#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 -3.20 -0.91 -5.12 0.00 -1.26 -5.02 121.76 106.25 2lfb s ALA 1 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 2lfb s ALA 1 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2lfb s ALA 1 CO 0.00 -2.36 0.62 2.89 0.00 0.00 0.00 175.76 176.91 2lfb n ARG 2 N 3.11 -1.27 -1.93 0.00 0.00 -1.26 -4.86 116.66 110.44 2lfb n ARG 2 Ca 0.13 0.61 -0.38 0.00 -0.00 0.00 0.00 57.85 58.22 2lfb n ARG 2 Cb 0.60 -2.32 0.03 0.00 -0.00 0.00 0.00 32.46 30.77 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 -3.10 2.39 -0.07 8.89 -4.36 -1.26 -4.91 121.20 118.78 2lfb s ILE 3 Ca 0.10 0.29 -0.29 0.00 -0.26 0.00 0.00 60.65 60.49 2lfb s ILE 3 Cb -0.06 -3.14 -0.07 0.00 1.25 0.00 0.00 42.46 40.44 2lfb s ILE 3 CO 0.91 -0.01 2.04 -1.81 0.24 0.00 0.00 174.94 176.31 2lfb s ASP 4 N -1.12 6.08 -0.10 4.36 1.01 -1.26 -4.89 116.67 120.74 2lfb s ASP 4 Ca 0.70 2.32 -0.26 0.00 0.71 0.00 0.00 52.55 56.02 2lfb s ASP 4 Cb -0.36 -2.52 -0.22 0.00 1.01 0.00 0.00 42.92 40.82 2lfb s ASP 4 CO 0.43 -1.40 0.86 1.55 0.21 0.00 0.00 175.17 176.82 2lfb h PRO 5 N 12.26 -0.02 -0.12 8.23 0.13 -2.02 -3.35 132.00 147.10 2lfb h PRO 5 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2lfb h PRO 5 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2lfb h PRO 5 CO 0.95 0.74 -0.27 1.79 -0.23 0.00 0.00 178.00 180.98 2lfb h THR 6 N -0.86 1.38 0.00 1.56 1.35 -2.04 -3.46 112.91 110.84 2lfb h THR 6 Ca -0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2lfb h THR 6 Cb 0.77 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 2lfb h THR 6 CO 0.00 0.46 0.00 2.29 -0.25 0.00 0.00 175.52 178.02 2lfb n LYS 7 N -4.43 0.00 -2.15 4.72 2.85 -1.26 -4.76 118.16 113.13 2lfb n LYS 7 Ca -0.07 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.79 2lfb n LYS 7 Cb 0.46 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.82 2lfb n LYS 7 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2lfb s LYS 8 N 0.00 4.34 -0.09 -1.58 -2.85 -1.26 -4.98 119.74 113.32 2lfb s LYS 8 Ca 0.00 2.16 -0.11 0.00 -1.00 0.00 0.00 55.97 57.03 2lfb s LYS 8 Cb 0.00 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 2lfb s LYS 8 CO 0.00 -0.18 -0.21 0.41 0.10 0.00 0.00 175.35 175.48 2lfb n GLY 9 N 0.82 -0.42 3.05 0.59 0.00 -1.26 -5.07 105.19 102.90 2lfb n GLY 9 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.79 -1.12 -1.46 1.61 3.00 -1.26 -4.90 116.66 108.74 2lfb n ARG 10 Ca -0.08 1.01 -0.37 0.00 -0.01 0.00 0.00 57.85 58.40 2lfb n ARG 10 Cb 0.30 -1.39 0.07 0.00 0.00 0.00 0.00 32.46 31.44 2lfb n ARG 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2lfb n ARG 11 N 0.35 0.62 0.00 5.56 0.63 -1.26 -4.98 116.66 117.59 2lfb n ARG 11 Ca -0.05 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2lfb n ARG 11 Cb 0.54 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.37 2lfb n ARG 11 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2lfb n ASN 12 N -0.86 1.71 -0.15 6.15 0.23 -1.26 -4.65 115.26 116.43 2lfb n ASN 12 Ca 0.13 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.15 2lfb n ASN 12 Cb 0.49 0.17 0.06 0.00 -2.08 0.00 0.00 39.78 38.41 2lfb n ASN 12 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2lfb h ARG 13 N 0.00 0.25 -7.14 -3.83 0.11 -1.93 -3.42 114.38 98.42 2lfb h ARG 13 Ca 0.00 -0.01 -0.53 0.00 