#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 -1.16 -0.89 -5.12 0.00 -1.26 -4.75 120.51 107.33 2lfb n ALA 1 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2lfb n ALA 1 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 2lfb n ALA 1 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2lfb n ARG 2 N -2.19 -1.99 0.24 0.00 0.00 -1.26 -4.63 116.66 106.83 2lfb n ARG 2 Ca -0.05 1.56 -0.14 0.00 -0.00 0.00 0.00 57.85 59.23 2lfb n ARG 2 Cb 0.55 -2.35 -0.07 0.00 0.00 0.00 0.00 32.46 30.59 2lfb n ARG 2 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 2lfb h ILE 3 N -0.86 0.37 -1.99 5.15 -0.00 -2.04 -3.43 117.51 114.70 2lfb h ILE 3 Ca -0.09 -0.47 -0.63 0.00 -0.00 0.00 0.00 64.86 63.68 2lfb h ILE 3 Cb 0.84 0.52 0.02 0.00 -0.00 0.00 0.00 36.82 38.20 2lfb h ILE 3 CO 0.04 0.06 1.08 -0.67 -0.00 0.00 0.00 178.15 178.66 2lfb n ASP 4 N -5.25 3.36 -3.53 2.16 2.03 -1.26 -4.84 116.55 109.22 2lfb n ASP 4 Ca -0.10 0.98 -0.41 0.00 0.52 0.00 0.00 54.79 55.78 2lfb n ASP 4 Cb 0.31 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 39.34 2lfb n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2lfb n PRO 5 N 6.54 3.26 -1.19 -0.67 -0.04 -1.26 -4.70 135.00 136.93 2lfb n PRO 5 Ca 0.23 -2.41 -0.32 0.00 -0.04 0.00 0.00 63.50 60.96 2lfb n PRO 5 Cb 0.28 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 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 4.38 3.88 0.06 0.52 -1.04 -1.26 -4.49 114.28 116.34 2lfb n THR 6 Ca 0.65 -2.26 -0.03 0.00 -2.04 0.00 0.00 64.05 60.37 2lfb n THR 6 Cb 0.31 -2.45 -0.01 0.00 -1.82 0.00 0.00 70.33 66.36 2lfb n THR 6 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2lfb h LYS 7 N 4.73 -0.19 -6.51 -2.82 1.63 -1.89 -3.39 116.57 108.13 2lfb h LYS 7 Ca 0.71 0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.99 2lfb h LYS 7 Cb 0.51 0.04 0.03 0.00 -0.60 0.00 0.00 32.23 32.20 2lfb h LYS 7 CO 1.45 -0.12 0.87 0.21 -3.45 0.00 0.00 179.45 178.41 2lfb s LYS 8 N -2.24 4.25 0.00 1.90 2.47 -1.26 -4.95 119.74 119.90 2lfb s LYS 8 Ca -0.03 2.23 0.00 0.00 -1.56 0.00 0.00 55.97 56.61 2lfb s LYS 8 Cb 0.00 -3.37 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 2lfb s LYS 8 CO 0.09 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 175.41 2lfb n GLY 9 N 3.75 2.17 3.49 5.54 0.00 -1.26 -5.08 105.19 113.79 2lfb n GLY 9 Ca 0.14 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2lfb n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2lfb s ARG 10 N 2.70 3.16 1.32 1.61 6.06 -1.26 -5.05 118.95 127.49 2lfb s ARG 10 Ca 0.00 -0.64 -0.20 0.00 -2.50 0.00 0.00 55.73 52.38 2lfb s ARG 10 Cb 0.00 -3.98 0.33 0.00 0.06 0.00 0.00 34.95 31.36 2lfb s ARG 10 CO 0.00 -0.96 0.99 0.50 -2.50 0.00 0.00 175.30 173.33 2lfb s ARG 11 N 2.44 -2.14 -0.88 5.12 3.52 -1.26 -3.73 118.95 122.01 2lfb s ARG 11 Ca 0.16 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2lfb s ARG 11 Cb -0.16 -1.46 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 2lfb s ARG 11 CO 0.15 -4.38 0.00 -1.71 -0.81 0.00 0.00 175.30 168.56 2lfb n ASN 12 N -5.29 -5.31 -0.03 -2.12 5.15 -1.26 -4.83 115.26 101.58 2lfb n ASN 12 Ca 0.11 0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 54.18 2lfb n ASN 12 Cb 0.59 -3.54 -0.05 0.00 -0.53 0.00 0.00 39.78 36.25 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 0.09 0.21 -6.55 