -0.09 -1.61 0.00 0.00 178.31 176.26 2lfb h ARG 88 N -0.61 0.23 -0.48 1.51 9.65 -1.57 0.68 114.38 123.80 2lfb h ARG 88 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2lfb h ARG 88 Cb 0.63 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 2lfb h ARG 88 CO -0.28 0.15 0.26 1.25 2.80 0.00 0.00 179.97 184.15 2lfb h HIS 89 N 0.24 0.65 0.09 2.20 2.76 -1.02 -2.76 115.15 117.30 2lfb h HIS 89 Ca 0.09 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2lfb h HIS 89 Cb 0.06 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2lfb h HIS 89 CO -0.00 0.49 -0.04 1.57 -1.30 0.00 0.00 177.93 178.65 2lfb h LYS 90 N 0.63 -0.11 0.00 5.26 2.10 -0.01 -3.43 116.57 121.01 2lfb h LYS 90 Ca 0.17 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2lfb h LYS 90 Cb 0.05 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2lfb h LYS 90 CO -0.03 0.24 0.00 1.28 -2.00 0.00 0.00 179.45 178.94 2lfb n LEU 91 N -4.82 1.59 -1.99 7.07 7.99 0.16 -4.89 117.00 122.12 2lfb n LEU 91 Ca -0.05 0.25 -0.13 0.00 -0.01 0.00 0.00 56.01 56.07 2lfb n LEU 91 Cb 0.20 -0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.45 2lfb n LEU 91 CO 0.16 -0.03 -0.15 0.00 -1.51 0.00 0.00 177.39 175.86 2lfb n ALA 92 N -0.58 -0.53 -1.98 -1.18 0.00 -1.04 -4.64 120.51 110.56 2lfb n ALA 92 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2lfb n ALA 92 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2lfb n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2lfb n MET 93 N -2.41 0.00 -1.50 0.00 0.00 -1.26 -5.01 117.12 106.94 2lfb n MET 93 Ca -0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 57.70 57.26 2lfb n MET 93 Cb 0.53 -0.01 -0.06 0.00 0.00 0.00 0.00 33.22 33.68 2lfb n MET 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2lfb n ASP 94 N 0.00 6.70 0.00 3.17 5.75 -1.26 -4.88 116.55 126.03 2lfb n ASP 94 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 2lfb n ASP 94 Cb 0.50 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 2lfb n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2lfb n THR 95 N 1.47 0.00 -1.70 2.12 -1.04 -1.26 -4.79 114.28 109.08 2lfb n THR 95 Ca 0.52 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.23 2lfb n THR 95 Cb 0.54 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.24 2lfb n THR 95 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2lfb s TYR 96 N 0.00 1.38 0.12 -1.42 2.02 -1.26 -4.98 117.35 113.21 2lfb s TYR 96 Ca 0.00 0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 56.82 2lfb s TYR 96 Cb 0.00 -3.91 -0.07 0.00 -0.40 0.00 0.00 41.96 37.59 2lfb s TYR 96 CO 0.00 -2.93 1.63 1.57 -1.57 0.00 0.00 175.55 174.24 2lfb h LYS 97 N -1.86 -0.46 -6.49 -0.62 5.09 -2.03 -3.48 116.57 106.73 2lfb h LYS 97 Ca -0.45 0.03 -0.36 0.00 0.09 0.00 0.00 60.65 59.97 2lfb h LYS 97 Cb 1.26 0.10 -0.00 0.00 0.10 0.00 0.00 32.23 33.69 2lfb h LYS 97 CO 0.39 -0.31 -0.73 -0.11 -2.09 0.00 0.00 179.45 176.60 2lfb n LEU 98 N -5.40 -0.83 0.00 7.07 7.94 -1.26 -4.92 117.00 119.59 2lfb n LEU 98 Ca -0.06 -0.73 0.00 0.00 -1.11 0.00 0.00 56.01 54.11 2lfb n LEU 98 Cb 0.31 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.20 2lfb n LEU 98 CO 0.22 0.37 0.00 -0.46 -1.11 0.00 0.00 177.39 176.41