0.10 0.00 0.00 59.98 59.53 2lfb h ARG 13 Cb 0.34 -0.06 0.14 0.00 1.11 0.00 0.00 29.97 31.50 2lfb h ARG 13 CO 0.00 0.16 0.44 0.12 0.10 0.00 0.00 179.97 180.79 2lfb s PHE 14 N -6.14 2.22 -0.03 4.08 5.36 -1.26 -5.03 117.98 117.18 2lfb s PHE 14 Ca -0.13 1.55 -0.29 0.00 -0.96 0.00 0.00 56.93 57.10 2lfb s PHE 14 Cb 0.15 -3.48 0.10 0.00 -0.34 0.00 0.00 43.02 39.45 2lfb s PHE 14 CO 0.73 -2.44 0.87 -1.59 -1.46 0.00 0.00 175.22 171.32 2lfb s LYS 15 N -3.64 0.83 0.69 10.12 -2.85 -1.26 -5.02 119.74 118.61 2lfb s LYS 15 Ca 0.76 -0.17 -0.16 0.00 -1.00 0.00 0.00 55.97 55.39 2lfb s LYS 15 Cb -0.30 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 35.87 2lfb s LYS 15 CO 0.40 -0.34 1.24 -1.58 0.10 0.00 0.00 175.35 175.18 2lfb s TRP 16 N -2.58 2.05 0.40 1.78 0.52 -1.26 -5.01 118.94 114.84 2lfb s TRP 16 Ca 0.02 1.55 0.07 0.00 0.02 0.00 0.00 56.10 57.77 2lfb s TRP 16 Cb -0.01 -3.57 -0.05 0.00 -1.15 0.00 0.00 33.47 28.69 2lfb s TRP 16 CO -0.06 -2.75 0.15 0.20 0.02 0.00 0.00 176.95 174.52 2lfb s GLY 17 N -1.74 2.30 0.19 0.98 0.00 -1.26 -5.00 107.32 102.80 2lfb s GLY 17 Ca 0.78 -2.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 2lfb s GLY 17 CO 0.43 -1.92 1.83 -0.56 0.00 0.00 0.00 173.10 172.88 2lfb h PRO 18 N 1.49 0.72 -0.00 2.90 0.13 -2.01 -0.82 132.00 134.41 2lfb h PRO 18 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2lfb h PRO 18 Cb 1.25 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2lfb h PRO 18 CO 0.70 0.47 -0.14 0.00 -0.23 0.00 0.00 178.00 178.81 2lfb n ALA 19 N -2.30 2.74 0.09 -0.56 0.00 -1.26 -2.69 120.51 116.53 2lfb n ALA 19 Ca 0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2lfb n ALA 19 Cb 0.08 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.03 2lfb n ALA 19 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2lfb h SER 20 N 0.20 0.65 -0.64 0.00 0.02 -1.59 -3.38 113.55 108.81 2lfb h SER 20 Ca 0.00 -0.91 0.10 0.00 -0.84 0.00 0.00 61.79 60.15 2lfb h SER 20 Cb 0.42 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 2lfb h SER 20 CO 0.00 1.76 0.23 1.56 -1.14 0.00 0.00 176.83 179.24 2lfb h GLN 21 N 0.11 0.39 -0.82 3.45 1.08 -1.01 -2.27 115.11 116.04 2lfb h GLN 21 Ca -0.32 -0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.01 2lfb h GLN 21 Cb 2.11 -0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 29.35 2lfb h GLN 21 CO 0.19 0.26 0.38 -0.56 -0.95 0.00 0.00 178.83 178.15 2lfb h GLN 22 N 0.40 0.51 0.00 1.46 3.07 -1.74 0.13 115.11 118.95 2lfb h GLN 22 Ca 0.33 -0.03 -0.12 0.00 0.09 0.00 0.00 58.65 58.91 2lfb h GLN 22 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 2lfb h GLN 22 CO -0.34 0.34 -0.59 0.82 0.09 0.00 0.00 178.83 179.15 2lfb h ILE 23 N 0.52 1.32 -0.25 1.86 5.03 -1.63 -0.95 117.51 123.41 2lfb h ILE 23 Ca 0.46 -2.09 0.05 0.00 -0.12 0.00 0.00 64.86 63.15 2lfb h ILE 23 Cb 0.70 2.16 -0.05 0.00 -3.03 0.00 0.00 36.82 36.60 2lfb h ILE 23 CO -0.40 0.58 -0.05 -0.07 -0.68 0.00 0.00 178.15 177.53 2lfb h LEU 24 N 0.00 -0.20 0.80 1.44 3.38 -0.50 0.32 115.31 120.54 2lfb h LEU 24 Ca -0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2lfb h LEU 24 Cb 1.11 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2lfb h LEU 24 CO 0.08 -0.07 -0.50 -0.26 0.09 0.00 0.00 178.44 177.78 2lfb h PHE 25 N 0.02 -1.32 -0.06 1.13 0.04 -1.27 -0.37 116.94 115.10 2lfb h PHE 