#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 -2.85 3.17 0.00 -1.26 -1.65 120.51 117.92 2lfb n ALA 1 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2lfb n ALA 1 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 1.08 -1.71 0.00 0.00 -1.26 -5.12 116.66 109.65 2lfb n ARG 2 Ca 0.00 -3.04 -0.35 0.00 -0.00 0.00 0.00 57.85 54.46 2lfb n ARG 2 Cb 0.00 -1.25 0.06 0.00 -0.00 0.00 0.00 32.46 31.27 2lfb n ARG 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2lfb s ILE 3 N -2.28 2.49 0.08 8.89 -4.36 -0.66 -4.95 121.20 120.41 2lfb s ILE 3 Ca 0.30 0.27 -0.31 0.00 -0.26 0.00 0.00 60.65 60.65 2lfb s ILE 3 Cb 0.40 -2.95 -0.07 0.00 1.25 0.00 0.00 42.46 41.10 2lfb s ILE 3 CO -0.02 -0.10 1.37 -0.62 0.24 0.00 0.00 174.94 175.81 2lfb s ASP 4 N -1.86 6.86 -0.58 4.36 2.15 -1.26 -4.91 116.67 121.43 2lfb s ASP 4 Ca 0.76 2.24 -0.04 0.00 0.43 0.00 0.00 52.55 55.94 2lfb s ASP 4 Cb -0.30 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.68 2lfb s ASP 4 CO 0.40 -0.65 1.96 -0.81 -0.17 0.00 0.00 175.17 175.90 2lfb n PRO 5 N 4.29 1.57 -1.84 4.34 -0.04 -1.26 -4.01 135.00 138.04 2lfb n PRO 5 Ca 0.12 -1.10 -0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2lfb n PRO 5 Cb 0.43 -2.22 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 2lfb n PRO 5 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2lfb n THR 6 N 3.92 0.29 -0.28 0.52 -1.04 -1.26 -4.75 114.28 111.67 2lfb n THR 6 Ca 0.33 -1.21 -0.06 0.00 -2.04 0.00 0.00 64.05 61.07 2lfb n THR 6 Cb 0.20 0.96 0.06 0.00 -1.82 0.00 0.00 70.33 69.72 2lfb n THR 6 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2lfb h LYS 7 N 1.14 1.18 -2.32 -2.82 6.56 -1.91 -3.20 116.57 115.20 2lfb h LYS 7 Ca -0.32 -0.24 -0.75 0.00 -1.06 0.00 0.00 60.65 58.29 2lfb h LYS 7 Cb 1.57 -0.18 -0.31 0.00 -0.57 0.00 0.00 32.23 32.73 2lfb h LYS 7 CO -0.01 0.98 0.53 0.36 -2.06 0.00 0.00 179.45 179.26 2lfb n LYS 8 N -4.26 4.69 -4.13 3.15 2.85 -1.26 -4.78 118.16 114.42 2lfb n LYS 8 Ca 0.07 -4.71 -0.35 0.00 -1.05 0.00 0.00 58.31 52.27 2lfb n LYS 8 Cb 0.21 -2.41 -0.04 0.00 -0.65 0.00 0.00 35.03 32.14 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2lfb n GLY 9 N 0.07 -0.44 5.42 2.58 0.00 -1.21 -3.32 105.19 108.29 2lfb n GLY 9 Ca 0.40 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2lfb n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2lfb n ARG 10 N -4.09 0.00 -2.56 1.61 1.85 -1.23 -4.71 116.66 107.54 2lfb n ARG 10 Ca 0.08 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.55 2lfb n ARG 10 Cb 0.48 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.85 2lfb n ARG 10 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2lfb s ARG 11 N 0.00 4.40 0.00 2.89 3.52 -1.21 -4.88 118.95 123.67 2lfb s ARG 11 Ca 0.00 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 2lfb s ARG 11 Cb 0.00 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 2lfb s ARG 11 CO 0.00 0.05 0.00 -1.71 -0.81 0.00 0.00 175.30 172.83 2lfb n ASN 12 N 0.49 0.00 -0.17 -2.12 5.15 -1.26 -4.90 115.26 112.45 2lfb n ASN 12 Ca 0.02 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.93 2lfb n ASN 12 Cb 0.48 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.69 -7.09 1.20 0.11 -1.95 -3.42 114.38 103.92 2lfb h ARG 13 Ca 0.00 -0.06 -0.50 0.00 0.10 0.00 0.00 59.98 59.52 2lfb h ARG 13 Cb 0.00 -0.15 