#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 2.06 0.49 3.04 0.00 -1.26 -5.10 121.76 120.98 2lfb s ALA 1 Ca 0.00 -2.27 0.03 0.00 0.00 0.00 0.00 51.96 49.72 2lfb s ALA 1 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2lfb s ALA 1 CO 0.00 -1.87 0.06 1.03 0.00 0.00 0.00 175.76 174.98 2lfb s ARG 2 N 0.86 2.16 0.46 0.00 0.52 -1.26 -5.12 118.95 116.57 2lfb s ARG 2 Ca 0.14 -2.26 -0.24 0.00 -0.52 0.00 0.00 55.73 52.85 2lfb s ARG 2 Cb -0.21 -1.65 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 2lfb s ARG 2 CO -0.10 -0.32 1.29 0.96 0.02 0.00 0.00 175.30 177.16 2lfb s ILE 3 N -2.81 2.57 -0.45 1.52 -4.36 -1.26 -5.01 121.20 111.40 2lfb s ILE 3 Ca 0.17 0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 60.87 2lfb s ILE 3 Cb 0.03 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.53 2lfb s ILE 3 CO 0.09 0.03 0.39 -0.62 0.24 0.00 0.00 174.94 175.08 2lfb s ASP 4 N -0.94 6.15 0.00 4.36 2.15 -1.26 -4.98 116.67 122.15 2lfb s ASP 4 Ca 0.63 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2lfb s ASP 4 Cb -0.37 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2lfb s ASP 4 CO 0.45 -0.60 0.00 -0.81 -0.17 0.00 0.00 175.17 174.05 2lfb n PRO 5 N 5.32 0.00 -3.16 4.34 -0.04 -1.26 -4.81 135.00 135.39 2lfb n PRO 5 Ca -0.11 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 2lfb n PRO 5 Cb 0.45 -0.69 -0.04 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.52 0.52 0.00 0.52 -1.04 -1.26 -5.03 114.28 106.47 2lfb n THR 6 Ca 0.00 -4.71 0.00 0.00 -2.04 0.00 0.00 64.05 57.30 2lfb n THR 6 Cb 0.00 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 2lfb n THR 6 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2lfb n LYS 7 N 0.44 0.62 -2.55 -2.82 4.81 -1.26 -5.03 118.16 112.37 2lfb n LYS 7 Ca 0.26 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.27 2lfb n LYS 7 Cb 0.57 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 2lfb n LYS 7 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2lfb s LYS 8 N 4.21 3.81 0.00 1.64 3.01 -1.26 -4.96 119.74 126.18 2lfb s LYS 8 Ca 0.00 0.82 0.00 0.00 -1.01 0.00 0.00 55.97 55.78 2lfb s LYS 8 Cb 0.00 -3.88 0.00 0.00 -1.01 0.00 0.00 37.83 32.94 2lfb s LYS 8 CO 0.00 -1.27 0.00 0.41 0.51 0.00 0.00 175.35 175.00 2lfb n GLY 9 N 4.59 0.74 3.77 -3.33 0.00 -1.26 -4.87 105.19 104.83 2lfb n GLY 9 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.84 -2.00 1.61 1.85 -1.26 -4.76 116.66 111.25 2lfb n ARG 10 Ca 0.00 0.01 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2lfb n ARG 10 Cb 0.00 -2.08 0.03 0.00 -1.05 0.00 0.00 32.46 29.36 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 -6.08 3.07 -0.18 2.89 3.52 -1.26 -4.97 118.95 115.94 2lfb s ARG 11 Ca 0.08 1.89 -0.20 0.00 -0.13 0.00 0.00 55.73 57.37 2lfb s ARG 11 Cb -0.05 -2.03 -0.21 0.00 -1.56 0.00 0.00 34.95 31.10 2lfb s ARG 11 CO 0.65 -1.14 0.31 -2.95 -0.81 0.00 0.00 175.30 171.36 2lfb h ASN 12 N 1.09 0.09 0.32 -2.12 -1.07 -2.01 -3.41 115.58 108.47 2lfb h ASN 12 Ca -0.50 -0.64 -0.02 0.00 0.07 0.00 0.00 56.30 55.22 2lfb h ASN 12 Cb 1.29 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2lfb h ASN 12 CO 0.56 1.51 -0.15 0.08 0.07 0.00 0.00 177.43 179.50 2lfb h ARG 13 N -0.80 -0.41 -6.46 4.14 -0.00 -2.01 -3.40 114.38 105.44 2lfb h ARG 13 Ca -0.33 0.03 -0.53 0.00 -0.00 0.00 0.00 