1.20 -0.00 -1.99 -3.40 114.38 103.95 2lfb h ARG 13 Ca -0.17 -0.03 -0.53 0.00 -0.00 0.00 0.00 59.98 59.26 2lfb h ARG 13 Cb 0.98 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 2lfb h ARG 13 CO 0.25 0.23 0.52 0.12 -0.00 0.00 0.00 179.97 181.09 2lfb s PHE 14 N -5.85 3.50 0.33 4.08 2.19 -1.26 -4.98 117.98 115.99 2lfb s PHE 14 Ca -0.13 1.43 0.04 0.00 0.33 0.00 0.00 56.93 58.60 2lfb s PHE 14 Cb 0.07 -3.36 -0.07 0.00 -1.31 0.00 0.00 43.02 38.36 2lfb s PHE 14 CO 0.69 -0.99 0.05 -1.59 1.83 0.00 0.00 175.22 175.21 2lfb s LYS 15 N 0.50 1.68 0.08 10.12 0.00 -1.26 -5.14 119.74 125.72 2lfb s LYS 15 Ca 0.55 -1.93 -0.01 0.00 0.00 0.00 0.00 55.97 54.57 2lfb s LYS 15 Cb -0.29 -0.98 0.02 0.00 0.00 0.00 0.00 37.83 36.58 2lfb s LYS 15 CO 0.32 -0.16 0.08 0.91 0.00 0.00 0.00 175.35 176.50 2lfb n TRP 16 N -0.72 -3.33 -3.88 1.78 7.02 -1.26 -4.95 117.44 112.10 2lfb n TRP 16 Ca -0.03 -0.07 -0.11 0.00 -1.02 0.00 0.00 57.50 56.27 2lfb n TRP 16 Cb 0.66 -0.07 -0.01 0.00 -2.42 0.00 0.00 31.31 29.47 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 2.70 1.81 3.80 6.99 0.00 -1.26 -5.12 105.19 114.12 2lfb n GLY 17 Ca 0.01 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.47 2.72 0.00 1.61 0.04 -1.26 -2.91 135.00 132.73 2lfb s PRO 18 Ca 0.21 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2lfb s PRO 18 Cb -0.02 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2lfb s PRO 18 CO 0.15 -1.28 0.00 0.00 0.04 0.00 0.00 177.00 175.92 2lfb n ALA 19 N -3.22 0.00 -0.29 8.56 0.00 -1.26 -4.42 120.51 119.88 2lfb n ALA 19 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 2lfb n ALA 19 Cb 0.53 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.24 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 2.26 -0.08 0.05 0.00 7.64 -1.25 -1.23 113.62 121.01 2lfb n SER 20 Ca 0.00 1.44 -0.11 0.00 1.01 0.00 0.00 58.87 61.21 2lfb n SER 20 Cb 0.00 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 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 -0.33 -0.22 1.43 1.08 -1.74 0.19 115.11 115.52 2lfb h GLN 21 Ca 0.52 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.79 2lfb h GLN 21 Cb 1.10 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 2lfb h GLN 21 CO -0.79 -0.22 -0.03 0.37 -0.95 0.00 0.00 178.83 177.20 2lfb h GLN 22 N -0.34 0.02 -0.47 1.46 5.75 -1.53 -1.50 115.11 118.50 2lfb h GLN 22 Ca 0.07 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2lfb h GLN 22 Cb 0.44 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2lfb h GLN 22 CO -0.22 0.02 0.29 0.82 -2.65 0.00 0.00 178.83 177.08 2lfb h ILE 23 N 0.02 1.07 -0.36 2.39 2.04 -0.46 0.39 117.51 122.60 2lfb h ILE 23 Ca 0.10 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.84 2lfb h ILE 23 Cb 0.15 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 2lfb h ILE 23 CO -0.21 0.11 -0.18 -0.07 0.00 0.00 0.00 178.15 177.80 2lfb h LEU 24 N 0.58 -0.61 -1.52 1.44 3.38 -0.42 -0.53 115.31 117.63 2lfb h LEU 24 Ca 0.18 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2lfb h LEU 24 Cb -0.01 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2lfb h LEU 24 CO -0.07 -0.22 0.32 -0.26 0.09 0.00 0.00 178.44 178.31 2lfb h PHE 25 N -0.12 0.61 -0.90 1.13 0.04 -0.06 -1.75 116.94 115.89 2lfb h PHE 25 Ca 0.18 0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.06 2lfb h PHE 