#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2lfb s ALA 1 N 0.00 3.64 -1.05 3.04 0.00 -1.26 -4.98 121.76 121.14 2lfb s ALA 1 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 2lfb s ALA 1 Cb 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.61 2lfb s ALA 1 CO 0.00 0.33 2.52 2.89 0.00 0.00 0.00 175.76 181.50 2lfb n ARG 2 N 2.48 2.60 0.00 0.00 1.85 -1.26 -4.69 116.66 117.65 2lfb n ARG 2 Ca -0.12 -1.63 0.00 0.00 -1.00 0.00 0.00 57.85 55.09 2lfb n ARG 2 Cb 0.52 -2.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.43 2lfb n ARG 2 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2lfb n ILE 3 N 3.76 0.00 -1.59 8.89 -5.35 -1.26 -4.65 119.36 119.16 2lfb n ILE 3 Ca 0.55 0.00 -0.48 0.00 -0.27 0.00 0.00 62.75 62.56 2lfb n ILE 3 Cb 0.24 -0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 37.81 2lfb n ILE 3 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2lfb n ASP 4 N -0.05 3.01 -2.26 7.28 -0.08 -1.26 -4.86 116.55 118.33 2lfb n ASP 4 Ca 0.00 0.61 -0.18 0.00 -1.51 0.00 0.00 54.79 53.71 2lfb n ASP 4 Cb 0.11 -1.38 -0.13 0.00 2.34 0.00 0.00 41.12 42.06 2lfb n ASP 4 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2lfb n PRO 5 N 7.65 2.32 -3.75 -0.67 -0.04 -1.26 -4.65 135.00 134.60 2lfb n PRO 5 Ca 0.30 -1.40 -0.25 0.00 -0.04 0.00 0.00 63.50 62.11 2lfb n PRO 5 Cb 0.31 -2.13 0.04 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 2.37 -3.24 -0.88 0.52 -1.04 -1.26 -4.79 114.28 105.96 2lfb n THR 6 Ca 0.48 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 2lfb n THR 6 Cb 0.77 -3.51 0.00 0.00 -1.82 0.00 0.00 70.33 65.77 2lfb n THR 6 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2lfb n LYS 7 N -4.59 0.00 -1.02 -2.82 2.85 -1.26 -4.92 118.16 106.39 2lfb n LYS 7 Ca -0.09 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.04 2lfb n LYS 7 Cb 0.59 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.84 2lfb n LYS 7 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2lfb n LYS 8 N 0.00 1.96 0.00 -1.58 4.81 -1.26 -4.54 118.16 117.54 2lfb n LYS 8 Ca 0.00 -1.12 0.00 0.00 -0.87 0.00 0.00 58.31 56.32 2lfb n LYS 8 Cb 0.02 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.15 2lfb n LYS 8 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2lfb n GLY 9 N 2.11 -0.22 5.00 3.14 0.00 -1.26 -5.03 105.19 108.94 2lfb n GLY 9 Ca 0.39 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.13 2lfb n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2lfb n ARG 10 N 0.00 0.00 -2.11 1.61 5.12 -1.26 -4.89 116.66 115.13 2lfb n ARG 10 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 2lfb n ARG 10 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2lfb n ARG 10 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2lfb s ARG 11 N 0.00 3.86 0.00 5.56 6.06 -1.26 -4.72 118.95 128.44 2lfb s ARG 11 Ca 0.00 2.03 0.00 0.00 -2.50 0.00 0.00 55.73 55.26 2lfb s ARG 11 Cb 0.00 -2.62 0.00 0.00 0.06 0.00 0.00 34.95 32.39 2lfb s ARG 11 CO 0.00 -0.55 0.00 -1.71 -2.50 0.00 0.00 175.30 170.54 2lfb n ASN 12 N -0.12 0.00 -0.09 -2.12 2.85 -1.26 -4.67 115.26 109.84 2lfb n ASN 12 Ca 0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.41 2lfb n ASN 12 Cb 0.45 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.49 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2lfb h ARG 13 N 0.00 0.84 -6.17 1.20 0.11 -1.93 -3.40 114.38 105.04 2lfb h ARG 13 Ca 0.00 -0.42 -0.69 0.00 0.10 0.00 0.00 59.98 58.97 2lfb h ARG 13 Cb 0.00 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 30.79 2lfb h ARG 13 CO 0.00 1.06 -0.86 0.12 0.10 0.00 0.00 179.97 180.39 2lfb s PHE 14 N -4.42 2.48 -0.22 4.08 2.19 -1.26 -4.50 117.98 116.34 2lfb s PHE 14 Ca -0.10 -0.55 -0.19 0.00 0.33 0.00 0.00 56.93 56.42 2lfb s PHE 14 Cb 0.12 -1.60 0.06 0.00 -1.31 0.00 0.00 43.02 40.29 2lfb s PHE 14 CO 0.86 -0.10 0.58 -1.59 1.83 0.00 0.00 175.22 176.79 2lfb s LYS 15 N -0.34 0.66 0.12 10.12 -2.85 -1.26 -4.81 119.74 121.38 2lfb s LYS 15 Ca 0.02 0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 55.52 2lfb s LYS 15 Cb -0.12 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.86 2lfb s LYS 15 CO 0.02 -0.09 1.33 -1.58 0.10 0.00 0.00 175.35 175.13 2lfb s TRP 16 N 0.49 3.29 0.44 1.78 0.52 -1.26 -5.03 118.94 119.16 2lfb s TRP 16 Ca -0.01 1.08 -0.05 0.00 0.02 0.00 0.00 56.10 57.14 2lfb s TRP 16 Cb -0.04 -3.61 0.10 0.00 -1.15 0.00 0.00 33.47 28.76 2lfb s TRP 16 CO -0.02 -2.05 0.60 0.41 0.02 0.00 0.00 176.95 175.91 2lfb n GLY 17 N 3.21 -0.37 0.26 0.98 0.00 -1.26 -4.96 105.19 103.04 2lfb n GLY 17 Ca 0.10 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.87 0.09 1.61 0.13 -2.01 -3.03 132.00 129.66 2lfb h PRO 18 Ca -0.20 -0.43 -0.28 0.00 -0.87 0.00 0.00 66.00 64.23 2lfb h PRO 18 Cb 0.62 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2lfb h PRO 18 CO 0.17 1.07 -1.36 0.00 -0.23 0.00 0.00 178.00 177.65 2lfb h ALA 19 N 0.89 0.28 -0.69 -0.56 0.00 -1.95 -2.83 119.26 114.40 2lfb h ALA 19 Ca 0.07 -1.04 0.20 0.00 0.00 0.00 0.00 54.91 54.14 2lfb h ALA 19 Cb 0.90 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2lfb h ALA 19 CO 0.08 1.15 0.49 0.77 0.00 0.00 0.00 179.25 181.75 2lfb h SER 20 N 0.05 0.03 -0.67 0.00 0.02 -1.90 0.18 113.55 111.26 2lfb h SER 20 Ca -0.17 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2lfb h SER 20 Cb 1.95 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.45 2lfb h SER 20 CO 0.16 0.01 0.45 1.56 -1.14 0.00 0.00 176.83 177.87 2lfb h GLN 21 N 0.03 0.82 -0.04 3.45 1.08 -1.37 -0.29 115.11 118.78 2lfb h GLN 21 Ca 0.33 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.50 2lfb h GLN 21 Cb 1.28 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.50 2lfb h GLN 21 CO -0.01 0.54 -0.11 0.37 -0.95 0.00 0.00 178.83 178.67 2lfb h GLN 22 N 0.84 -0.16 0.72 1.46 -0.00 -0.76 0.48 115.11 117.70 2lfb h GLN 22 Ca 0.26 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.89 2lfb h GLN 22 Cb 0.01 0.04 0.01 0.00 0.00 0.00 0.00 27.48 27.53 2lfb h GLN 22 CO -0.07 -0.10 -0.36 0.82 0.00 0.00 0.00 178.83 179.12 2lfb h ILE 23 N -0.16 0.27 -0.58 2.39 5.03 -1.46 0.93 117.51 123.92 2lfb h ILE 23 Ca 0.05 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.89 2lfb h ILE 23 Cb 0.24 0.27 -0.07 0.00 -3.03 0.00 0.00 36.82 34.22 2lfb h ILE 23 CO -0.14 0.00 0.19 -0.07 -0.68 0.00 0.00 178.15 177.45 2lfb h LEU 24 N -0.98 0.15 -0.53 1.44 3.38 -0.90 -1.85 115.31 116.03 2lfb h LEU 24 Ca -0.10 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2lfb h LEU 24 Cb 0.76 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2lfb h LEU 24 CO 0.15 0.10 0.17 2.19 0.09 0.00 0.00 178.44 181.14 2lfb h PHE 25 N 0.35 0.85 -0.46 1.13 -5.15 0.15 0.51 116.94 114.32 2lfb h