0.07 0.00 1.11 0.00 0.00 29.97 31.00 2lfb h ARG 13 CO 0.00 0.50 0.42 0.12 0.10 0.00 0.00 179.97 181.11 2lfb s PHE 14 N -6.00 2.72 -0.30 4.08 5.36 -1.26 -5.05 117.98 117.54 2lfb s PHE 14 Ca -0.13 1.55 -0.06 0.00 -0.96 0.00 0.00 56.93 57.33 2lfb s PHE 14 Cb 0.12 -3.25 0.16 0.00 -0.34 0.00 0.00 43.02 39.71 2lfb s PHE 14 CO 0.75 -1.46 0.64 -1.59 -1.46 0.00 0.00 175.22 172.10 2lfb s LYS 15 N -3.29 0.56 0.38 10.12 -2.85 -1.26 -5.09 119.74 118.32 2lfb s LYS 15 Ca 0.72 1.21 -0.28 0.00 -1.00 0.00 0.00 55.97 56.61 2lfb s LYS 15 Cb -0.23 0.70 -0.11 0.00 -2.06 0.00 0.00 37.83 36.14 2lfb s LYS 15 CO 0.26 -0.40 1.49 0.91 0.10 0.00 0.00 175.35 177.71 2lfb n TRP 16 N 5.43 3.00 -0.42 1.78 7.02 -1.26 -4.97 117.44 128.03 2lfb n TRP 16 Ca -0.06 0.44 -0.29 0.00 -1.02 0.00 0.00 57.50 56.57 2lfb n TRP 16 Cb 0.50 -2.53 0.27 0.00 -2.42 0.00 0.00 31.31 27.13 2lfb n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2lfb n GLY 17 N 0.45 -3.67 0.10 6.99 0.00 -1.26 -4.70 105.19 103.10 2lfb n GLY 17 Ca 0.01 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 2lfb n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2lfb h PRO 18 N 0.00 0.22 0.62 1.61 0.13 -1.98 -0.08 132.00 132.51 2lfb h PRO 18 Ca -0.38 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 2lfb h PRO 18 Cb 1.26 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2lfb h PRO 18 CO 0.24 0.99 -0.36 0.00 -0.23 0.00 0.00 178.00 178.64 2lfb h ALA 19 N 0.24 -0.93 -0.72 -0.56 0.00 -1.99 -1.25 119.26 114.05 2lfb h ALA 19 Ca -0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2lfb h ALA 19 Cb 1.12 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2lfb h ALA 19 CO 0.07 -1.03 -0.42 0.43 0.00 0.00 0.00 179.25 178.29 2lfb n SER 20 N -5.50 -0.76 -0.17 0.00 7.64 -1.25 -0.93 113.62 112.65 2lfb n SER 20 Ca -0.13 1.28 -0.04 0.00 1.01 0.00 0.00 58.87 60.99 2lfb n SER 20 Cb 0.39 -0.17 0.06 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.51 -0.02 1.43 4.20 -0.32 0.27 115.11 121.18 2lfb h GLN 21 Ca 0.12 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2lfb h GLN 21 Cb 0.30 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 2lfb h GLN 21 CO -0.68 0.34 -0.48 0.37 -0.67 0.00 0.00 178.83 177.71 2lfb h GLN 22 N 0.53 -0.59 -0.66 1.46 5.75 -0.06 -2.20 115.11 119.33 2lfb h GLN 22 Ca 0.23 0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.88 2lfb h GLN 22 Cb 0.13 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.74 2lfb h GLN 22 CO -0.16 -0.39 0.26 0.82 -2.65 0.00 0.00 178.83 176.72 2lfb h ILE 23 N -0.61 0.75 -0.37 2.39 2.04 0.15 0.27 117.51 122.13 2lfb h ILE 23 Ca 0.04 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.80 2lfb h ILE 23 Cb 0.69 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2lfb h ILE 23 CO -0.35 0.08 0.03 -0.07 0.00 0.00 0.00 178.15 177.84 2lfb h LEU 24 N 0.45 -0.07 -0.90 1.44 3.38 -0.26 0.20 115.31 119.54 2lfb h LEU 24 Ca 0.34 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 2lfb h LEU 24 Cb 0.44 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2lfb h LEU 24 CO -0.33 -0.00 -0.22 -0.26 0.09 0.00 0.00 178.44 177.72 2lfb h PHE 25 N 0.14 0.62 0.00 1.13 -1.00 -0.55 0.31 116.94 117.58 2lfb h PHE 25 Ca 0.18 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2lfb h PHE 25 Cb 0.23 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 