25 Ca 0.12 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.90 2lfb h PHE 25 Cb 0.18 0.47 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 2lfb h PHE 25 CO -0.24 -0.74 0.05 -0.56 -0.60 0.00 0.00 178.31 176.22 2lfb h GLN 26 N -1.22 0.00 0.08 1.51 3.07 -0.74 0.32 115.11 118.12 2lfb h GLN 26 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 2lfb h GLN 26 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 2lfb h GLN 26 CO 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 178.83 178.99 2lfb h ALA 27 N 1.95 -0.11 -0.91 0.06 0.00 -0.33 -3.00 119.26 116.93 2lfb h ALA 27 Ca 0.03 -0.28 0.24 0.00 0.00 0.00 0.00 54.91 54.90 2lfb h ALA 27 Cb 0.13 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 2lfb h ALA 27 CO -0.00 -0.23 0.40 -0.92 0.00 0.00 0.00 179.25 178.49 2lfb h TYR 28 N -0.76 0.65 0.11 0.00 3.20 0.13 0.12 116.97 120.42 2lfb h TYR 28 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2lfb h TYR 28 Cb 0.59 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2lfb h TYR 28 CO 0.12 -0.09 -0.24 0.93 -1.64 0.00 0.00 178.16 177.25 2lfb h GLU 29 N 0.36 -0.36 -0.14 1.82 3.07 -1.20 -3.37 114.58 114.76 2lfb h GLU 29 Ca 0.58 0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 59.27 2lfb h GLU 29 Cb 1.15 0.08 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 2lfb h GLU 29 CO -0.56 -0.24 -0.68 0.00 -1.40 0.00 0.00 179.01 176.13 2lfb h ARG 30 N -0.38 0.70 -4.74 2.33 3.08 -0.71 -3.44 114.38 111.22 2lfb h ARG 30 Ca -0.01 -0.57 -0.32 0.00 0.07 0.00 0.00 59.98 59.15 2lfb h ARG 30 Cb 0.36 0.12 -0.22 0.00 0.08 0.00 0.00 29.97 30.30 2lfb h ARG 30 CO -0.10 1.18 -0.75 -1.14 -1.07 0.00 0.00 179.97 178.10 2lfb s GLN 31 N -3.73 0.60 0.00 0.04 0.74 -0.12 -5.11 119.66 112.09 2lfb s GLN 31 Ca -0.11 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.57 2lfb s GLN 31 Cb 0.07 -0.46 0.00 0.00 1.10 0.00 0.00 33.01 33.73 2lfb s GLN 31 CO 0.88 0.10 0.00 1.63 -0.55 0.00 0.00 175.29 177.34 2lfb n LYS 32 N 1.63 3.58 -4.21 1.67 4.76 -1.26 -3.87 118.16 120.46 2lfb n LYS 32 Ca -0.21 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 54.98 2lfb n LYS 32 Cb 0.55 -0.56 -0.17 0.00 -1.84 0.00 0.00 35.03 33.01 2lfb n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2lfb s ASN 33 N -0.62 1.86 -0.99 4.39 0.02 -1.26 -4.93 114.94 113.40 2lfb s ASN 33 Ca 0.00 -0.28 -0.12 0.00 -1.02 0.00 0.00 52.86 51.44 2lfb s ASN 33 Cb 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 41.25 40.41 2lfb s ASN 33 CO 0.00 -0.05 2.15 -0.81 0.02 0.00 0.00 177.10 178.41 2lfb n PRO 34 N 4.38 2.14 0.00 -0.60 -0.04 -1.26 -4.76 135.00 134.86 2lfb n PRO 34 Ca -0.18 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 2lfb n PRO 34 Cb 0.51 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 5.39 0.00 0.00 3.54 7.64 -1.20 -4.84 113.62 124.15 2lfb n SER 35 Ca 0.50 0.65 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2lfb n SER 35 Cb 0.25 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.15 0.00 -0.07 1.43 5.02 -1.26 -4.90 118.16 117.23 2lfb n LYS 36 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2lfb n LYS 36 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2lfb n LYS 36 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2lfb h GLU 37 N 0.00 -0.02 -5.03 1.97 3.07 -1.97 -1.17 114.58 111.43 2lfb h GLU 37 