25 Cb 0.40 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 2lfb h PHE 25 CO -0.40 0.38 0.58 -0.56 -0.60 0.00 0.00 178.31 177.71 2lfb h GLN 26 N 0.66 0.90 0.00 1.51 3.07 0.14 0.87 115.11 122.25 2lfb h GLN 26 Ca 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 2lfb h GLN 26 Cb -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.28 2lfb h GLN 26 CO -0.04 0.59 -0.00 0.00 0.09 0.00 0.00 178.83 179.47 2lfb h ALA 27 N 1.54 -0.00 -0.87 0.06 0.00 -1.40 -3.34 119.26 115.26 2lfb h ALA 27 Ca 0.41 -0.30 0.19 0.00 0.00 0.00 0.00 54.91 55.22 2lfb h ALA 27 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2lfb h ALA 27 CO -0.17 -0.00 0.58 -0.92 0.00 0.00 0.00 179.25 178.73 2lfb h TYR 28 N -1.00 0.50 0.00 0.00 5.03 -0.55 0.34 116.97 121.29 2lfb h TYR 28 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2lfb h TYR 28 Cb 0.60 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.72 2lfb h TYR 28 CO 0.17 0.15 0.00 -1.91 -1.32 0.00 0.00 178.16 175.24 2lfb n GLU 29 N -4.49 0.00 0.00 1.82 2.13 0.23 -4.37 120.64 115.95 2lfb n GLU 29 Ca 0.18 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.81 2lfb n GLU 29 Cb 0.67 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.93 2lfb n GLU 29 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2lfb n ARG 30 N -2.53 0.00 -5.27 5.31 1.74 0.87 -4.92 116.66 111.86 2lfb n ARG 30 Ca 0.00 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2lfb n ARG 30 Cb 0.00 -0.71 -0.16 0.00 -1.02 0.00 0.00 32.46 30.56 2lfb n ARG 30 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2lfb s GLN 31 N -0.46 2.54 -0.33 5.56 -2.07 0.67 -5.00 119.66 120.57 2lfb s GLN 31 Ca 0.00 -0.91 0.15 0.00 -1.82 0.00 0.00 55.36 52.79 2lfb s GLN 31 Cb 0.00 -2.16 0.46 0.00 -1.09 0.00 0.00 33.01 30.22 2lfb s GLN 31 CO 0.00 0.39 1.04 0.36 -1.32 0.00 0.00 175.29 175.76 2lfb n LYS 32 N 2.94 2.00 -3.44 9.60 0.00 -1.26 -3.69 118.16 124.30 2lfb n LYS 32 Ca -0.17 -3.67 -0.28 0.00 -0.00 0.00 0.00 58.31 54.19 2lfb n LYS 32 Cb 0.52 -1.64 -0.11 0.00 -0.00 0.00 0.00 35.03 33.80 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 -3.41 2.18 -1.07 -5.58 0.01 -1.26 -5.07 114.94 100.74 2lfb s ASN 33 Ca 0.34 -2.72 -0.23 0.00 -0.71 0.00 0.00 52.86 49.54 2lfb s ASN 33 Cb 0.41 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.58 2lfb s ASN 33 CO -0.03 -0.23 1.82 -2.16 -1.51 0.00 0.00 177.10 175.00 2lfb s PRO 34 N 0.44 2.94 0.00 -0.60 0.04 -1.26 -4.74 135.00 131.82 2lfb s PRO 34 Ca 0.26 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.34 2lfb s PRO 34 Cb -0.08 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2lfb s PRO 34 CO -0.11 -3.18 0.00 0.43 0.04 0.00 0.00 177.00 174.18 2lfb n SER 35 N 12.35 0.00 0.00 6.66 7.64 -1.26 -5.10 113.62 133.92 2lfb n SER 35 Ca 0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2lfb n SER 35 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2lfb n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2lfb n LYS 36 N -0.08 0.00 -0.27 1.43 4.76 -1.26 -4.98 118.16 117.76 2lfb n LYS 36 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2lfb n LYS 36 Cb 0.00 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.28 2lfb n LYS 36 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2lfb h GLU 37 N 0.00 0.00 0.00 1.97 4.39 -1.98 -2.85 114.58 116.10 2lfb h GLU 37 