PHE 25 Ca 0.29 -0.08 0.01 0.00 -0.20 0.00 0.00 57.97 57.99 2lfb h PHE 25 Cb 0.37 -0.25 -0.03 0.00 0.22 0.00 0.00 35.95 36.27 2lfb h PHE 25 CO -0.19 0.72 0.28 -0.56 -2.00 0.00 0.00 178.31 176.57 2lfb h GLN 26 N 0.73 0.56 0.04 6.09 3.07 0.03 0.13 115.11 125.76 2lfb h GLN 26 Ca 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.88 2lfb h GLN 26 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2lfb h GLN 26 CO -0.01 0.37 -0.02 0.00 0.09 0.00 0.00 178.83 179.26 2lfb h ALA 27 N 1.19 -0.06 0.00 0.06 0.00 -1.40 -3.17 119.26 115.88 2lfb h ALA 27 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2lfb h ALA 27 Cb -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2lfb h ALA 27 CO -0.07 -0.22 -0.00 -0.92 0.00 0.00 0.00 179.25 178.04 2lfb h TYR 28 N -0.68 0.00 0.92 0.00 3.20 -0.45 0.30 116.97 120.26 2lfb h TYR 28 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2lfb h TYR 28 Cb 0.60 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.88 2lfb h TYR 28 CO 0.13 0.00 -0.44 1.49 -1.64 0.00 0.00 178.16 177.70 2lfb h GLU 29 N 0.00 -1.19 0.06 1.82 4.81 -0.75 -3.40 114.58 115.93 2lfb h GLU 29 Ca -0.00 0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2lfb h GLU 29 Cb 0.00 0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2lfb h GLU 29 CO 0.00 -0.79 -0.03 0.07 -0.73 0.00 0.00 179.01 177.53 2lfb h ARG 30 N -1.23 -0.07 -4.81 1.92 0.11 -1.17 -3.44 114.38 105.69 2lfb h ARG 30 Ca -0.13 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.30 2lfb h ARG 30 Cb 0.94 0.02 -0.19 0.00 1.11 0.00 0.00 29.97 31.85 2lfb h ARG 30 CO 0.21 0.15 -0.51 -0.65 0.10 0.00 0.00 179.97 179.26 2lfb s GLN 31 N -1.99 3.67 0.07 0.08 -0.21 0.93 -4.98 119.66 117.22 2lfb s GLN 31 Ca -0.05 -0.51 0.28 0.00 0.02 0.00 0.00 55.36 55.09 2lfb s GLN 31 Cb -0.00 -3.69 1.09 0.00 1.00 0.00 0.00 33.01 31.40 2lfb s GLN 31 CO 0.18 -0.32 1.87 1.63 -2.12 0.00 0.00 175.29 176.53 2lfb n LYS 32 N 5.06 0.08 -4.02 2.91 4.76 -1.26 -4.02 118.16 121.68 2lfb n LYS 32 Ca -0.14 0.08 -0.08 0.00 -2.87 0.00 0.00 58.31 55.30 2lfb n LYS 32 Cb 0.51 -1.60 -0.09 0.00 -1.84 0.00 0.00 35.03 32.01 2lfb n LYS 32 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2lfb s ASN 33 N -3.48 0.28 -1.47 4.39 2.20 -1.26 -4.73 114.94 110.87 2lfb s ASN 33 Ca 0.13 -0.93 -0.09 0.00 -0.94 0.00 0.00 52.86 51.02 2lfb s ASN 33 Cb 0.17 0.30 0.02 0.00 -2.00 0.00 0.00 41.25 39.74 2lfb s ASN 33 CO 0.54 -0.71 2.53 -0.81 -2.94 0.00 0.00 177.10 175.71 2lfb n PRO 34 N -0.03 3.77 0.00 3.55 -0.04 -1.26 -4.84 135.00 136.14 2lfb n PRO 34 Ca -0.11 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 2lfb n PRO 34 Cb 0.62 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2lfb n PRO 34 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2lfb n SER 35 N 3.61 0.00 0.00 3.54 7.64 -1.26 -4.78 113.62 122.37 2lfb n SER 35 Ca 0.64 0.91 0.00 0.00 1.01 0.00 0.00 58.87 61.43 2lfb n SER 35 Cb 0.28 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2lfb n SER 35 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2lfb n LYS 36 N -2.23 0.00 -0.27 1.43 2.85 -1.26 -4.96 118.16 113.72 2lfb n LYS 36 Ca 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.34 2lfb n LYS 36 Cb 0.00 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.56 2lfb n LYS 36 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2lfb