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 2lfb h GLU 37 Cb 0.00 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2lfb h GLU 37 CO 0.00 -0.02 1.47 -1.91 -1.40 0.00 0.00 179.01 177.15 2lfb n GLU 38 N -5.26 1.31 0.00 2.33 2.13 -1.26 -0.49 120.64 119.40 2lfb n GLU 38 Ca -0.01 -2.05 0.00 0.00 0.66 0.00 0.00 57.16 55.76 2lfb n GLU 38 Cb 0.17 -3.34 0.00 0.00 0.27 0.00 0.00 31.44 28.54 2lfb n GLU 38 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2lfb n ARG 39 N 7.77 0.00 -0.24 5.31 1.74 -0.55 -3.23 116.66 127.47 2lfb n ARG 39 Ca 0.47 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.50 2lfb n ARG 39 Cb 0.44 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.94 2lfb n ARG 39 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2lfb h GLU 40 N 0.00 0.82 -0.53 5.56 5.08 -0.56 0.97 114.58 125.93 2lfb h GLU 40 Ca 0.00 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2lfb h GLU 40 Cb 0.00 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 28.98 2lfb h GLU 40 CO 0.00 0.54 -0.47 1.15 -1.00 0.00 0.00 179.01 179.23 2lfb h THR 41 N 0.85 0.00 -0.54 1.13 2.02 -1.03 -1.50 112.91 113.84 2lfb h THR 41 Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 2lfb h THR 41 Cb -0.02 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2lfb h THR 41 CO -0.09 0.00 0.01 0.25 0.37 0.00 0.00 175.52 176.06 2lfb h LEU 42 N -0.20 0.92 -0.27 2.58 6.46 -1.10 -0.15 115.31 123.55 2lfb h LEU 42 Ca 0.09 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2lfb h LEU 42 Cb 0.43 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2lfb h LEU 42 CO -0.60 1.00 0.12 0.58 -0.62 0.00 0.00 178.44 178.92 2lfb h VAL 43 N 0.82 1.16 0.41 1.05 2.07 -0.95 0.99 116.25 121.79 2lfb h VAL 43 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2lfb h VAL 43 Cb 0.52 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2lfb h VAL 43 CO 0.03 0.16 -0.47 -0.08 0.02 0.00 0.00 177.57 177.23 2lfb h GLU 44 N 0.30 -0.86 -0.64 1.57 4.57 -0.72 0.24 114.58 119.05 2lfb h GLU 44 Ca 0.09 0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.46 2lfb h GLU 44 Cb 0.14 0.20 -0.12 0.00 -0.16 0.00 0.00 28.75 28.80 2lfb h GLU 44 CO -0.01 -0.57 -0.19 0.93 -1.18 0.00 0.00 179.01 177.98 2lfb h GLU 45 N -0.90 -0.03 0.61 1.92 5.08 -0.97 0.13 114.58 120.43 2lfb h GLU 45 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2lfb h GLU 45 Cb 0.79 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2lfb h GLU 45 CO -0.09 -0.02 -0.29 0.00 -1.00 0.00 0.00 179.01 177.61 2lfb h ASN 47 N -1.05 0.38 0.32 0.00 -0.26 -0.00 0.44 115.58 115.41 2lfb h ASN 47 Ca -0.08 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2lfb h ASN 47 Cb 0.68 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 2lfb h ASN 47 CO 0.14 0.14 -0.26 -0.09 -1.06 0.00 0.00 177.43 176.30 2lfb h ARG 48 N 0.51 -0.57 -0.97 0.81 2.43 -0.72 0.87 114.38 116.74 2lfb h ARG 48 Ca 0.45 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.78 2lfb h ARG 48 Cb 0.69 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.28 2lfb h ARG 48 CO -0.40 -0.38 0.60 0.00 -1.51 0.00 0.00 179.97 178.28 2lfb h ALA 49 N 0.02 1.47 -0.39 2.80 0.00 0.18 0.12 119.26 123.45 2lfb h ALA 49 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2lfb h ALA 49 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2lfb