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2lfb h GLU 37 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2lfb h GLU 37 CO 0.00 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.94 2lfb n GLU 38 N -5.51 0.00 -0.04 2.33 2.13 -1.26 0.11 120.64 118.40 2lfb n GLU 38 Ca 0.11 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 2lfb n GLU 38 Cb 0.40 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.99 2lfb n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2lfb h ARG 39 N 0.00 0.09 -0.39 5.31 3.08 -1.90 0.47 114.38 121.04 2lfb h ARG 39 Ca 0.00 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.04 2lfb h ARG 39 Cb 0.00 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 2lfb h ARG 39 CO 0.00 0.87 -0.24 0.93 -1.07 0.00 0.00 179.97 180.46 2lfb h GLU 40 N -0.65 -0.17 -0.38 0.04 5.08 -0.78 0.20 114.58 117.92 2lfb h GLU 40 Ca -0.02 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2lfb h GLU 40 Cb 0.92 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 2lfb h GLU 40 CO 0.03 -0.11 -0.39 1.15 -1.00 0.00 0.00 179.01 178.68 2lfb h THR 41 N -0.17 0.00 -0.85 1.13 2.02 -0.41 -2.52 112.91 112.11 2lfb h THR 41 Ca 0.19 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.40 2lfb h THR 41 Cb 0.47 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 2lfb h THR 41 CO -0.49 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 175.87 2lfb h LEU 42 N -0.21 0.90 -0.49 2.58 3.38 0.68 0.02 115.31 122.18 2lfb h LEU 42 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2lfb h LEU 42 Cb 0.38 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2lfb h LEU 42 CO -0.47 0.62 0.23 0.58 0.09 0.00 0.00 178.44 179.49 2lfb h VAL 43 N 1.06 1.19 0.20 1.22 2.07 -0.67 0.14 116.25 121.45 2lfb h VAL 43 Ca 0.34 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2lfb h VAL 43 Cb 0.01 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2lfb h VAL 43 CO -0.12 0.21 -0.43 -0.08 0.02 0.00 0.00 177.57 177.17 2lfb h GLU 44 N 0.64 -0.66 -0.30 1.57 4.22 -0.59 0.13 114.58 119.59 2lfb h GLU 44 Ca 0.17 0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.70 2lfb h GLU 44 Cb 0.12 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2lfb h GLU 44 CO -0.02 -0.44 0.01 0.93 -2.18 0.00 0.00 179.01 177.31 2lfb h GLU 45 N -0.69 0.10 -0.36 1.92 4.39 -1.12 -0.30 114.58 118.53 2lfb h GLU 45 Ca -0.02 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.75 2lfb h GLU 45 Cb 0.66 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 2lfb h GLU 45 CO -0.18 0.07 -0.17 0.00 -1.16 0.00 0.00 179.01 177.57 2lfb h ASN 47 N -0.11 1.10 0.36 0.00 2.35 0.24 0.43 115.58 119.94 2lfb h ASN 47 Ca 0.18 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2lfb h ASN 47 Cb 0.39 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2lfb h ASN 47 CO -0.43 1.02 -0.44 -0.09 -1.65 0.00 0.00 177.43 175.85 2lfb h ARG 48 N 1.11 -0.80 -0.97 0.81 9.65 -0.55 0.22 114.38 123.85 2lfb h ARG 48 Ca 0.24 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.28 2lfb h ARG 48 Cb 0.33 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.01 2lfb h ARG 48 CO -0.00 -0.53 0.60 0.00 2.80 0.00 0.00 179.97 182.83 2lfb h ALA 49 N -0.50 1.42 -0.47 2.80 0.00 -0.58 -0.47 119.26 121.46 2lfb h ALA 49 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2lfb h ALA 49 Cb 0.76 