2lfb h PHE 25 CO -0.22 0.74 -0.06 -0.56 -1.61 0.00 0.00 178.31 176.59 2lfb h GLN 26 N 0.49 0.00 0.05 1.51 3.07 0.15 0.11 115.11 120.49 2lfb h GLN 26 Ca 0.08 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.48 2lfb h GLN 26 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.18 2lfb h GLN 26 CO 0.05 0.06 -1.86 0.00 0.09 0.00 0.00 178.83 177.17 2lfb n ALA 27 N -2.17 0.95 0.28 0.06 0.00 -0.61 -4.34 120.51 114.68 2lfb n ALA 27 Ca -0.01 -0.67 0.18 0.00 0.00 0.00 0.00 53.44 52.94 2lfb n ALA 27 Cb 0.24 -0.48 0.93 0.00 0.00 0.00 0.00 19.45 20.13 2lfb n ALA 27 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2lfb h TYR 28 N -0.43 0.00 0.09 0.00 3.20 0.01 0.34 116.97 120.18 2lfb h TYR 28 Ca -0.45 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.44 2lfb h TYR 28 Cb 1.72 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.94 2lfb h TYR 28 CO 0.06 0.00 -0.46 1.49 -1.64 0.00 0.00 178.16 177.61 2lfb h GLU 29 N 0.00 -0.65 0.00 1.82 4.81 -1.02 -3.42 114.58 116.12 2lfb h GLU 29 Ca 0.04 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2lfb h GLU 29 Cb 0.44 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2lfb h GLU 29 CO -0.00 -0.43 0.00 2.89 -0.73 0.00 0.00 179.01 180.74 2lfb n ARG 30 N -5.47 0.00 -2.51 1.92 1.85 0.11 -4.74 116.66 107.82 2lfb n ARG 30 Ca -0.07 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.35 2lfb n ARG 30 Cb 0.39 -0.07 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 2lfb n ARG 30 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2lfb n GLN 31 N -1.62 3.66 0.00 2.89 7.27 -0.97 -4.81 117.38 123.81 2lfb n GLN 31 Ca 0.00 -3.68 0.04 0.00 0.07 0.00 0.00 57.00 53.42 2lfb n GLN 31 Cb 0.00 -2.90 0.24 0.00 2.41 0.00 0.00 30.24 29.99 2lfb n GLN 31 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2lfb n LYS 32 N 3.91 0.47 -4.22 3.69 4.81 -1.26 -4.27 118.16 121.29 2lfb n LYS 32 Ca 0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.65 2lfb n LYS 32 Cb 0.37 -1.27 -0.13 0.00 0.02 0.00 0.00 35.03 34.02 2lfb n LYS 32 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2lfb s ASN 33 N -1.78 1.04 -0.58 3.14 0.01 -1.26 -4.85 114.94 110.67 2lfb s ASN 33 Ca 0.12 -0.34 -0.26 0.00 -0.71 0.00 0.00 52.86 51.67 2lfb s ASN 33 Cb 0.05 -0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.62 2lfb s ASN 33 CO 0.09 -0.01 2.04 -2.16 -1.51 0.00 0.00 177.10 175.55 2lfb s PRO 34 N -0.83 2.45 0.00 -0.60 0.04 -1.26 -4.89 135.00 129.90 2lfb s PRO 34 Ca -0.01 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2lfb s PRO 34 Cb -0.06 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2lfb s PRO 34 CO 0.00 -2.94 0.00 -1.13 0.04 0.00 0.00 177.00 172.98 2lfb n SER 35 N 13.84 0.00 0.00 6.66 3.41 -1.26 -4.98 113.62 131.28 2lfb n SER 35 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2lfb n SER 35 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2lfb n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2lfb n LYS 36 N 0.00 0.00 -0.09 4.33 0.00 -1.26 -4.92 118.16 116.22 2lfb n LYS 36 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 2lfb n LYS 36 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 2lfb n LYS 36 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2lfb h GLU 37 N 0.00 0.43 -0.49 1.64 4.22 -2.00 -2.89 114.58 115.49 2lfb h GLU 37 Ca 0.00 -0.07 0.06 0.00 0.08 0.00 0.00 59.36 59.43 2lfb h GLU 37 Cb 0.00 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 2lfb h GLU 37 CO 0.00 0.44 -0.24 -1.91 -2.18 0.00 0.00 179.01 175.12 2lfb n GLU 38 N -4.76 -0.16 0.15 1.92 4.07 -1.26 0.35 120.64 120.95 2lfb n GLU 38 Ca -0.02 0.75 -0.14 0.00 -0.06 0.00 0.00 57.16 57.69 2lfb n GLU 38 Cb 0.12 -1.11 -0.08 0.00 -0.06 0.00 0.00 31.44 30.31 2lfb n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2lfb h ARG 39 N 0.00 -0.69 -0.30 5.31 3.08 -1.86 -2.62 114.38 117.30 2lfb h ARG 39 Ca 0.13 0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 2lfb h ARG 39 Cb 0.25 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2lfb h ARG 39 CO -0.48 -0.46 -0.41 0.93 -1.07 0.00 0.00 179.97 178.48 2lfb h GLU 40 N -0.71 0.73 -0.60 0.04 3.07 -0.19 -0.76 114.58 116.16 2lfb h GLU 40 Ca -0.02 -0.39 0.12 0.00 -0.50 0.00 0.00 59.36 58.57 2lfb h GLU 40 Cb 0.68 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.49 2lfb h GLU 40 CO -0.18 1.01 -0.20 1.15 -1.40 0.00 0.00 179.01 179.38 2lfb h THR 41 N 0.59 0.32 -0.69 1.13 2.02 -0.97 0.13 112.91 115.44 2lfb h THR 41 Ca 0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.33 2lfb h THR 41 Cb 0.96 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 2lfb h THR 41 CO 0.09 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.22 2lfb h LEU 42 N -0.05 0.36 -0.63 2.58 3.38 -0.74 0.32 115.31 120.53 2lfb h LEU 42 Ca 0.28 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2lfb h LEU 42 Cb 0.49 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2lfb h LEU 42 CO -0.64 0.20 0.41 0.58 0.09 0.00 0.00 178.44 179.07 2lfb h VAL 43 N 0.52 1.16 0.45 1.22 2.07 -0.68 -0.28 116.25 120.71 2lfb h VAL 43 Ca 0.35 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2lfb h VAL 43 Cb 0.42 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2lfb h VAL 43 CO -0.31 0.16 -0.26 -0.08 0.02 0.00 0.00 177.57 177.11 2lfb h GLU 44 N 0.85 -0.63 -0.62 1.57 4.22 0.48 0.18 114.58 120.63 2lfb h GLU 44 Ca 0.23 0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.81 2lfb h GLU 44 Cb -0.09 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 2lfb h GLU 44 CO -0.05 -0.42 0.22 0.93 -2.18 0.00 0.00 179.01 177.51 2lfb h GLU 45 N -0.65 0.38 0.67 1.92 4.39 -0.44 0.18 114.58 121.03 2lfb h GLU 45 Ca -0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2lfb h GLU 45 Cb 0.52 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2lfb h GLU 45 CO 0.07 0.25 -0.35 0.00 -1.16 0.00 0.00 179.01 177.83 2lfb h ASN 47 N -0.93 -1.32 -0.43 0.00 2.35 0.10 0.18 115.58 115.54 2lfb h ASN 47 Ca -0.09 0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2lfb h ASN 47 Cb 0.73 0.51 -0.07 0.00 0.05 0.00 0.00 38.32 39.54 2lfb h ASN 47 CO 0.13 -0.37 -0.45 -0.09 -1.65 0.00 0.00 177.43 174.99 2lfb h ARG 48 N -0.45 -0.25 -0.67 0.81 2.43 -0.77 0.30 114.38 115.79 2lfb h ARG 48 Ca 0.02 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2lfb h ARG 48 Cb 0.52 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2lfb h ARG 48 CO -0.33 -0.16 0.36 0.00 -1.51 0.00 0.00 179.97 178.33 2lfb h ALA 49 N -0.19 0.86 0.00 2.80 0.00 -0.75 -2.39 119.26 119.58 2lfb h ALA 49 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2lfb h ALA 49 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2lfb h