59.98 59.15 2lfb h ARG 13 Cb 1.42 0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 31.46 2lfb h ARG 13 CO -0.13 -0.28 0.32 0.12 -0.00 0.00 0.00 179.97 180.00 2lfb s PHE 14 N -3.72 3.76 0.00 4.08 2.19 -1.26 -5.07 117.98 117.96 2lfb s PHE 14 Ca -0.06 1.70 0.00 0.00 0.33 0.00 0.00 56.93 58.90 2lfb s PHE 14 Cb 0.01 -3.02 0.00 0.00 -1.31 0.00 0.00 43.02 38.70 2lfb s PHE 14 CO 0.19 0.17 0.00 0.36 1.83 0.00 0.00 175.22 177.76 2lfb n LYS 15 N 3.08 1.76 -4.92 10.12 2.85 -1.26 -4.47 118.16 125.31 2lfb n LYS 15 Ca 0.02 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.96 2lfb n LYS 15 Cb 0.50 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.73 2lfb n LYS 15 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2lfb s TRP 16 N -0.13 2.70 0.00 5.58 0.52 -1.26 -5.00 118.94 121.35 2lfb s TRP 16 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.63 2lfb s TRP 16 Cb 0.00 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2lfb s TRP 16 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 176.95 177.31 2lfb n GLY 17 N 2.97 2.91 3.90 0.98 0.00 -1.26 -5.07 105.19 109.63 2lfb n GLY 17 Ca -0.18 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 2lfb n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2lfb s PRO 18 N 2.71 2.62 0.00 1.61 0.04 -1.26 -4.10 135.00 136.62 2lfb s PRO 18 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2lfb s PRO 18 Cb 0.00 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2lfb s PRO 18 CO 0.00 -1.06 0.00 0.00 0.04 0.00 0.00 177.00 175.98 2lfb n ALA 19 N -2.92 0.00 -0.24 8.56 0.00 -1.26 -4.48 120.51 120.17 2lfb n ALA 19 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2lfb n ALA 19 Cb 0.58 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.27 2lfb n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2lfb n SER 20 N 2.25 -0.02 0.03 0.00 2.88 -1.26 -0.26 113.62 117.23 2lfb n SER 20 Ca 0.00 1.17 -0.05 0.00 -1.33 0.00 0.00 58.87 58.66 2lfb n SER 20 Cb 0.00 -0.45 0.16 0.00 -0.75 0.00 0.00 64.21 63.17 2lfb n SER 20 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2lfb h GLN 21 N 0.00 0.45 -0.87 -1.46 1.08 -1.79 -0.66 115.11 111.87 2lfb h GLN 21 Ca 0.45 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2lfb h GLN 21 Cb 0.99 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.37 2lfb h GLN 21 CO -0.63 0.75 0.57 1.96 -0.95 0.00 0.00 178.83 180.53 2lfb h GLN 22 N 0.38 1.14 -0.06 1.46 7.50 -1.01 0.04 115.11 124.56 2lfb h GLN 22 Ca 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.09 2lfb h GLN 22 Cb 0.81 -0.26 0.00 0.00 0.05 0.00 0.00 27.48 28.08 2lfb h GLN 22 CO 0.07 0.76 -0.11 0.82 -1.50 0.00 0.00 178.83 178.86 2lfb h ILE 23 N 1.17 1.42 -0.47 2.54 5.03 -1.33 -0.97 117.51 124.90 2lfb h ILE 23 Ca 0.32 -1.41 0.07 0.00 -0.12 0.00 0.00 64.86 63.72 2lfb h ILE 23 Cb -0.14 2.22 -0.10 0.00 -3.03 0.00 0.00 36.82 35.78 2lfb h ILE 23 CO -0.07 0.39 -0.44 -0.07 -0.68 0.00 0.00 178.15 177.28 2lfb h LEU 24 N -0.33 -1.50 -0.04 1.44 3.38 -0.77 0.48 115.31 117.97 2lfb h LEU 24 Ca 0.00 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2lfb h LEU 24 Cb 0.68 0.66 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 2lfb h LEU 24 CO 0.02 -0.36 -0.54 -0.26 0.09 0.00 0.00 178.44 177.40 2lfb h PHE 25 N -0.29 -1.58 -0.70 1.13 -1.00 -0.97 -0.78 