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2lfb h ALA 49 CO -0.11 0.24 -0.12 1.49 0.00 0.00 0.00 179.25 180.75 2lfb h GLU 50 N 0.99 0.87 -0.62 0.00 4.57 0.27 -1.40 114.58 119.26 2lfb h GLU 50 Ca 0.46 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 2lfb h GLU 50 Cb 0.40 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2lfb h GLU 50 CO -0.24 0.94 0.34 0.00 -1.18 0.00 0.00 179.01 178.87 2lfb h ILE 52 N 0.64 1.25 -0.75 0.00 2.04 -0.22 0.70 117.51 121.18 2lfb h ILE 52 Ca 0.27 -0.88 0.18 0.00 1.00 0.00 0.00 64.86 65.44 2lfb h ILE 52 Cb 0.15 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2lfb h ILE 52 CO -0.17 0.34 0.51 1.56 0.00 0.00 0.00 178.15 180.40 2lfb h GLN 53 N 1.03 0.22 0.00 2.37 4.20 -0.65 -2.93 115.11 119.35 2lfb h GLN 53 Ca 0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2lfb h GLN 53 Cb 0.29 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2lfb h GLN 53 CO -0.01 0.15 -0.42 2.89 -0.67 0.00 0.00 178.83 180.77 2lfb n ARG 54 N -4.42 0.37 0.00 1.46 1.85 -0.87 -5.04 116.66 110.01 2lfb n ARG 54 Ca 0.15 -1.55 0.00 0.00 -1.00 0.00 0.00 57.85 55.45 2lfb n ARG 54 Cb 0.66 -0.75 0.00 0.00 -1.05 0.00 0.00 32.46 31.32 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2lfb n GLY 55 N -0.36 0.98 1.41 2.89 0.00 0.24 -4.94 105.19 105.41 2lfb n GLY 55 Ca 0.05 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.73 -2.50 1.61 0.31 -1.22 -4.34 118.33 111.47 2lfb n VAL 56 Ca 0.00 0.82 -0.42 0.00 -0.01 0.00 0.00 64.34 64.73 2lfb n VAL 56 Cb 0.00 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 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 -7.13 7.10 0.40 4.52 0.01 -1.26 -4.94 113.70 112.40 2lfb s SER 57 Ca 0.00 1.79 0.07 0.00 1.31 0.00 0.00 55.95 59.12 2lfb s SER 57 Cb 0.00 -2.56 0.84 0.00 0.21 0.00 0.00 66.02 64.50 2lfb s SER 57 CO 0.00 -0.54 2.03 1.55 0.41 0.00 0.00 173.24 176.69 2lfb h PRO 58 N 7.31 0.59 -0.12 12.44 0.13 -2.00 0.14 132.00 150.49 2lfb h PRO 58 Ca -0.35 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2lfb h PRO 58 Cb 1.17 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2lfb h PRO 58 CO 0.86 0.39 0.00 -1.13 -0.23 0.00 0.00 178.00 177.89 2lfb n SER 59 N -4.47 1.93 -2.59 1.44 3.41 -1.26 -4.19 113.62 107.89 2lfb n SER 59 Ca 0.06 -1.69 -0.22 0.00 -0.26 0.00 0.00 58.87 56.75 2lfb n SER 59 Cb 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.50 2.79 0.28 4.33 1.13 0.49 -4.75 117.38 122.15 2lfb n GLN 60 Ca 0.17 -4.21 0.18 0.00 -1.94 0.00 0.00 57.00 51.20 2lfb n GLN 60 Cb 0.40 -1.99 0.81 0.00 0.11 0.00 0.00 30.24 29.56 2lfb n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2lfb h ALA 61 N 2.73 1.00 -1.08 -1.58 0.00 -1.72 0.12 119.26 118.73 2lfb h ALA 61 Ca 0.18 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.39 2lfb h ALA 61 Cb 0.94 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2lfb h ALA 61 CO 0.75 0.00 0.73 -0.56 0.00 0.00 0.00 179.25 180.18 2lfb h GLN 62 N 0.00 0.22 0.00 0.00 -0.00 -1.91 -1.80 115.11 111.61 2lfb h GLN 62 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2lfb h GLN 62 Cb 0.34 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2lfb h GLN 62 CO 0.00 0.14 -0.02 0.78 -0.00 0.00 0.00 178.83 179.73 2lfb h GLY 63 N 0.22 0.00 -0.99 0.06 0.00 -1.11 -3.18 103.07 98.06 2lfb h GLY 63 Ca 0.58 0.00 0.35 