ALA 49 CO -0.54 0.38 -0.70 1.49 0.00 0.00 0.00 179.25 179.88 2lfb h GLU 50 N 0.91 0.00 -0.58 0.00 4.81 -0.18 -0.99 114.58 118.56 2lfb h GLU 50 Ca 0.23 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2lfb h GLU 50 Cb 0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2lfb h GLU 50 CO -0.04 0.70 0.28 0.00 -0.73 0.00 0.00 179.01 179.22 2lfb h ILE 52 N 0.52 1.01 -1.01 0.00 2.04 -1.07 0.19 117.51 119.18 2lfb h ILE 52 Ca 0.27 -0.68 0.22 0.00 1.00 0.00 0.00 64.86 65.67 2lfb h ILE 52 Cb 0.22 1.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.61 2lfb h ILE 52 CO -0.21 0.16 0.61 1.56 0.00 0.00 0.00 178.15 180.27 2lfb h GLN 53 N -0.52 0.64 -0.21 2.37 4.20 -0.87 -2.16 115.11 118.56 2lfb h GLN 53 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2lfb h GLN 53 Cb 0.40 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2lfb h GLN 53 CO 0.03 0.42 0.00 0.54 -0.67 0.00 0.00 178.83 179.15 2lfb n ARG 54 N -4.82 2.64 -4.12 1.46 1.74 -0.10 -4.99 116.66 108.46 2lfb n ARG 54 Ca 0.25 -2.39 -0.30 0.00 -0.77 0.00 0.00 57.85 54.64 2lfb n ARG 54 Cb 0.68 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2lfb n GLY 55 N -0.38 -0.16 3.82 -0.13 0.00 0.41 -4.95 105.19 103.80 2lfb n GLY 55 Ca 0.15 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 2lfb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2lfb s VAL 56 N -3.94 4.25 0.03 1.61 1.01 0.21 -5.01 120.40 118.56 2lfb s VAL 56 Ca 0.17 1.31 -0.37 0.00 0.00 0.00 0.00 61.98 63.09 2lfb s VAL 56 Cb -0.10 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 2lfb s VAL 56 CO 0.89 -0.39 1.40 -1.20 0.00 0.00 0.00 175.10 175.79 2lfb n SER 57 N -0.99 1.75 -0.27 3.32 7.64 -1.26 -4.63 113.62 119.17 2lfb n SER 57 Ca 0.08 1.11 -0.01 0.00 1.01 0.00 0.00 58.87 61.06 2lfb n SER 57 Cb 0.54 -1.18 0.11 0.00 -1.01 0.00 0.00 64.21 62.66 2lfb n SER 57 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2lfb h PRO 58 N 4.94 0.84 0.00 1.43 0.13 -1.95 0.86 132.00 138.25 2lfb h PRO 58 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2lfb h PRO 58 Cb 1.33 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2lfb h PRO 58 CO 0.80 0.56 0.00 -1.13 -0.23 0.00 0.00 178.00 178.00 2lfb n SER 59 N -4.68 0.00 -1.06 1.44 3.41 -1.26 -0.81 113.62 110.67 2lfb n SER 59 Ca 0.10 0.49 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 2lfb n SER 59 Cb 0.15 -0.49 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.49 0.94 0.31 4.33 6.02 0.21 -4.87 117.38 122.84 2lfb n GLN 60 Ca 0.00 -2.76 0.19 0.00 -0.01 0.00 0.00 57.00 54.42 2lfb n GLN 60 Cb 0.00 -0.93 1.03 0.00 1.02 0.00 0.00 30.24 31.36 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2lfb h ALA 61 N 1.05 1.22 0.00 -1.58 0.00 -0.02 -0.51 119.26 119.42 2lfb h ALA 61 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2lfb h ALA 61 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2lfb h ALA 61 CO 0.06 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.27 2lfb n GLN 62 N -3.42 0.51 0.00 0.00 -0.06 -1.26 -4.10 117.38 109.04 2lfb n GLN 62 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 2lfb n GLN 62 Cb 0.11 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2lfb n GLY 63 N 1.33 -0.17 2.10 1.69 0.00 -0.20 -4.98 105.19 104.96 2lfb n GLY 63 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2lfb