h ALA 49 CO -0.02 0.17 0.08 0.93 0.00 0.00 0.00 179.25 180.42 2lfb h GLU 50 N 0.93 0.64 -0.82 0.00 5.08 0.22 -2.30 114.58 118.33 2lfb h GLU 50 Ca 0.49 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2lfb h GLU 50 Cb 0.51 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2lfb h GLU 50 CO -0.28 0.68 0.52 0.00 -1.00 0.00 0.00 179.01 178.93 2lfb h ILE 52 N 1.12 1.14 -0.97 0.00 2.04 -0.47 0.40 117.51 120.77 2lfb h ILE 52 Ca 0.30 -0.67 0.27 0.00 1.00 0.00 0.00 64.86 65.76 2lfb h ILE 52 Cb -0.08 1.34 -0.14 0.00 -0.74 0.00 0.00 36.82 37.21 2lfb h ILE 52 CO -0.06 0.19 0.51 1.56 0.00 0.00 0.00 178.15 180.35 2lfb h GLN 53 N 0.02 0.40 0.00 2.37 4.20 -1.19 -3.23 115.11 117.67 2lfb h GLN 53 Ca 0.00 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2lfb h GLN 53 Cb 0.34 -0.09 -0.32 0.00 0.30 0.00 0.00 27.48 27.71 2lfb h GLN 53 CO 0.02 0.26 -0.88 0.54 -0.67 0.00 0.00 178.83 178.10 2lfb n ARG 54 N -5.02 0.00 0.00 1.46 1.74 0.06 -5.06 116.66 109.85 2lfb n ARG 54 Ca 0.27 -1.76 0.00 0.00 -0.77 0.00 0.00 57.85 55.59 2lfb n ARG 54 Cb 0.82 0.03 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 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 0.39 0.75 1.25 -0.13 0.00 0.12 -4.94 105.19 102.62 2lfb n GLY 55 Ca 0.01 0.64 0.14 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.16 -2.12 1.61 0.31 -1.25 -4.19 118.33 112.53 2lfb n VAL 56 Ca 0.00 0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 64.37 2lfb n VAL 56 Cb 0.00 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 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 -6.39 6.64 0.23 4.52 0.01 -1.26 -4.90 113.70 112.54 2lfb s SER 57 Ca 0.00 1.95 -0.07 0.00 1.31 0.00 0.00 55.95 59.13 2lfb s SER 57 Cb 0.00 -2.53 0.27 0.00 0.21 0.00 0.00 66.02 63.96 2lfb s SER 57 CO 0.00 -0.99 1.86 1.55 0.41 0.00 0.00 173.24 176.06 2lfb h PRO 58 N 9.63 0.93 -0.11 12.44 0.13 -1.99 0.18 132.00 153.21 2lfb h PRO 58 Ca -0.35 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2lfb h PRO 58 Cb 1.16 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2lfb h PRO 58 CO 0.97 0.62 0.16 0.66 -0.23 0.00 0.00 178.00 180.17 2lfb h SER 59 N 0.96 0.00 -0.59 1.44 4.64 -1.98 -1.08 113.55 116.94 2lfb h SER 59 Ca 0.34 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.24 2lfb h SER 59 Cb 0.08 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.88 2lfb h SER 59 CO -0.14 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.37 2lfb n GLN 60 N -3.62 2.88 0.19 4.77 6.02 0.59 -4.80 117.38 123.41 2lfb n GLN 60 Ca -0.00 -3.77 0.17 0.00 -0.01 0.00 0.00 57.00 53.39 2lfb n GLN 60 Cb 0.26 -2.10 0.80 0.00 1.02 0.00 0.00 30.24 30.22 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 1.77 1.89 0.00 -1.58 0.00 -0.57 -0.17 119.26 120.61 2lfb h ALA 61 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2lfb h ALA 61 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2lfb h ALA 61 CO 0.67 -0.30 0.00 0.94 0.00 0.00 0.00 179.25 180.56 2lfb n GLN 62 N -3.94 0.91 0.00 0.00 0.00 -1.26 -3.90 117.38 109.19 2lfb n GLN 62 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.02 2lfb n GLN 62 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2lfb n GLY 63 N 0.94 0.10 1.58 1.69 0.00 -0.08 -4.42 105.19 105.01 2lfb n GLY 63 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.18 