0.00 0.00 0.00 0.00 47.33 48.26 2lfb h GLY 63 CO -0.18 0.00 0.29 1.41 0.00 0.00 0.00 176.54 178.06 2lfb h LEU 64 N 0.00 -0.07 0.00 3.11 -0.00 -1.48 -3.43 115.31 113.43 2lfb h LEU 64 Ca -0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 2lfb h LEU 64 Cb 0.17 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2lfb h LEU 64 CO 0.00 -0.40 0.00 0.61 -0.00 0.00 0.00 178.44 178.65 2lfb n GLY 65 N -1.38 1.18 0.18 0.83 0.00 -1.21 -3.27 105.19 101.53 2lfb n GLY 65 Ca 0.31 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.30 0.14 1.61 0.87 -1.94 -3.34 113.55 110.59 2lfb h SER 66 Ca 0.00 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 2lfb h SER 66 Cb 0.00 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2lfb h SER 66 CO 0.00 0.19 -0.28 0.78 -0.53 0.00 0.00 176.83 176.99 2lfb h ASN 67 N -1.04 0.22 -0.33 6.23 -0.26 -1.92 -3.42 115.58 115.06 2lfb h ASN 67 Ca -0.04 -0.07 -0.73 0.00 -0.56 0.00 0.00 56.30 54.90 2lfb h ASN 67 Cb 0.39 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2lfb h ASN 67 CO 0.06 0.51 0.99 -0.11 -1.06 0.00 0.00 177.43 177.82 2lfb n LEU 68 N -4.14 0.83 -4.67 1.61 7.94 -1.26 -4.89 117.00 112.42 2lfb n LEU 68 Ca -0.01 0.78 -0.42 0.00 -1.11 0.00 0.00 56.01 55.25 2lfb n LEU 68 Cb 0.38 -0.81 -0.03 0.00 0.53 0.00 0.00 43.42 43.48 2lfb n LEU 68 CO 0.40 -0.72 0.69 -0.69 -1.11 0.00 0.00 177.39 175.95 2lfb s VAL 69 N 4.47 4.83 0.33 1.96 1.01 -1.26 -4.92 120.40 126.82 2lfb s VAL 69 Ca 1.04 1.76 0.08 0.00 0.00 0.00 0.00 61.98 64.86 2lfb s VAL 69 Cb -1.36 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 30.79 2lfb s VAL 69 CO 0.65 -0.01 0.18 0.42 0.00 0.00 0.00 175.10 176.35 2lfb s THR 70 N 2.29 3.25 0.19 3.92 -4.23 -1.26 -4.92 115.64 114.88 2lfb s THR 70 Ca 0.41 -1.59 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 2lfb s THR 70 Cb -0.17 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.77 2lfb s THR 70 CO 0.12 -0.19 1.59 1.05 -0.54 0.00 0.00 174.62 176.65 2lfb h GLU 71 N 1.47 -0.14 -0.93 3.99 4.11 -1.96 0.36 114.58 121.48 2lfb h GLU 71 Ca -0.44 0.01 0.24 0.00 0.07 0.00 0.00 59.36 59.23 2lfb h GLU 71 Cb 1.25 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 2lfb h GLU 71 CO 0.62 -0.09 0.63 -0.24 0.07 0.00 0.00 179.01 180.00 2lfb h VAL 72 N -0.14 0.60 0.41 -1.06 3.04 -1.97 0.16 116.25 117.29 2lfb h VAL 72 Ca 0.25 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.83 2lfb h VAL 72 Cb 0.54 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2lfb h VAL 72 CO -0.68 0.05 -0.20 0.03 -1.01 0.00 0.00 177.57 175.76 2lfb h ARG 73 N 0.26 -0.53 -0.44 4.17 2.47 -1.32 0.56 114.38 119.55 2lfb h ARG 73 Ca 0.48 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 59.20 2lfb h ARG 73 Cb 1.44 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.86 2lfb h ARG 73 CO -0.14 -0.24 0.14 -0.24 0.56 0.00 0.00 179.97 180.05 2lfb h VAL 74 N -0.79 1.22 -0.75 2.04 3.04 -1.05 0.11 116.25 120.07 2lfb h VAL 74 Ca -0.06 -0.72 0.13 0.00 -1.01 0.00 0.00 66.70 65.05 2lfb h VAL 74 Cb 0.54 0.86 -0.13 0.00 -2.01 0.00 0.00 31.29 30.54 2lfb h VAL 74 CO 0.09 0.26 -0.34 0.22 -1.01 0.00 0.00 177.57 176.79 2lfb h TYR 75 N 0.57 -0.92 -0.07 3.17 5.03 -0.77 -1.07 116.97 122.91 2lfb h TYR 75 Ca 0.14 0.08 -0.13 0.00 2.58 0.00 0.00 58.73 61.41 2lfb h TYR 75 Cb 0.25 0.51 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 