n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2lfb n LEU 64 N -0.89 -0.28 0.00 0.99 4.77 -1.26 -4.50 117.00 115.83 2lfb n LEU 64 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2lfb n LEU 64 Cb 0.00 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 2lfb n LEU 64 CO 0.00 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 2lfb n GLY 65 N -0.42 0.04 1.64 -0.72 0.00 -1.26 -0.46 105.19 104.01 2lfb n GLY 65 Ca -0.04 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2lfb n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2lfb n SER 66 N 0.10 4.88 -0.03 1.61 2.88 -1.26 -4.13 113.62 117.67 2lfb n SER 66 Ca 0.00 -2.56 -0.03 0.00 -1.33 0.00 0.00 58.87 54.95 2lfb n SER 66 Cb 0.00 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 2lfb n SER 66 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2lfb n ASN 67 N 0.95 3.72 -3.23 -3.46 3.02 0.39 -4.87 115.26 111.78 2lfb n ASN 67 Ca 0.25 -0.01 -0.46 0.00 -0.03 0.00 0.00 54.58 54.34 2lfb n ASN 67 Cb 0.95 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 40.55 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2lfb n LEU 68 N -2.27 0.78 -4.62 3.41 7.94 -1.20 -4.88 117.00 116.15 2lfb n LEU 68 Ca -0.09 0.76 -0.42 0.00 -1.11 0.00 0.00 56.01 55.16 2lfb n LEU 68 Cb 0.66 -0.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 2lfb n LEU 68 CO 0.10 -0.57 0.57 -0.69 -1.11 0.00 0.00 177.39 175.69 2lfb s VAL 69 N 2.48 4.83 0.40 1.96 1.01 -1.26 -5.02 120.40 124.81 2lfb s VAL 69 Ca 0.75 1.26 0.08 0.00 0.00 0.00 0.00 61.98 64.06 2lfb s VAL 69 Cb -1.04 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.19 2lfb s VAL 69 CO 0.55 -0.17 0.24 0.42 0.00 0.00 0.00 175.10 176.14 2lfb s THR 70 N 2.86 2.53 0.24 3.92 -4.23 -1.26 -4.93 115.64 114.76 2lfb s THR 70 Ca 0.32 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 2lfb s THR 70 Cb -0.15 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.97 2lfb s THR 70 CO 0.11 -0.03 1.55 -0.33 -0.54 0.00 0.00 174.62 175.38 2lfb h GLU 71 N 1.31 -0.00 -0.50 3.99 5.08 -1.98 0.20 114.58 122.68 2lfb h GLU 71 Ca -0.42 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2lfb h GLU 71 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2lfb h GLU 71 CO 0.65 -0.00 0.34 0.28 -1.00 0.00 0.00 179.01 179.28 2lfb h VAL 72 N -0.00 0.93 0.03 3.13 2.07 -1.98 0.86 116.25 121.29 2lfb h VAL 72 Ca 0.37 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 2lfb h VAL 72 Cb 0.62 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2lfb h VAL 72 CO -1.00 0.07 -0.01 0.03 0.02 0.00 0.00 177.57 176.68 2lfb h ARG 73 N 0.37 -0.03 -0.29 1.57 2.47 -0.99 0.16 114.38 117.64 2lfb h ARG 73 Ca 0.23 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.01 2lfb h ARG 73 Cb 0.42 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.69 2lfb h ARG 73 CO -0.06 0.29 -0.09 0.28 0.56 0.00 0.00 179.97 180.96 2lfb h VAL 74 N -0.36 0.68 -0.08 2.04 2.07 -0.85 0.14 116.25 119.89 2lfb h VAL 74 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2lfb h VAL 74 Cb 0.34 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2lfb h VAL 74 CO 0.01 0.00 -0.37 0.22 0.02 0.00 0.00 177.57 177.45 2lfb h TYR 75 N -0.02 -1.04 -0.50 1.57 5.03 -0.85 -0.86 116.97 120.30 2lfb h TYR 75 Ca 0.14 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.52 2lfb h TYR 75 Cb 0.24 0.47 