116.94 112.75 2lfb h PHE 25 Ca 0.15 0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.99 2lfb h PHE 25 Cb 0.58 0.69 -0.04 0.00 3.61 0.00 0.00 35.95 40.80 2lfb h PHE 25 CO -0.67 -0.57 0.46 -0.56 -1.61 0.00 0.00 178.31 175.37 2lfb h GLN 26 N -0.65 0.91 0.22 1.51 3.07 -0.41 0.18 115.11 119.94 2lfb h GLN 26 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 2lfb h GLN 26 Cb 0.71 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2lfb h GLN 26 CO -0.38 0.60 -0.10 0.00 0.09 0.00 0.00 178.83 179.03 2lfb h ALA 27 N 1.57 -0.29 -0.09 0.06 0.00 -0.34 -0.85 119.26 119.31 2lfb h ALA 27 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2lfb h ALA 27 Cb -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2lfb h ALA 27 CO -0.06 -0.56 -0.22 -0.92 0.00 0.00 0.00 179.25 177.49 2lfb h TYR 28 N -0.49 -0.58 -0.80 0.00 3.20 -0.75 -0.11 116.97 117.44 2lfb h TYR 28 Ca -0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2lfb h TYR 28 Cb 0.37 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2lfb h TYR 28 CO -0.00 -0.30 0.52 1.05 -1.64 0.00 0.00 178.16 177.79 2lfb h GLU 29 N -0.30 1.05 0.30 1.82 4.11 -0.45 -0.04 114.58 121.08 2lfb h GLU 29 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2lfb h GLU 29 Cb 0.42 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2lfb h GLU 29 CO -0.26 0.70 -0.14 -0.09 0.07 0.00 0.00 179.01 179.29 2lfb h ARG 30 N 1.08 -0.39 -2.50 1.06 2.43 -1.01 -3.42 114.38 111.63 2lfb h ARG 30 Ca 0.29 0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.89 2lfb h ARG 30 Cb -0.11 0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 29.12 2lfb h ARG 30 CO -0.06 -0.20 -0.82 0.94 -1.51 0.00 0.00 179.97 178.32 2lfb n GLN 31 N -5.04 1.11 0.00 0.20 7.27 -0.07 -4.96 117.38 115.88 2lfb n GLN 31 Ca -0.06 -3.80 0.00 0.00 0.07 0.00 0.00 57.00 53.22 2lfb n GLN 31 Cb 0.19 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 30.97 2lfb n GLN 31 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2lfb n LYS 32 N 2.05 0.77 -3.56 3.69 0.00 -0.06 -3.71 118.16 117.33 2lfb n LYS 32 Ca 0.25 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.28 2lfb n LYS 32 Cb 0.44 -1.19 -0.12 0.00 -0.00 0.00 0.00 35.03 34.16 2lfb n LYS 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2lfb s ASN 33 N 0.66 3.05 -0.60 -5.58 0.01 -1.26 -5.06 114.94 106.16 2lfb s ASN 33 Ca 0.00 -2.57 -0.27 0.00 -0.71 0.00 0.00 52.86 49.31 2lfb s ASN 33 Cb 0.00 -0.69 -0.01 0.00 0.41 0.00 0.00 41.25 40.96 2lfb s ASN 33 CO 0.00 -0.26 1.69 -2.16 -1.51 0.00 0.00 177.10 174.86 2lfb s PRO 34 N 0.52 2.89 0.00 -0.60 0.04 -1.24 -4.88 135.00 131.73 2lfb s PRO 34 Ca 0.21 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2lfb s PRO 34 Cb -0.18 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2lfb s PRO 34 CO -0.04 -2.43 0.00 -1.13 0.04 0.00 0.00 177.00 173.44 2lfb n SER 35 N 11.47 0.00 0.00 6.66 3.41 -1.26 -4.96 113.62 128.95 2lfb n SER 35 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2lfb n SER 35 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.61 0.00 -0.32 4.33 3.00 -1.26 -4.87 118.16 118.43 2lfb n LYS 36 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2lfb n LYS 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 2lfb n LYS 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2lfb n