2lfb h TYR 75 CO 0.01 -0.39 -0.54 -2.95 -1.32 0.00 0.00 178.16 172.98 2lfb h ASN 76 N -0.09 0.22 0.18 -2.11 7.08 0.12 -0.06 115.58 120.92 2lfb h ASN 76 Ca 0.29 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 2lfb h ASN 76 Cb 0.57 -0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.74 2lfb h ASN 76 CO -0.80 0.72 -0.15 4.11 -2.08 0.00 0.00 177.43 179.23 2lfb h TRP 77 N 0.15 -0.39 -0.08 4.14 5.08 0.35 0.63 115.95 125.83 2lfb h TRP 77 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.01 2lfb h TRP 77 Cb 1.00 0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 27.27 2lfb h TRP 77 CO 0.02 -0.23 -0.15 0.74 -1.28 0.00 0.00 178.44 177.54 2lfb h PHE 78 N -0.34 -0.38 -0.58 0.12 0.04 -1.07 0.74 116.94 115.46 2lfb h PHE 78 Ca -0.00 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.89 2lfb h PHE 78 Cb 0.31 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 2lfb h PHE 78 CO -0.12 -0.22 0.39 0.00 -0.60 0.00 0.00 178.31 177.76 2lfb h ALA 79 N 0.80 2.07 0.00 2.45 0.00 -0.68 0.24 119.26 124.15 2lfb h ALA 79 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2lfb h ALA 79 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2lfb h ALA 79 CO -0.20 -0.21 -0.03 -0.91 0.00 0.00 0.00 179.25 177.90 2lfb h ASN 80 N 0.35 0.02 -0.89 0.00 2.35 -0.11 -3.31 115.58 113.99 2lfb h ASN 80 Ca 0.27 -0.97 0.24 0.00 -0.55 0.00 0.00 56.30 55.29 2lfb h ASN 80 Cb 0.59 -0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.81 2lfb h ASN 80 CO -0.07 0.98 0.23 0.03 -1.65 0.00 0.00 177.43 176.96 2lfb h ARG 81 N -0.95 0.19 -0.86 0.81 2.47 -0.36 0.76 114.38 116.44 2lfb h ARG 81 Ca -0.00 -0.01 0.22 0.00 -1.26 0.00 0.00 59.98 58.93 2lfb h ARG 81 Cb 0.99 -0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 29.12 2lfb h ARG 81 CO 0.01 0.13 0.15 0.00 0.56 0.00 0.00 179.97 180.81 2lfb h ARG 82 N 0.20 0.15 0.01 0.04 2.47 -1.05 0.17 114.38 116.36 2lfb h ARG 82 Ca 0.56 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.27 2lfb h ARG 82 Cb 1.14 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2lfb h ARG 82 CO -0.67 0.10 -0.01 0.87 0.56 0.00 0.00 179.97 180.82 2lfb h LYS 83 N 0.15 -0.01 -0.89 0.04 6.56 -1.00 0.11 116.57 121.52 2lfb h LYS 83 Ca 0.52 0.00 0.27 0.00 -1.06 0.00 0.00 60.65 60.39 2lfb h LYS 83 Cb 1.04 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.54 2lfb h LYS 83 CO -0.70 0.73 0.12 -1.91 -2.06 0.00 0.00 179.45 175.64 2lfb n GLU 84 N -4.73 -0.07 -0.05 3.15 2.13 -0.81 -0.64 120.64 119.62 2lfb n GLU 84 Ca -0.09 1.30 -0.01 0.00 0.66 0.00 0.00 57.16 59.02 2lfb n GLU 84 Cb 0.37 -2.13 -0.01 0.00 0.27 0.00 0.00 31.44 29.94 2lfb n GLU 84 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2lfb h GLU 85 N 0.00 0.00 -0.58 5.31 4.81 -0.71 -3.24 114.58 120.17 2lfb h GLU 85 Ca 0.59 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.93 2lfb h GLU 85 Cb 1.31 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.61 2lfb h GLU 85 CO -0.80 0.03 0.12 0.00 -0.73 0.00 0.00 179.01 177.63 2lfb h ALA 86 N -0.98 0.68 0.24 2.92 0.00 -0.24 0.20 119.26 122.08 2lfb h ALA 86 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2lfb h ALA 86 Cb 0.11 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2lfb h ALA 86 CO -0.00 -0.31 -0.45 0.74 0.00 0.00 0.00 179.25 179.23 2lfb h PHE 87 N 0.25 -1.28 -0.90 