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 2lfb h TYR 75 CO -0.29 -0.45 0.30 -0.91 -1.32 0.00 0.00 178.16 175.49 2lfb h ASN 76 N -0.48 0.49 0.49 -2.11 2.35 -0.26 0.87 115.58 116.94 2lfb h ASN 76 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2lfb h ASN 76 Cb 0.60 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2lfb h ASN 76 CO -0.34 0.35 -0.23 -0.25 -1.65 0.00 0.00 177.43 175.30 2lfb h TRP 77 N 0.60 -0.61 -0.12 1.19 2.91 -0.41 -0.69 115.95 118.82 2lfb h TRP 77 Ca 0.20 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.21 2lfb h TRP 77 Cb 0.02 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2lfb h TRP 77 CO -0.06 -0.31 0.07 0.74 -1.03 0.00 0.00 178.44 177.85 2lfb h PHE 78 N -0.81 0.17 -0.50 2.65 0.04 -1.03 -0.35 116.94 117.10 2lfb h PHE 78 Ca -0.07 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.79 2lfb h PHE 78 Cb 0.57 -0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.56 2lfb h PHE 78 CO -0.01 0.16 -0.34 0.00 -0.60 0.00 0.00 178.31 177.52 2lfb h ALA 79 N 0.99 -0.14 -0.07 2.45 0.00 -0.84 0.47 119.26 122.12 2lfb h ALA 79 Ca 0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2lfb h ALA 79 Cb 0.05 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2lfb h ALA 79 CO -0.01 -0.72 0.04 -0.97 0.00 0.00 0.00 179.25 177.59 2lfb h ASN 80 N -0.21 0.09 0.61 0.00 -1.24 -0.26 0.13 115.58 114.70 2lfb h ASN 80 Ca 0.20 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2lfb h ASN 80 Cb 0.55 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 2lfb h ASN 80 CO -0.62 0.17 -0.44 0.03 -1.29 0.00 0.00 177.43 175.29 2lfb h ARG 81 N 0.00 -0.97 0.00 6.67 2.47 -0.80 0.50 114.38 122.26 2lfb h ARG 81 Ca 0.02 0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2lfb h ARG 81 Cb 0.11 0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2lfb h ARG 81 CO -0.00 -0.64 -0.05 0.07 0.56 0.00 0.00 179.97 179.90 2lfb h ARG 82 N -1.00 0.00 -0.14 0.04 -0.00 -0.87 0.33 114.38 112.74 2lfb h ARG 82 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.78 2lfb h ARG 82 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.80 2lfb h ARG 82 CO 0.04 0.05 -0.38 -0.22 -0.00 0.00 0.00 179.97 179.46 2lfb h LYS 83 N 0.00 0.51 -0.93 0.08 1.63 -0.43 0.20 116.57 117.63 2lfb h LYS 83 Ca -0.00 -0.36 0.13 0.00 -0.85 0.00 0.00 60.65 59.58 2lfb h LYS 83 Cb 0.28 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.89 2lfb h LYS 83 CO 0.01 0.97 0.59 1.49 -3.45 0.00 0.00 179.45 179.06 2lfb h GLU 84 N 0.13 0.78 0.08 1.90 4.57 0.10 0.99 114.58 123.14 2lfb h GLU 84 Ca -0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2lfb h GLU 84 Cb 0.99 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2lfb h GLU 84 CO 0.08 0.52 -0.04 1.49 -1.18 0.00 0.00 179.01 179.88 2lfb h GLU 85 N 0.80 -0.10 -1.00 1.92 4.81 -0.92 -2.93 114.58 117.17 2lfb h GLU 85 Ca 0.46 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.82 2lfb h GLU 85 Cb 0.63 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 2lfb h GLU 85 CO -0.23 0.45 0.63 0.00 -0.73 0.00 0.00 179.01 179.13 2lfb h ALA 86 N -0.09 1.53 0.09 2.92 0.00 -0.35 0.23 119.26 123.59 2lfb h ALA 86 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2lfb h ALA 86 Cb 0.60 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2lfb h ALA 86 CO 0.02 0.23 -0.44 0.35 0.00 0.00 