5.58 0.00 0.99 4.77 -1.25 -4.89 117.00 122.02 2lfb n LEU 64 Ca 0.00 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 2lfb n LEU 64 Cb 0.07 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2lfb n LEU 64 CO 0.00 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2lfb n GLY 65 N 1.27 0.00 0.31 -0.72 0.00 -1.26 -0.46 105.19 104.33 2lfb n GLY 65 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2lfb n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2lfb h SER 66 N 0.00 0.85 0.51 1.61 0.02 -1.98 -3.12 113.55 111.44 2lfb h SER 66 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2lfb h SER 66 Cb 0.00 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2lfb h SER 66 CO 0.00 0.57 -1.63 0.78 -1.14 0.00 0.00 176.83 175.42 2lfb h ASN 67 N 0.99 0.09 -0.70 3.07 4.21 -1.17 -3.35 115.58 118.73 2lfb h ASN 67 Ca 0.33 -0.17 -0.61 0.00 1.21 0.00 0.00 56.30 57.06 2lfb h ASN 67 Cb 0.05 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.23 2lfb h ASN 67 CO -0.13 1.15 0.40 -0.11 -1.29 0.00 0.00 177.43 177.46 2lfb n LEU 68 N -3.18 0.69 -4.68 1.61 7.94 -0.07 -4.72 117.00 114.59 2lfb n LEU 68 Ca -0.16 0.83 -0.42 0.00 -1.11 0.00 0.00 56.01 55.15 2lfb n LEU 68 Cb 1.04 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 44.33 2lfb n LEU 68 CO 0.46 -0.73 1.21 -0.69 -1.11 0.00 0.00 177.39 176.53 2lfb s VAL 69 N 1.72 3.53 0.14 1.96 1.01 -1.26 -5.00 120.40 122.50 2lfb s VAL 69 Ca 0.72 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.64 2lfb s VAL 69 Cb -1.03 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2lfb s VAL 69 CO 0.55 -0.02 0.05 0.42 0.00 0.00 0.00 175.10 176.10 2lfb s THR 70 N 2.76 4.13 0.24 3.92 -4.23 -1.26 -4.87 115.64 116.33 2lfb s THR 70 Ca 0.68 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.00 2lfb s THR 70 Cb -0.34 -3.05 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2lfb s THR 70 CO 0.28 -0.02 1.90 1.05 -0.54 0.00 0.00 174.62 177.30 2lfb h GLU 71 N 2.90 1.28 -0.83 3.99 -0.00 -1.96 0.13 114.58 120.10 2lfb h GLU 71 Ca -0.47 -0.10 0.23 0.00 -0.00 0.00 0.00 59.36 59.02 2lfb h GLU 71 Cb 1.19 -0.28 -0.04 0.00 -0.00 0.00 0.00 28.75 29.62 2lfb h GLU 71 CO 0.61 0.87 0.59 -0.24 -0.00 0.00 0.00 179.01 180.84 2lfb h VAL 72 N 1.31 0.60 -0.16 -1.06 3.04 -1.98 0.20 116.25 118.19 2lfb h VAL 72 Ca 0.35 -0.01 -0.17 0.00 -1.01 0.00 0.00 66.70 65.86 2lfb h VAL 72 Cb -0.10 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 29.75 2lfb h VAL 72 CO -0.07 0.01 -0.56 -0.09 -1.01 0.00 0.00 177.57 175.85 2lfb h ARG 73 N 0.04 0.66 -0.16 4.17 9.65 -1.14 0.15 114.38 127.76 2lfb h ARG 73 Ca 0.40 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2lfb h ARG 73 Cb 1.53 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 2lfb h ARG 73 CO -0.02 1.12 0.09 0.28 2.80 0.00 0.00 179.97 184.24 2lfb h VAL 74 N 0.34 1.09 -0.49 0.20 2.07 -0.64 0.88 116.25 119.71 2lfb h VAL 74 Ca -0.02 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.35 2lfb h VAL 74 Cb 1.18 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.82 2lfb h VAL 74 CO 0.12 0.08 -0.35 0.22 0.02 0.00 0.00 177.57 177.66 2lfb h TYR 75 N 0.16 -0.97 -0.09 1.57 5.03 -0.73 -0.41 116.97 121.53 2lfb h TYR 75 Ca 0.06 0.07 0.04 0.00 2.58 0.00 0.00 58.73 61.47 2lfb h TYR 75 Cb 0.06 0.50 -0.04 0.00 1.55 0.00 0.00 36.73 38.80 2lfb h TYR 75 