GLU 37 N -1.12 -0.32 -0.11 1.64 0.00 -1.26 -1.54 120.64 117.93 2lfb n GLU 37 Ca 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 57.16 58.22 2lfb n GLU 37 Cb 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 31.44 29.68 2lfb n GLU 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2lfb h GLU 38 N 0.00 -0.25 -0.44 5.31 4.22 -1.97 0.26 114.58 121.71 2lfb h GLU 38 Ca 0.13 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.60 2lfb h GLU 38 Cb 0.32 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2lfb h GLU 38 CO -0.72 -0.16 0.29 0.00 -2.18 0.00 0.00 179.01 176.23 2lfb h ARG 39 N -0.25 0.57 -0.09 1.92 -0.00 -1.62 0.34 114.38 115.25 2lfb h ARG 39 Ca 0.05 -0.03 0.04 0.00 -0.50 0.00 0.00 59.98 59.54 2lfb h ARG 39 Cb 0.40 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 30.18 2lfb h ARG 39 CO -0.42 0.37 -0.42 0.93 0.00 0.00 0.00 179.97 180.43 2lfb h GLU 40 N 0.58 -0.50 -0.39 0.04 3.07 -0.63 0.11 114.58 116.85 2lfb h GLU 40 Ca 0.17 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.14 2lfb h GLU 40 Cb -0.05 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 27.90 2lfb h GLU 40 CO -0.05 -0.33 -0.14 1.15 -1.40 0.00 0.00 179.01 178.24 2lfb h THR 41 N -0.52 0.53 0.11 1.13 2.02 -0.58 -2.39 112.91 113.20 2lfb h THR 41 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2lfb h THR 41 Cb 0.64 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2lfb h THR 41 CO -0.37 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 175.72 2lfb h LEU 42 N -0.05 -0.12 -0.57 2.58 5.85 0.11 0.25 115.31 123.36 2lfb h LEU 42 Ca 0.19 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.94 2lfb h LEU 42 Cb 0.35 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 2lfb h LEU 42 CO -0.44 0.01 -0.21 0.58 -0.34 0.00 0.00 178.44 178.04 2lfb h VAL 43 N -0.24 0.32 0.48 1.05 2.07 -0.81 0.11 116.25 119.23 2lfb h VAL 43 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2lfb h VAL 43 Cb 0.20 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2lfb h VAL 43 CO 0.02 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.27 2lfb h GLU 44 N -0.07 -0.66 -0.72 1.57 4.57 -0.77 -0.30 114.58 118.20 2lfb h GLU 44 Ca 0.26 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.65 2lfb h GLU 44 Cb 0.49 0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 2lfb h GLU 44 CO -0.63 -0.44 -0.03 0.93 -1.18 0.00 0.00 179.01 177.66 2lfb h GLU 45 N -0.69 0.08 0.43 1.92 4.39 -0.37 0.22 114.58 120.56 2lfb h GLU 45 Ca -0.07 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2lfb h GLU 45 Cb 0.54 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2lfb h GLU 45 CO 0.09 0.05 -0.31 0.00 -1.16 0.00 0.00 179.01 177.68 2lfb h ASN 47 N -0.71 0.08 0.20 0.00 2.35 -0.26 0.49 115.58 117.73 2lfb h ASN 47 Ca -0.06 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2lfb h ASN 47 Cb 0.58 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 2lfb h ASN 47 CO 0.02 0.02 -0.37 -0.09 -1.65 0.00 0.00 177.43 175.37 2lfb h ARG 48 N 0.31 -0.62 -0.79 0.81 2.43 -0.44 0.27 114.38 116.36 2lfb h ARG 48 Ca 0.37 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 2lfb h ARG 48 Cb 0.57 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2lfb h ARG 48 CO -0.43 -0.42 0.41 0.00 -1.51 0.00 0.00 179.97 178.03 2lfb h ALA 49 N -0.12 1.24 