0.00 179.25 179.41 2lfb h PHE 87 N 1.00 -1.27 -0.98 0.00 3.57 -0.84 0.12 116.94 118.54 2lfb h PHE 87 Ca 0.49 0.03 0.15 0.00 3.53 0.00 0.00 57.97 62.18 2lfb h PHE 87 Cb 0.47 0.54 -0.09 0.00 2.79 0.00 0.00 35.95 39.66 2lfb h PHE 87 CO -0.00 -0.49 0.61 -0.09 -2.23 0.00 0.00 178.31 176.11 2lfb h ARG 88 N -0.62 0.80 -0.62 1.11 1.12 -0.88 0.24 114.38 115.52 2lfb h ARG 88 Ca -0.00 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 2lfb h ARG 88 Cb 0.63 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 2lfb h ARG 88 CO -0.24 0.53 0.25 1.25 -3.11 0.00 0.00 179.97 178.65 2lfb h HIS 89 N 0.82 0.90 0.00 2.20 2.76 0.17 0.12 115.15 122.12 2lfb h HIS 89 Ca 0.51 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 2lfb h HIS 89 Cb 0.72 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2lfb h HIS 89 CO -0.00 0.69 0.00 1.17 -1.30 0.00 0.00 177.93 178.48 2lfb n LYS 90 N -4.32 0.87 0.01 5.26 0.00 0.33 -4.52 118.16 115.78 2lfb n LYS 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 2lfb n LYS 90 Cb 0.16 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 33.86 2lfb n LYS 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2lfb n LEU 91 N -0.07 -0.10 -0.82 3.14 -0.00 -1.16 -5.01 117.00 112.98 2lfb n LEU 91 Ca 0.00 0.06 -0.11 0.00 -0.00 0.00 0.00 56.01 55.97 2lfb n LEU 91 Cb 0.16 0.23 -0.05 0.00 -0.00 0.00 0.00 43.42 43.77 2lfb n LEU 91 CO 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 177.39 177.20 2lfb n ALA 92 N -1.86 -0.16 -2.19 1.47 0.00 0.41 -4.75 120.51 113.43 2lfb n ALA 92 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2lfb n ALA 92 Cb 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.06 0.42 -2.70 0.00 0.00 -1.26 -4.98 117.12 107.53 2lfb n MET 93 Ca -0.11 -0.95 -0.06 0.00 0.00 0.00 0.00 57.70 56.59 2lfb n MET 93 Cb 0.55 0.46 0.08 0.00 0.00 0.00 0.00 33.22 34.31 2lfb n MET 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2lfb n ASP 94 N -0.48 -0.08 -4.63 3.17 2.03 -1.26 -5.14 116.55 110.16 2lfb n ASP 94 Ca -0.22 -2.44 -0.30 0.00 0.52 0.00 0.00 54.79 52.36 2lfb n ASP 94 Cb 0.71 0.17 0.18 0.00 -0.72 0.00 0.00 41.12 41.47 2lfb n ASP 94 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2lfb s THR 95 N -1.66 2.28 0.29 5.18 -4.23 -1.26 -4.80 115.64 111.45 2lfb s THR 95 Ca 0.23 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2lfb s THR 95 Cb 0.42 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2lfb s THR 95 CO -0.04 -0.12 0.00 0.00 -0.54 0.00 0.00 174.62 173.92 2lfb n TYR 96 N -4.34 -2.60 0.00 3.99 9.36 -1.26 -4.87 117.16 117.45 2lfb n TYR 96 Ca 0.07 1.33 0.00 0.00 3.32 0.00 0.00 57.90 62.62 2lfb n TYR 96 Cb 0.54 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 2lfb n TYR 96 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2lfb n LYS 97 N -3.52 0.00 -3.82 2.98 4.81 -1.26 -4.58 118.16 112.77 2lfb n LYS 97 Ca -0.01 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.12 2lfb n LYS 97 Cb 0.47 -0.52 0.01 0.00 0.02 0.00 0.00 35.03 35.01 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2lfb n LEU 98 N 0.00 -0.74 0.00 3.14 -0.00 -1.26 -5.28 117.00 112.86 2lfb n LEU 98 Ca 0.00 -0.96 0.11 0.00 -0.00 0.00 0.00 56.01 55.16 2lfb n LEU 98 Cb 0.00 -1.31 0.66 0.00 -0.00 0.00 0.00 43.42 42.77 2lfb n LEU 98 CO 0.00 0.53 0.85 -0.46 -0.00 0.00 0.00 177.39 178.30