n GLU 37 N 0.00 -0.07 -0.16 -1.58 1.02 -1.26 -0.98 120.64 117.61 2lfb n GLU 37 Ca 0.00 1.19 -0.02 0.00 -0.02 0.00 0.00 57.16 58.31 2lfb n GLU 37 Cb 0.00 -1.84 0.06 0.00 -0.02 0.00 0.00 31.44 29.64 2lfb n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2lfb h GLU 38 N 0.00 0.10 -0.40 3.49 4.57 -1.93 0.86 114.58 121.26 2lfb h GLU 38 Ca 0.43 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.66 2lfb h GLU 38 Cb 0.79 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 2lfb h GLU 38 CO -0.76 0.06 0.11 0.00 -1.18 0.00 0.00 179.01 177.24 2lfb h ARG 39 N 0.10 0.25 -0.05 1.92 3.08 -1.36 0.86 114.38 119.17 2lfb h ARG 39 Ca 0.26 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 2lfb h ARG 39 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2lfb h ARG 39 CO -0.45 0.16 -0.27 0.93 -1.07 0.00 0.00 179.97 179.28 2lfb h GLU 40 N 0.26 0.27 -0.34 0.04 3.07 -1.13 -0.15 114.58 116.59 2lfb h GLU 40 Ca 0.19 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 2lfb h GLU 40 Cb 0.20 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.08 2lfb h GLU 40 CO -0.22 0.88 -0.52 0.00 -1.40 0.00 0.00 179.01 177.75 2lfb h THR 41 N -0.27 0.03 -0.99 1.13 1.03 -0.91 -2.20 112.91 110.72 2lfb h THR 41 Ca -0.02 0.00 0.19 0.00 -0.01 0.00 0.00 66.41 66.57 2lfb h THR 41 Cb 0.93 0.03 -0.10 0.00 -1.07 0.00 0.00 68.15 67.94 2lfb h THR 41 CO 0.05 0.00 0.61 -0.07 -0.01 0.00 0.00 175.52 176.11 2lfb h LEU 42 N -0.42 0.74 0.78 0.00 3.38 -0.05 0.16 115.31 119.90 2lfb h LEU 42 Ca 0.08 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2lfb h LEU 42 Cb 0.61 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2lfb h LEU 42 CO -0.55 0.27 -0.38 0.58 0.09 0.00 0.00 178.44 178.45 2lfb h VAL 43 N 0.72 0.00 -0.15 1.22 2.07 -0.44 -1.97 116.25 117.71 2lfb h VAL 43 Ca 0.56 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 68.10 2lfb h VAL 43 Cb 0.93 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2lfb h VAL 43 CO -0.35 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 176.79 2lfb h GLU 44 N -1.06 -0.34 -0.87 1.57 4.57 -0.61 0.18 114.58 118.03 2lfb h GLU 44 Ca -0.11 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.28 2lfb h GLU 44 Cb 0.80 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 29.31 2lfb h GLU 44 CO 0.18 -0.23 -0.16 0.93 -1.18 0.00 0.00 179.01 178.55 2lfb h GLU 45 N -0.35 0.01 0.04 1.92 3.07 -0.88 0.13 114.58 118.52 2lfb h GLU 45 Ca 0.03 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2lfb h GLU 45 Cb 0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2lfb h GLU 45 CO -0.33 0.01 -0.02 0.00 -1.40 0.00 0.00 179.01 177.28 2lfb h ASN 47 N -0.52 -0.26 -0.26 0.00 -0.73 0.10 0.43 115.58 114.34 2lfb h ASN 47 Ca -0.01 0.05 0.06 0.00 1.87 0.00 0.00 56.30 58.28 2lfb h ASN 47 Cb 0.48 0.13 -0.08 0.00 0.27 0.00 0.00 38.32 39.12 2lfb h ASN 47 CO 0.01 -0.11 -0.37 -0.09 -0.37 0.00 0.00 177.43 176.49 2lfb h ARG 48 N -0.10 -0.36 -0.11 6.67 9.65 -0.92 0.11 114.38 129.33 2lfb h ARG 48 Ca 0.07 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 2lfb h ARG 48 Cb 0.19 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2lfb h ARG 48 CO -0.16 -0.24 0.09 0.00 2.80 0.00 0.00 179.97 182.46 2lfb h ALA 49 N 0.42 1.91 0.22 2.80 0.00 -0.05 -0.06 119.26 124.51 2lfb h ALA 49 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 2lfb h