0.00 2.80 0.00 -0.17 -2.31 119.26 120.71 2lfb h ALA 49 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2lfb h ALA 49 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2lfb h ALA 49 CO -0.17 0.60 -0.18 1.49 0.00 0.00 0.00 179.25 180.99 2lfb h GLU 50 N 1.11 0.00 0.19 0.00 4.57 0.77 -0.16 114.58 121.05 2lfb h GLU 50 Ca 0.28 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2lfb h GLU 50 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2lfb h GLU 50 CO -0.04 0.18 -0.09 0.00 -1.18 0.00 0.00 179.01 177.88 2lfb h ILE 52 N -0.33 1.22 -0.69 0.00 2.04 -0.93 0.19 117.51 119.01 2lfb h ILE 52 Ca -0.03 -0.74 0.20 0.00 1.00 0.00 0.00 64.86 65.30 2lfb h ILE 52 Cb 0.26 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2lfb h ILE 52 CO 0.04 0.27 0.60 0.06 0.00 0.00 0.00 178.15 179.12 2lfb h GLN 53 N 0.65 0.00 -0.27 2.37 3.07 -1.62 -1.85 115.11 117.46 2lfb h GLN 53 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.68 2lfb h GLN 53 Cb 0.26 0.00 -0.39 0.00 0.08 0.00 0.00 27.48 27.42 2lfb h GLN 53 CO -0.01 0.00 -1.08 0.54 0.09 0.00 0.00 178.83 178.37 2lfb n ARG 54 N -3.94 1.10 0.00 0.06 3.00 -0.47 -5.06 116.66 111.36 2lfb n ARG 54 Ca 0.14 -2.95 0.00 0.00 -0.01 0.00 0.00 57.85 55.03 2lfb n ARG 54 Cb 0.86 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 32.31 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 -0.19 0.86 1.34 -0.13 0.00 0.55 -4.93 105.19 102.69 2lfb n GLY 55 Ca 0.07 0.33 0.16 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.40 -2.40 1.61 0.31 -1.22 -4.01 118.33 112.22 2lfb n VAL 56 Ca 0.00 0.63 -0.43 0.00 -0.01 0.00 0.00 64.34 64.53 2lfb n VAL 56 Cb 0.00 -1.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 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 -6.83 6.48 0.32 4.52 0.01 -1.26 -4.92 113.70 112.01 2lfb s SER 57 Ca 0.00 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.19 2lfb s SER 57 Cb 0.00 -2.54 0.59 0.00 0.21 0.00 0.00 66.02 64.28 2lfb s SER 57 CO 0.00 -1.30 1.93 1.55 0.41 0.00 0.00 173.24 175.82 2lfb h PRO 58 N 10.09 0.92 -0.49 12.44 0.13 -1.98 0.29 132.00 153.40 2lfb h PRO 58 Ca -0.27 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.87 2lfb h PRO 58 Cb 1.10 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2lfb h PRO 58 CO 1.07 0.61 0.33 0.66 -0.23 0.00 0.00 178.00 180.44 2lfb h SER 59 N 0.95 0.35 -0.99 1.44 4.64 -1.98 -2.51 113.55 115.45 2lfb h SER 59 Ca 0.36 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.09 2lfb h SER 59 Cb 0.21 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 61.93 2lfb h SER 59 CO -0.13 0.22 0.77 1.67 -0.87 0.00 0.00 176.83 178.49 2lfb n GLN 60 N -4.47 2.46 0.23 4.77 7.27 0.10 -4.55 117.38 123.19 2lfb n GLN 60 Ca 0.07 -3.12 0.08 0.00 0.07 0.00 0.00 57.00 54.10 2lfb n GLN 60 Cb 0.27 -2.22 0.54 0.00 2.41 0.00 0.00 30.24 31.23 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 1.52 1.29 0.00 1.69 0.00 -1.37 0.19 119.26 122.57 2lfb h ALA 61 Ca 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2lfb h ALA 61 Cb 1.