CO -0.04 -0.39 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.34 2lfb h ASN 76 N -0.22 -0.46 0.29 -2.11 -0.26 0.14 0.27 115.58 113.22 2lfb h ASN 76 Ca 0.19 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 2lfb h ASN 76 Cb 0.55 0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 2lfb h ASN 76 CO -0.61 -0.20 -0.14 4.11 -1.06 0.00 0.00 177.43 179.53 2lfb h TRP 77 N -0.21 -0.36 -0.27 1.19 5.08 -0.30 0.10 115.95 121.18 2lfb h TRP 77 Ca 0.08 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.02 2lfb h TRP 77 Cb 0.32 0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 2lfb h TRP 77 CO -0.25 -0.10 0.10 0.74 -1.28 0.00 0.00 178.44 177.65 2lfb h PHE 78 N -0.58 0.41 -0.46 0.12 0.04 -0.99 0.54 116.94 116.02 2lfb h PHE 78 Ca -0.04 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.76 2lfb h PHE 78 Cb 0.42 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 2lfb h PHE 78 CO -0.01 0.43 0.16 0.00 -0.60 0.00 0.00 178.31 178.29 2lfb h ALA 79 N 0.94 0.55 -0.40 2.45 0.00 -0.48 0.69 119.26 123.03 2lfb h ALA 79 Ca 0.09 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2lfb h ALA 79 Cb 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2lfb h ALA 79 CO -0.01 -0.24 0.15 -0.91 0.00 0.00 0.00 179.25 178.25 2lfb h ASN 80 N 0.32 0.17 0.62 0.00 2.35 -0.10 0.48 115.58 119.43 2lfb h ASN 80 Ca 0.22 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2lfb h ASN 80 Cb 0.23 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2lfb h ASN 80 CO -0.23 0.13 -0.39 0.03 -1.65 0.00 0.00 177.43 175.32 2lfb h ARG 81 N 0.31 -0.92 0.00 0.81 2.47 0.12 0.35 114.38 117.52 2lfb h ARG 81 Ca 0.18 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 2lfb h ARG 81 Cb 0.15 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2lfb h ARG 81 CO -0.18 -0.61 0.00 2.89 0.56 0.00 0.00 179.97 182.63 2lfb n ARG 82 N -5.52 0.16 0.08 0.04 1.85 0.14 -0.86 116.66 112.54 2lfb n ARG 82 Ca -0.13 0.41 -0.10 0.00 -1.00 0.00 0.00 57.85 57.03 2lfb n ARG 82 Cb 0.41 -1.81 -0.03 0.00 -1.05 0.00 0.00 32.46 29.98 2lfb n ARG 82 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2lfb h LYS 83 N 0.00 0.25 -0.70 2.89 1.79 0.79 -0.22 116.57 121.36 2lfb h LYS 83 Ca 0.00 -0.28 0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2lfb h LYS 83 Cb 0.31 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.95 2lfb h LYS 83 CO 0.00 1.00 0.21 1.49 -1.08 0.00 0.00 179.45 181.08 2lfb h GLU 84 N 0.14 0.33 0.14 3.15 4.81 0.17 0.54 114.58 123.85 2lfb h GLU 84 Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2lfb h GLU 84 Cb 1.55 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2lfb h GLU 84 CO 0.14 0.22 -0.07 1.49 -0.73 0.00 0.00 179.01 180.06 2lfb h GLU 85 N 0.34 -0.18 -0.62 1.92 4.81 -1.45 -2.58 114.58 116.81 2lfb h GLU 85 Ca 0.39 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.79 2lfb h GLU 85 Cb 0.61 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2lfb h GLU 85 CO -0.44 -0.12 0.44 0.00 -0.73 0.00 0.00 179.01 178.16 2lfb h ALA 86 N -1.87 2.46 -1.98 2.92 0.00 -0.85 0.58 119.26 120.50 2lfb h ALA 86 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2lfb h ALA 86 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2lfb h ALA 86 CO 0.03 -0.63 0.00 0.34 0.00 0.00 0.00 179.25 178.99 2lfb n PHE 87 N -4.39 0.00 -0.32 0.00 7.35 