ALA 49 Cb 0.58 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.41 2lfb h ALA 49 CO -0.46 -0.15 -1.28 1.49 0.00 0.00 0.00 179.25 178.85 2lfb h GLU 50 N 0.00 0.46 -0.43 0.00 4.57 0.13 -1.23 114.58 118.08 2lfb h GLU 50 Ca 0.05 -0.79 0.08 0.00 -1.18 0.00 0.00 59.36 57.53 2lfb h GLU 50 Cb 0.23 0.29 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 2lfb h GLU 50 CO -0.00 1.38 -0.05 0.00 -1.18 0.00 0.00 179.01 179.15 2lfb h ILE 52 N 0.05 1.25 -0.96 0.00 2.04 -0.95 0.14 117.51 119.08 2lfb h ILE 52 Ca 0.21 -0.83 0.31 0.00 1.00 0.00 0.00 64.86 65.55 2lfb h ILE 52 Cb 0.32 0.58 -0.16 0.00 -0.74 0.00 0.00 36.82 36.81 2lfb h ILE 52 CO -0.40 0.32 0.35 -0.61 0.00 0.00 0.00 178.15 177.81 2lfb h GLN 53 N 0.92 0.15 0.00 2.37 4.15 -0.71 -2.31 115.11 119.67 2lfb h GLN 53 Ca 0.21 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2lfb h GLN 53 Cb 0.27 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2lfb h GLN 53 CO -0.01 0.10 -1.54 2.89 -1.93 0.00 0.00 178.83 178.34 2lfb n ARG 54 N -5.24 0.77 -1.55 1.69 0.00 -1.11 -5.03 116.66 106.19 2lfb n ARG 54 Ca 0.28 -0.08 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2lfb n ARG 54 Cb 0.92 -1.26 0.00 0.00 -0.00 0.00 0.00 32.46 32.12 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2lfb n GLY 55 N 1.99 0.85 3.78 2.89 0.00 0.27 -5.07 105.19 109.89 2lfb n GLY 55 Ca -0.05 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.98 3.48 -0.18 1.61 1.01 0.01 -4.98 120.40 118.37 2lfb s VAL 56 Ca 0.00 1.17 -0.35 0.00 0.00 0.00 0.00 61.98 62.80 2lfb s VAL 56 Cb 0.00 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 2lfb s VAL 56 CO 0.00 0.04 1.93 -1.20 0.00 0.00 0.00 175.10 175.88 2lfb n SER 57 N -0.03 3.03 -0.32 3.32 7.64 -1.26 -4.79 113.62 121.21 2lfb n SER 57 Ca 0.05 0.85 0.08 0.00 1.01 0.00 0.00 58.87 60.85 2lfb n SER 57 Cb 0.48 -1.32 0.28 0.00 -1.01 0.00 0.00 64.21 62.64 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 9.79 0.89 -0.92 1.43 0.13 -1.95 0.29 132.00 141.65 2lfb h PRO 58 Ca -0.44 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 64.78 2lfb h PRO 58 Cb 1.29 -0.20 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 2lfb h PRO 58 CO 0.96 0.59 0.59 0.66 -0.23 0.00 0.00 178.00 180.57 2lfb h SER 59 N 0.91 0.72 -0.65 1.44 4.64 -2.05 -0.82 113.55 117.75 2lfb h SER 59 Ca 0.45 0.04 -0.35 0.00 -0.47 0.00 0.00 61.79 61.47 2lfb h SER 59 Cb 0.48 -0.10 -0.20 0.00 -0.31 0.00 0.00 62.40 62.27 2lfb h SER 59 CO -0.22 0.36 0.44 1.67 -0.87 0.00 0.00 176.83 178.22 2lfb n GLN 60 N -4.58 1.84 0.23 4.77 7.27 0.10 -4.18 117.38 122.83 2lfb n GLN 60 Ca 0.18 -1.96 0.10 0.00 0.07 0.00 0.00 57.00 55.38 2lfb n GLN 60 Cb 0.45 -1.77 0.55 0.00 2.41 0.00 0.00 30.24 31.88 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2lfb h ALA 61 N 1.39 1.18 0.00 1.69 0.00 -1.12 0.13 119.26 122.53 2lfb h ALA 61 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2lfb h ALA 61 Cb 2.