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 2lfb h ALA 61 CO 1.35 0.29 -0.01 -0.56 0.00 0.00 0.00 179.25 180.31 2lfb h GLN 62 N 0.00 0.00 -1.01 0.00 -0.00 -1.87 0.11 115.11 112.34 2lfb h GLN 62 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 2lfb h GLN 62 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.89 2lfb h GLN 62 CO 0.03 0.01 0.24 0.41 -0.00 0.00 0.00 178.83 179.53 2lfb n GLY 63 N -1.11 2.93 3.10 0.06 0.00 0.67 -4.75 105.19 106.09 2lfb n GLY 63 Ca -0.03 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.09 3.20 -3.19 0.99 7.99 0.02 -4.80 117.00 121.13 2lfb n LEU 64 Ca 0.22 -2.42 -0.31 0.00 -0.01 0.00 0.00 56.01 53.49 2lfb n LEU 64 Cb 0.93 -0.92 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 2lfb n LEU 64 CO 0.23 -0.64 2.91 0.61 -1.51 0.00 0.00 177.39 178.99 2lfb n GLY 65 N 4.47 3.74 0.97 -0.72 0.00 -1.26 -0.51 105.19 111.87 2lfb n GLY 65 Ca 0.44 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 3.75 0.00 0.00 1.61 2.88 -1.26 -5.00 113.62 115.60 2lfb n SER 66 Ca 0.64 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2lfb n SER 66 Cb 0.22 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.01 2.00 -3.65 -3.46 4.13 -0.41 -4.91 115.26 106.95 2lfb n ASN 67 Ca 0.00 0.00 -0.52 0.00 1.68 0.00 0.00 54.58 55.74 2lfb n ASN 67 Cb 0.00 0.37 -0.09 0.00 -1.54 0.00 0.00 39.78 38.52 2lfb n ASN 67 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2lfb n LEU 68 N -0.68 0.77 -4.71 3.41 7.94 0.33 -4.91 117.00 119.14 2lfb n LEU 68 Ca 0.00 0.73 -0.42 0.00 -1.11 0.00 0.00 56.01 55.21 2lfb n LEU 68 Cb 0.03 -0.73 -0.03 0.00 0.53 0.00 0.00 43.42 43.22 2lfb n LEU 68 CO 0.00 -0.65 0.74 -0.69 -1.11 0.00 0.00 177.39 175.67 2lfb s VAL 69 N 3.94 4.55 0.34 1.96 1.01 -1.26 -4.99 120.40 125.95 2lfb s VAL 69 Ca 0.94 1.88 0.09 0.00 0.00 0.00 0.00 61.98 64.89 2lfb s VAL 69 Cb -1.23 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 30.88 2lfb s VAL 69 CO 0.59 0.17 -0.09 0.42 0.00 0.00 0.00 175.10 176.19 2lfb s THR 70 N 0.83 2.18 0.36 3.92 -4.23 -1.26 -4.89 115.64 112.55 2lfb s THR 70 Ca 0.53 -2.20 0.12 0.00 -1.18 0.00 0.00 61.69 58.95 2lfb s THR 70 Cb -0.24 -2.61 0.34 0.00 1.34 0.00 0.00 72.50 71.33 2lfb s THR 70 CO 0.29 -0.22 1.82 -0.08 -0.54 0.00 0.00 174.62 175.90 2lfb h GLU 71 N 2.06 0.58 -0.16 3.99 4.81 -1.98 0.98 114.58 124.85 2lfb h GLU 71 Ca -0.42 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2lfb h GLU 71 Cb 1.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2lfb h GLU 71 CO 0.70 0.38 0.09 0.28 -0.73 0.00 0.00 179.01 179.73 2lfb h VAL 72 N 0.59 1.08 -0.69 0.32 2.07 -1.98 0.21 116.25 117.85 2lfb h VAL 72 Ca 0.51 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2lfb h VAL 72 Cb 1.01 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2lfb h VAL 72 CO -0.26 0.08 0.46 0.03 0.02 0.00 0.00 177.57 177.89 2lfb h ARG 73 N 0.18 0.91 -0.40 1.57 2.47 -1.30 -1.62 114.38 116.20 2lfb h ARG 73 Ca 0.06 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 2lfb h ARG 73 Cb 0.04 -0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.09 2lfb h ARG 73 CO -0.01 0.61 0.02 0.28 0.56 0.00 0.00 179.97 181.43 2lfb h VAL 74 N 0.94 0.73 -0.85 2.04 2.07 -0.66 -1.03 116.25 119.49 2lfb h VAL 74 Ca 0.25 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 67.91 2lfb h VAL 74 Cb -0.10 0.58 -0.11 0.00 -1.52 0.00 0.00 31.29 30.14 2lfb h VAL 74 CO -0.05 0.02 0.37 0.22 0.02 0.00 0.00 177.57 178.15 2lfb h TYR 75 N 0.13 0.63 0.40 1.57 5.03 0.31 -1.13 116.97 123.91 2lfb h TYR 75 Ca 0.19 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 