0.19 -1.72 117.46 118.56 2lfb n PHE 87 Ca 0.12 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.91 2lfb n PHE 87 Cb 0.63 -0.17 0.31 0.00 0.35 0.00 0.00 39.48 40.60 2lfb n PHE 87 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2lfb h ARG 88 N 0.00 0.81 -0.88 -4.13 1.12 -1.01 0.08 114.38 110.37 2lfb h ARG 88 Ca 0.00 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2lfb h ARG 88 Cb 0.00 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 29.73 2lfb h ARG 88 CO 0.00 0.53 0.54 1.25 -3.11 0.00 0.00 179.97 179.18 2lfb h HIS 89 N 0.83 1.15 -1.97 2.20 2.76 -0.97 -3.32 115.15 115.82 2lfb h HIS 89 Ca 0.49 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 58.15 2lfb h HIS 89 Cb 0.65 -0.38 -0.41 0.00 1.55 0.00 0.00 27.41 28.82 2lfb h HIS 89 CO -0.00 0.76 -1.01 1.17 -1.30 0.00 0.00 177.93 177.54 2lfb n LYS 90 N -4.37 1.77 0.00 5.26 3.00 -0.02 -4.98 118.16 118.82 2lfb n LYS 90 Ca 0.10 -3.86 0.00 0.00 -0.00 0.00 0.00 58.31 54.55 2lfb n LYS 90 Cb 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 35.03 33.24 2lfb n LYS 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2lfb n LEU 91 N 0.06 0.00 -1.98 3.14 7.94 -0.97 -4.81 117.00 120.37 2lfb n LEU 91 Ca 0.26 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 55.14 2lfb n LEU 91 Cb 0.59 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.55 2lfb n LEU 91 CO 0.26 0.00 0.06 0.00 -1.11 0.00 0.00 177.39 176.60 2lfb n ALA 92 N -3.00 -1.48 0.00 1.96 0.00 -1.26 -4.61 120.51 112.12 2lfb n ALA 92 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2lfb n ALA 92 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.58 0.00 -0.07 0.00 0.00 -1.26 -4.99 117.12 109.22 2lfb n MET 93 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.61 2lfb n MET 93 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.68 2lfb n MET 93 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 2lfb h ASP 94 N 0.00 0.00 -5.25 6.12 2.03 -1.99 -3.50 116.42 113.82 2lfb h ASP 94 Ca 0.00 -0.39 0.13 0.00 -0.73 0.00 0.00 57.03 56.04 2lfb h ASP 94 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 2lfb h ASP 94 CO 0.00 0.85 0.44 -0.89 -1.03 0.00 0.00 179.24 178.61 2lfb s THR 95 N -2.00 0.00 0.83 1.15 2.01 -1.26 -5.15 115.64 111.21 2lfb s THR 95 Ca -0.13 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 2lfb s THR 95 Cb 0.00 -2.35 0.09 0.00 0.01 0.00 0.00 72.50 70.25 2lfb s THR 95 CO 0.34 0.00 1.10 -0.47 -0.69 0.00 0.00 174.62 174.90 2lfb s TYR 96 N -2.96 2.68 0.00 4.92 5.04 -1.26 -4.60 117.35 121.16 2lfb s TYR 96 Ca 0.15 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 2lfb s TYR 96 Cb -0.03 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.13 2lfb s TYR 96 CO 0.05 -1.96 0.65 1.17 -1.34 0.00 0.00 175.55 174.12 2lfb n LYS 97 N -3.57 0.00 -2.63 4.97 0.00 -1.26 -4.98 118.16 110.69 2lfb n LYS 97 Ca 0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 58.31 57.77 2lfb n LYS 97 Cb 0.56 0.38 0.10 0.00 0.00 0.00 0.00 35.03 36.07 2lfb n LYS 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2lfb n LEU 98 N 0.00 -1.60 0.00 3.14 -0.00 -1.26 -5.10 117.00 112.18 2lfb n LEU 98 Ca -0.16 -3.06 0.06 0.00 -0.00 0.00 0.00 56.01 52.85 2lfb n LEU 98 Cb 0.53 0.19 0.34 0.00 -0.00 0.00 0.00 43.42 44.48 2lfb n LEU 98 CO -0.08 1.71 0.56 -0.46 -0.00 0.00 0.00 177.39 179.12