0.00 0.04 -1.06 -2.75 116.94 111.25 2lfb h PHE 87 Ca 0.30 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.17 2lfb h PHE 87 Cb 0.45 0.53 -0.07 0.00 2.20 0.00 0.00 35.95 39.05 2lfb h PHE 87 CO -0.25 -0.54 0.56 -0.09 -0.60 0.00 0.00 178.31 177.39 2lfb h ARG 88 N -0.74 0.95 -0.03 1.51 9.65 -1.23 -1.96 114.38 122.54 2lfb h ARG 88 Ca -0.03 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2lfb h ARG 88 Cb 0.69 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2lfb h ARG 88 CO -0.17 0.63 0.02 0.45 2.80 0.00 0.00 179.97 183.70 2lfb h HIS 89 N 0.98 0.00 0.00 2.20 3.86 -0.43 0.35 115.15 122.11 2lfb h HIS 89 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2lfb h HIS 89 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2lfb h HIS 89 CO -0.03 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.93 2lfb n LYS 90 N -4.34 0.13 0.09 2.45 3.00 -0.74 -4.65 118.16 114.10 2lfb n LYS 90 Ca -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2lfb n LYS 90 Cb 0.12 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.36 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 -2.03 -1.56 -1.58 3.14 -0.00 -0.58 -5.05 117.00 109.34 2lfb n LEU 91 Ca 0.01 0.37 -0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2lfb n LEU 91 Cb 0.15 1.71 -0.08 0.00 -0.00 0.00 0.00 43.42 45.20 2lfb n LEU 91 CO 0.14 -0.11 -0.18 0.00 -0.00 0.00 0.00 177.39 177.23 2lfb n ALA 92 N -2.83 -0.30 -3.14 1.47 0.00 0.11 -4.83 120.51 110.99 2lfb n ALA 92 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 2lfb n ALA 92 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 2lfb n ALA 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2lfb n MET 93 N -2.29 2.22 -3.08 0.00 0.00 -1.26 -4.95 117.12 107.76 2lfb n MET 93 Ca -0.19 -4.26 0.04 0.00 -0.00 0.00 0.00 57.70 53.29 2lfb n MET 93 Cb 0.63 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.87 2lfb n MET 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2lfb s ASP 94 N -2.72 -0.71 0.00 6.12 2.15 -1.26 -5.05 116.67 115.20 2lfb s ASP 94 Ca 0.43 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.38 2lfb s ASP 94 Cb 0.25 1.31 0.00 0.00 -0.30 0.00 0.00 42.92 44.18 2lfb s ASP 94 CO -0.09 -0.12 0.00 0.35 -0.17 0.00 0.00 175.17 175.14 2lfb n THR 95 N 4.85 0.00 0.00 1.71 -2.24 -1.26 -4.94 114.28 112.40 2lfb n THR 95 Ca 0.08 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 2lfb n THR 95 Cb 0.58 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.69 -1.14 1.12 4.78 4.11 -1.26 -4.42 117.16 118.66 2lfb n TYR 96 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.03 2lfb n TYR 96 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 39.34 39.69 2lfb n TYR 96 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2lfb n LYS 97 N -0.09 0.34 -4.07 -3.48 2.85 -1.26 -4.96 118.16 107.49 2lfb n LYS 97 Ca 0.00 -0.19 -0.33 0.00 -1.05 0.00 0.00 58.31 56.75 2lfb n LYS 97 Cb 0.00 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2lfb n LYS 97 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2lfb n LEU 98 N -1.16 -2.10 0.00 -5.58 4.77 -1.26 -5.27 117.00 106.39 2lfb n LEU 98 Ca 0.09 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2lfb n LEU 98 Cb 0.33 -2.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.14 2lfb n LEU 98 CO 0.30 0.37 0.00 -0.46 -1.33 0.00 0.00 177.39 176.28