2lfb h TYR 75 Cb 0.26 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2lfb h TYR 75 CO -0.25 0.02 -0.19 -0.91 -1.32 0.00 0.00 178.16 175.52 2lfb h ASN 76 N 0.45 -0.45 0.09 -2.11 -0.26 -0.31 0.18 115.58 113.16 2lfb h ASN 76 Ca 0.50 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 56.20 2lfb h ASN 76 Cb 0.87 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 2lfb h ASN 76 CO -0.47 -0.25 -0.04 4.11 -1.06 0.00 0.00 177.43 179.72 2lfb h TRP 77 N -0.63 -0.11 -0.59 1.19 5.08 -1.00 -1.76 115.95 118.13 2lfb h TRP 77 Ca -0.05 -0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.94 2lfb h TRP 77 Cb 0.47 0.04 -0.04 0.00 -3.00 0.00 0.00 29.16 26.62 2lfb h TRP 77 CO -0.03 -0.02 0.36 0.74 -1.28 0.00 0.00 178.44 178.21 2lfb h PHE 78 N -0.16 0.67 -0.76 0.12 0.04 -1.20 0.26 116.94 115.91 2lfb h PHE 78 Ca -0.01 0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.94 2lfb h PHE 78 Cb 0.13 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2lfb h PHE 78 CO -0.06 0.38 0.51 0.00 -0.60 0.00 0.00 178.31 178.54 2lfb h ALA 79 N 1.26 2.19 0.00 2.45 0.00 -0.37 0.99 119.26 125.78 2lfb h ALA 79 Ca 0.24 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2lfb h ALA 79 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2lfb h ALA 79 CO -0.10 -0.40 -0.64 -0.91 0.00 0.00 0.00 179.25 177.20 2lfb h ASN 80 N 0.36 0.00 -0.56 0.00 2.35 -0.23 -3.18 115.58 114.32 2lfb h ASN 80 Ca 0.38 -0.37 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2lfb h ASN 80 Cb 0.94 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.20 2lfb h ASN 80 CO -0.11 1.05 -0.30 -0.09 -1.65 0.00 0.00 177.43 176.33 2lfb h ARG 81 N -1.00 -0.14 -0.49 0.81 9.65 -0.42 0.68 114.38 123.47 2lfb h ARG 81 Ca -0.14 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 2lfb h ARG 81 Cb 0.83 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 2lfb h ARG 81 CO -0.08 -0.09 0.24 0.07 2.80 0.00 0.00 179.97 182.90 2lfb h ARG 82 N -0.15 0.70 -0.42 0.20 0.11 -0.99 -1.49 114.38 112.34 2lfb h ARG 82 Ca 0.24 -0.10 0.09 0.00 0.10 0.00 0.00 59.98 60.30 2lfb h ARG 82 Cb 0.53 -0.13 -0.08 0.00 1.11 0.00 0.00 29.97 31.40 2lfb h ARG 82 CO -0.65 0.58 -0.15 0.87 0.10 0.00 0.00 179.97 180.73 2lfb h LYS 83 N 0.64 -0.05 0.00 0.08 6.56 -1.24 0.18 116.57 122.74 2lfb h LYS 83 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2lfb h LYS 83 Cb 0.11 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2lfb h LYS 83 CO -0.02 -0.04 0.00 -1.91 -2.06 0.00 0.00 179.45 175.42 2lfb n GLU 84 N -5.35 0.03 -0.61 3.15 0.00 0.13 0.35 120.64 118.34 2lfb n GLU 84 Ca 0.03 0.23 0.06 0.00 0.00 0.00 0.00 57.16 57.48 2lfb n GLU 84 Cb 0.26 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.39 2lfb n GLU 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2lfb n GLU 85 N -1.47 1.47 0.07 5.31 2.13 0.18 -4.54 120.64 123.79 2lfb n GLU 85 Ca 0.04 -3.17 0.00 0.00 0.66 0.00 0.00 57.16 54.69 2lfb n GLU 85 Cb 0.16 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.05 0.67 0.25 4.31 0.00 0.40 -4.74 120.51 120.35 2lfb n ALA 86 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.45 2lfb n ALA 86 Cb 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 2lfb n ALA 86 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2lfb h PHE 87 N 0.00 -1.26 -0.74 0.00 -1.00 -0.27 