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2lfb h ALA 61 CO 0.76 0.27 0.00 1.04 0.00 0.00 0.00 179.25 181.32 2lfb n GLN 62 N -3.61 0.49 0.00 0.00 1.13 -1.26 -4.14 117.38 109.98 2lfb n GLN 62 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2lfb n GLN 62 Cb 0.35 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.35 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2lfb n GLY 63 N -0.02 1.75 4.96 1.08 0.00 0.46 -4.83 105.19 108.59 2lfb n GLY 63 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 0.00 0.99 7.99 -1.26 -4.67 117.00 120.05 2lfb n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2lfb n LEU 64 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2lfb n LEU 64 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2lfb n GLY 65 N 0.00 1.76 0.08 -0.72 0.00 -1.26 -3.19 105.19 101.86 2lfb n GLY 65 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.15 0.37 1.61 0.87 -1.90 -2.47 113.55 112.18 2lfb h SER 66 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2lfb h SER 66 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2lfb h SER 66 CO 0.00 0.28 0.00 0.78 -0.53 0.00 0.00 176.83 177.36 2lfb h ASN 67 N 0.01 0.00 -2.10 6.23 -0.26 -1.77 -3.34 115.58 114.34 2lfb h ASN 67 Ca 0.04 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.20 2lfb h ASN 67 Cb 0.18 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2lfb h ASN 67 CO -0.00 0.00 1.39 -0.11 -1.06 0.00 0.00 177.43 177.65 2lfb n LEU 68 N -2.52 3.58 -4.74 1.61 7.94 -0.93 -4.93 117.00 117.01 2lfb n LEU 68 Ca -0.00 0.48 -0.41 0.00 -1.11 0.00 0.00 56.01 54.96 2lfb n LEU 68 Cb 0.14 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.51 2lfb n LEU 68 CO 0.17 -0.35 0.81 0.54 -1.11 0.00 0.00 177.39 177.45 2lfb s VAL 69 N 6.82 3.81 0.29 1.96 0.11 -1.26 -4.94 120.40 127.20 2lfb s VAL 69 Ca 0.97 1.55 0.03 0.00 -2.93 0.00 0.00 61.98 61.60 2lfb s VAL 69 Cb -0.39 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 2lfb s VAL 69 CO 0.38 0.26 0.16 0.42 -3.33 0.00 0.00 175.10 172.99 2lfb s THR 70 N -0.18 0.29 0.27 5.04 -4.23 -1.26 -4.87 115.64 110.70 2lfb s THR 70 Ca 0.50 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2lfb s THR 70 Cb -0.30 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.33 2lfb s THR 70 CO 0.35 0.00 1.64 1.05 -0.54 0.00 0.00 174.62 177.12 2lfb h GLU 71 N 2.26 0.16 0.00 3.99 -0.00 -1.97 0.75 114.58 119.77 2lfb h GLU 71 Ca -0.34 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 58.99 2lfb h GLU 71 Cb 1.25 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2lfb h GLU 71 CO 0.52 0.10 -0.10 -0.24 -0.00 0.00 0.00 179.01 179.29 2lfb h VAL 72 N 0.16 0.40 0.01 -1.06 3.04 -1.97 0.25 116.25 117.09 2lfb h VAL 72 Ca 0.50 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2lfb h VAL 72 Cb 0.97 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2lfb h VAL 72 CO -0.67 0.10 -0.01 0.03 -1.01 0.00 0.00 177.57 176.01 2lfb h ARG 73 N 0.00 -0.02 -0.44 4.17 2.47 -1.25 -0.35 114.38 118.96 2lfb h ARG 73 Ca -0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 2lfb h ARG 73 Cb 0.39 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.65 2lfb h ARG 73 CO 0.01 0.67 0.06 0.28 0.56 0.00 0.00 179.97 181.55 2lfb h VAL 74 N -0.74 0.73 0.30 2.04 2.07 -1.08 -1.57 116.25 118.01 2lfb h VAL 74 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2lfb h VAL 74 Cb 0.70 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2lfb h VAL 74 CO 0.00 0.03 -0.37 0.22 0.02 0.00 0.00 177.57 177.48 2lfb h TYR 75 N 0.19 -1.01 -0.49 1.57 5.03 -0.56 -0.09 116.97 121.61 2lfb h TYR 75 Ca 0.22 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 2lfb h TYR 75 Cb 0.29 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.95 2lfb h TYR 75 CO -0.23 -0.51 0.10 -2.95 -1.32 0.00 0.00 178.16 173.25 2lfb h ASN 76 N -0.72 0.69 0.15 -2.11 7.08 -0.57 0.21 115.58 120.32 2lfb h ASN 76 Ca -0.01 -0.12 -0.01 0.00 -3.08 0.00 0.00 56.30 53.08 2lfb h ASN 76 Cb 0.67 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 2lfb h ASN 76 CO -0.10 0.70 -0.07 4.11 -2.08 0.00 0.00 177.43 179.98 2lfb h TRP 77 N 0.72 -0.19 -0.03 4.14 5.08 -1.12 -3.00 115.95 121.55 2lfb h TRP 77 Ca 0.16 -0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.15 2lfb h TRP 77 Cb 0.29 0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 26.49 2lfb h TRP 77 CO 0.02 0.25 -0.13 0.74 -1.28 0.00 0.00 178.44 178.03 2lfb h PHE 78 N -0.76 -0.34 0.00 0.12 -1.00 -0.82 0.76 116.94 114.91 2lfb h PHE 78 Ca -0.02 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2lfb h PHE 78 Cb 0.52 0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2lfb h PHE 78 CO 0.08 -0.20 0.13 0.00 -1.61 0.00 0.00 178.31 176.71 2lfb h ALA 79 N 0.77 1.10 0.00 2.45 0.00 -0.69 0.19 119.26 123.08 2lfb h ALA 79 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 2lfb h ALA 79 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2lfb h ALA 79 CO -0.15 -0.10 -1.56 0.09 0.00 0.00 0.00 179.25 177.52 2lfb n ASN 80 N -2.45 1.88 0.04 0.00 3.02 -0.42 -3.69 115.26 113.65 2lfb n ASN 80 Ca -0.02 0.40 -0.15 0.00 -0.03 0.00 0.00 54.58 54.78 2lfb n ASN 80 Cb 0.17 -0.93 -0.09 0.00 -0.61 0.00 0.00 39.78 38.32 2lfb n ASN 80 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2lfb h ARG 81 N -0.99 -0.61 0.00 3.52 2.47 0.51 0.11 114.38 119.38 2lfb h ARG 81 Ca -0.43 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2lfb h ARG 81 Cb 1.38 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2lfb h ARG 81 CO -0.26 -0.41 -0.02 0.07 0.56 0.00 0.00 179.97 179.91 2lfb h ARG 82 N -0.63 0.00 -0.12 0.04 0.11 -0.93 0.22 114.38 113.07 2lfb h ARG 82 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 2lfb h ARG 82 Cb 0.70 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 2lfb h ARG 82 CO -0.37 0.02 -0.02 0.87 0.10 0.00 0.00 179.97 180.57 2lfb h LYS 83 N 0.00 0.23 -0.91 0.08 6.56 -1.09 -1.27 116.57 120.17 2lfb h LYS 83 Ca -0.00 -0.08 0.15 0.00 -1.06 0.00 0.00 60.65 59.66 2lfb h LYS 83 Cb 0.07 -0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.62 2lfb h LYS 83 CO 0.00 0.52 0.52 1.49 -2.06 0.00 0.00 179.45 179.92 2lfb h GLU 84 N -0.08 0.71 -1.03 3.15 4.81 0.47 0.53 114.58 123.14 2lfb h GLU 84 Ca 0.03 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 2lfb h GLU 84 Cb 0.43 -0.16 -0.19 0.00 0.63 0.00 0.00 28.75 29.46 2lfb h GLU 84 CO 0.01 0.47 0.41 -1.91 -0.73 0.00 0.00 179.01 177.27 2lfb n GLU 85 N -4.79 1.79 0.13 1.92 2.13 -0.07 -3.04 120.64 118.71 2lfb n GLU 85 Ca 0.19 -1.86 0.00 0.00 0.66 0.00 0.00 57.16 56.15 2lfb n GLU 85 Cb 0.45 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.43 2lfb n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb n ALA 86 N -0.47 0.00 0.26 4.31 0.00 -0.55 -4.83 120.51 119.23 2lfb n ALA 86 Ca 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 2lfb n ALA 86 Cb 1.17 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.55 2lfb n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2lfb h PHE 87 N 0.00 -1.02 -0.89 0.00 3.04 -0.14 0.12 116.94 118.05 2lfb h PHE 87 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2lfb h PHE 87 Cb 0.00 0.39 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 2lfb h PHE 87 CO 0.00 -0.52 0.47 -0.09 -2.02 0.00 0.00 178.31 176.15 2lfb h ARG 88 N -0.81 1.25 -0.42 1.11 9.65 -1.20 0.17 114.38 124.14 2lfb h ARG 88 Ca -0.06 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 2lfb h ARG 88 Cb 0.68 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 2lfb h ARG 88 CO -0.00 0.93 0.11 1.25 2.80 0.00 0.00 179.97 185.05 2lfb h HIS 89 N 1.25 0.63 0.00 2.20 2.76 -1.41 -3.38 115.15 117.21 2lfb h HIS 89 Ca 0.31 -0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.27 2lfb h HIS 89 Cb 0.05 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2lfb h HIS 89 CO 0.01 0.54 -1.40 1.17 -1.30 0.00 0.00 177.93 176.95 2lfb n LYS 90 N -4.32 0.39 0.00 5.26 4.81 0.40 -4.97 118.16 119.72 2lfb n LYS 90 Ca 0.03 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2lfb n LYS 90 Cb 0.19 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2lfb n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2lfb n LEU 91 N -4.01 0.00 -0.45 3.14 7.99 0.57 -4.78 117.00 119.46 2lfb n LEU 91 Ca -0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.70 2lfb n LEU 91 Cb 0.57 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.85 2lfb n LEU 91 CO 0.08 0.00 -0.06 0.00 -1.51 0.00 0.00 177.39 175.90 2lfb n ALA 92 N -3.00 -0.09 -0.61 -1.18 0.00 -1.25 -4.80 120.51 109.58 2lfb n ALA 92 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2lfb n ALA 92 Cb 0.00 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 18.59 2lfb n ALA 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2lfb n MET 93 N -1.59 3.36 -2.66 0.00 2.81 -1.26 -4.78 117.12 112.99 2lfb n MET 93 Ca -0.06 -2.68 -0.04 0.00 -1.81 0.00 0.00 57.70 53.11 2lfb n MET 93 Cb 0.35 -1.74 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 2lfb n MET 93 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2lfb n ASP 94 N 0.56 -1.25 -3.75 7.83 2.03 -1.26 -5.18 116.55 115.52 2lfb n ASP 94 Ca 0.21 -1.59 -0.05 0.00 0.52 0.00 0.00 54.79 53.88 2lfb n ASP 94 Cb 0.78 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.84 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 0.23 0.00 0.00 5.18 -4.23 -1.26 -5.10 115.64 110.46 2lfb s THR 95 Ca 0.25 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2lfb s THR 95 Cb 0.19 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2lfb s THR 95 CO -0.08 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.00 2lfb n TYR 96 N -0.45 -2.44 0.01 3.99 4.11 -1.26 -5.01 117.16 116.11 2lfb n TYR 96 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.90 57.84 2lfb n TYR 96 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.94 2lfb n TYR 96 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 2lfb h LYS 97 N 0.00 -0.02 -6.12 -3.48 1.57 -2.03 -3.49 116.57 103.00 2lfb h LYS 97 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2lfb h LYS 97 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2lfb h LYS 97 CO 0.00 -0.01 -1.01 1.47 -0.57 0.00 0.00 179.45 179.33 2lfb n LEU 98 N -2.05 -4.40 0.00 2.94 -0.00 -1.26 -5.01 117.00 107.22 2lfb n LEU 98 Ca -0.00 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 2lfb n LEU 98 Cb 0.01 -2.11 0.00 0.00 -0.00 0.00 0.00 43.42 41.32 2lfb n LEU 98 CO 0.00 -1.21 0.00 -0.46 -0.00 0.00 0.00 177.39 175.72