0.22 116.94 113.88 2lfb h PHE 87 Ca 0.00 0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.92 2lfb h PHE 87 Cb 0.00 0.50 -0.13 0.00 3.61 0.00 0.00 35.95 39.92 2lfb h PHE 87 CO 0.00 -0.61 -0.32 -0.09 -1.61 0.00 0.00 178.31 175.69 2lfb h ARG 88 N -0.88 -0.08 -0.25 1.51 9.65 -1.63 0.00 114.38 122.70 2lfb h ARG 88 Ca -0.04 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2lfb h ARG 88 Cb 0.79 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2lfb h ARG 88 CO -0.10 -0.05 -0.15 0.45 2.80 0.00 0.00 179.97 182.92 2lfb h HIS 89 N -0.08 0.46 0.00 2.20 3.86 -1.61 -3.27 115.15 116.71 2lfb h HIS 89 Ca 0.30 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2lfb h HIS 89 Cb 0.57 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2lfb h HIS 89 CO -0.70 0.56 -0.20 0.87 0.86 0.00 0.00 177.93 179.33 2lfb h LYS 90 N 0.39 0.00 -6.96 2.45 1.79 0.45 -3.44 116.57 111.25 2lfb h LYS 90 Ca 0.07 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.00 2lfb h LYS 90 Cb 0.50 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.27 2lfb h LYS 90 CO 0.03 0.68 0.76 -0.48 -1.08 0.00 0.00 179.45 179.36 2lfb s LEU 91 N -8.26 4.25 0.00 2.94 0.05 -0.11 -0.99 118.68 116.55 2lfb s LEU 91 Ca -0.15 3.02 0.00 0.00 0.05 0.00 0.00 54.13 57.05 2lfb s LEU 91 Cb -0.01 -3.75 0.00 0.00 -2.05 0.00 0.00 46.19 40.38 2lfb s LEU 91 CO 0.47 -0.99 0.00 0.00 -0.55 0.00 0.00 176.35 175.29 2lfb n ALA 92 N 0.23 -0.66 -1.11 1.48 0.00 -1.26 -4.83 120.51 114.36 2lfb n ALA 92 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 2lfb n ALA 92 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.08 -0.77 0.03 0.00 0.00 -1.26 -4.72 117.12 110.32 2lfb n MET 93 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 57.70 58.17 2lfb n MET 93 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 33.22 29.00 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 -0.03 0.58 -1.30 3.17 2.03 -1.19 -5.16 116.55 114.65 2lfb n ASP 94 Ca -0.04 0.10 0.04 0.00 0.52 0.00 0.00 54.79 55.41 2lfb n ASP 94 Cb 0.25 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 2lfb n ASP 94 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2lfb n THR 95 N -3.07 -1.43 -4.09 5.18 -2.24 -0.16 -4.98 114.28 103.48 2lfb n THR 95 Ca 0.00 0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 62.48 2lfb n THR 95 Cb 0.00 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 66.83 2lfb n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2lfb n TYR 96 N -2.99 -0.93 0.01 4.78 9.36 -1.26 -4.91 117.16 121.21 2lfb n TYR 96 Ca -0.02 -2.04 -0.10 0.00 3.32 0.00 0.00 57.90 59.06 2lfb n TYR 96 Cb 0.37 0.33 -0.03 0.00 -0.63 0.00 0.00 39.34 39.38 2lfb n TYR 96 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 2lfb h LYS 97 N 0.00 -0.23 -4.41 2.98 3.11 -2.03 -3.47 116.57 112.51 2lfb h LYS 97 Ca -0.20 0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.43 2lfb h LYS 97 Cb 0.94 0.05 0.11 0.00 -1.00 0.00 0.00 32.23 32.34 2lfb h LYS 97 CO 0.28 -0.16 -0.51 -0.11 -2.81 0.00 0.00 179.45 176.15 2lfb n LEU 98 N -5.33 -3.33 0.00 5.20 7.94 -1.26 -5.25 117.00 114.97 2lfb n LEU 98 Ca -0.03 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.46 2lfb n LEU 98 Cb 0.24 -2.24 0.00 0.00 0.53 0.00 0.00 43.42 41.95 2lfb n LEU 98 CO 0.21 0.26 0.00 0.59 -1.11 0.00 0.00 177.39 177.34