#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 1.79 -0.96 -5.12 0.00 -1.26 -5.14 120.51 109.82 2lfb n ALA 1 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2lfb n ALA 1 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 2lfb n ALA 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2lfb n ARG 2 N -3.03 -1.76 -1.84 0.00 1.74 -1.26 -4.93 116.66 105.59 2lfb n ARG 2 Ca -0.02 1.25 -0.30 0.00 -0.77 0.00 0.00 57.85 58.01 2lfb n ARG 2 Cb 0.09 -2.24 0.17 0.00 -1.02 0.00 0.00 32.46 29.46 2lfb n ARG 2 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2lfb s ILE 3 N -2.52 1.97 -0.11 0.55 -0.00 -1.26 -5.10 121.20 114.73 2lfb s ILE 3 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.68 2lfb s ILE 3 Cb 0.00 -2.95 -0.00 0.00 -0.00 0.00 0.00 42.46 39.51 2lfb s ILE 3 CO 0.00 0.00 -0.22 1.51 -0.00 0.00 0.00 174.94 176.23 2lfb s ASP 4 N -4.71 3.27 0.10 4.36 1.47 -1.26 -5.03 116.67 114.87 2lfb s ASP 4 Ca 0.71 -0.52 -0.01 0.00 1.18 0.00 0.00 52.55 53.91 2lfb s ASP 4 Cb -0.06 -1.45 -0.20 0.00 -0.34 0.00 0.00 42.92 40.87 2lfb s ASP 4 CO 0.53 0.16 1.22 1.55 0.68 0.00 0.00 175.17 179.31 2lfb h PRO 5 N 6.72 0.22 -0.48 2.11 0.13 -2.04 -3.41 132.00 135.25 2lfb h PRO 5 Ca -0.21 -0.34 -0.27 0.00 -0.87 0.00 0.00 66.00 64.32 2lfb h PRO 5 Cb 1.23 0.12 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 2lfb h PRO 5 CO 0.49 1.12 -1.10 0.25 -0.23 0.00 0.00 178.00 178.53 2lfb n THR 6 N -3.55 1.35 -3.59 1.56 -2.24 -1.26 -5.04 114.28 101.51 2lfb n THR 6 Ca -0.06 -3.02 -0.22 0.00 -2.27 0.00 0.00 64.05 58.47 2lfb n THR 6 Cb 0.95 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 2lfb n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2lfb n LYS 7 N -0.58 -0.88 -1.54 -0.78 3.00 -1.26 -4.53 118.16 111.59 2lfb n LYS 7 Ca 0.10 0.31 -0.31 0.00 -0.00 0.00 0.00 58.31 58.41 2lfb n LYS 7 Cb 0.81 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 34.27 2lfb n LYS 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2lfb n LYS 8 N -2.58 0.62 -0.07 1.64 0.00 -1.26 -4.81 118.16 111.70 2lfb n LYS 8 Ca -0.18 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.31 57.87 2lfb n LYS 8 Cb 0.46 -2.86 -0.01 0.00 -0.00 0.00 0.00 35.03 32.62 2lfb n LYS 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2lfb h GLY 9 N 17.87 -0.03 -7.24 2.58 0.00 -1.80 -3.36 103.07 111.08 2lfb h GLY 9 Ca -0.12 0.25 -0.67 0.00 0.00 0.00 0.00 47.33 46.79 2lfb h GLY 9 CO 1.22 -0.19 -0.73 0.50 0.00 0.00 0.00 176.54 177.34 2lfb s ARG 10 N -6.12 2.78 1.03 4.80 0.52 -1.26 -4.42 118.95 116.28 2lfb s ARG 10 Ca -0.14 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 53.87 2lfb s ARG 10 Cb 0.13 -3.04 0.27 0.00 0.52 0.00 0.00 34.95 32.83 2lfb s ARG 10 CO 0.69 -0.44 0.63 -2.13 0.02 0.00 0.00 175.30 174.07 2lfb n ARG 11 N 4.67 -3.94 0.12 3.54 0.63 -1.24 -5.00 116.66 115.43 2lfb n ARG 11 Ca -0.16 -1.05 -0.12 0.00 -0.92 0.00 0.00 57.85 55.61 2lfb n ARG 11 Cb 0.46 -1.33 -0.07 0.00 0.45 0.00 0.00 32.46 31.97 2lfb n ARG 11 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2lfb h ASN 12 N -3.10 -0.31 0.00 6.15 -1.07 -2.00 -3.42 115.58 111.84 2lfb h ASN 12 Ca -0.28 -0.22 0.00 0.00 0.07 0.00 0.00 56.30 55.87 2lfb h ASN 12 Cb 0.94 0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 2lfb h ASN 12 CO 0.17 0.14 -0.05 0.08 0.07 0.00 0.00 177.43 177.84 2lfb h ARG 13 N -0.87 0.00 -6.99 4.14 0.11 -1.94 -3.44 114.38 105.38 2lfb h ARG 13 Ca -0.04 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.54 2lfb h ARG 13 Cb 0.51 0.00 0.05 0.00 1.11 0.00 0.00 29.97 31.65 2lfb h ARG 13 CO 0.06 0.00 0.47 0.12 0.10 0.00 0.00 179.97 180.72 2lfb s PHE 14 N -1.62 2.96 0.07 4.08 2.19 -1.22 -4.79 117.98 119.65 2lfb s PHE 14 Ca -0.01 1.56 -0.14 0.00 0.33 0.00 0.00 56.93 58.67 2lfb s PHE 14 Cb 0.00 -3.33 0.02 0.00 -1.31 0.00 0.00 43.02 38.41 2lfb s PHE 14 CO 0.02 -1.32 0.31 -1.59 1.83 0.00 0.00 175.22 174.47 2lfb s LYS 15 N -2.65 0.88 0.01 10.12 -2.85 -1.26 -3.72 119.74 120.27 2lfb s LYS 15 Ca 0.62 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 2lfb s LYS 15 Cb -0.27 0.38 -0.06 0.00 -2.06 0.00 0.00 37.83 35.82 2lfb s LYS 15 CO 0.33 -0.30 1.38 -1.58 0.10 0.00 0.00 175.35 175.28 2lfb s TRP 16 N -3.04 2.94 0.56 1.78 0.52 -1.26 -5.03 118.94 115.41 2lfb s TRP 16 Ca -0.02 0.88 0.06 0.00 0.02 0.00 0.00 56.10 57.04 2lfb s TRP 16 Cb 0.01 -3.64 0.07 0.00 -1.15 0.00 0.00 33.47 28.76 2lfb s TRP 16 CO -0.06 -2.32 0.77 0.20 0.02 0.00 0.00 176.95 175.56 2lfb s GLY 17 N 1.74 1.80 0.24 0.98 0.00 -1.26 -4.90 107.32 105.93 2lfb s GLY 17 Ca 0.63 -1.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.46 2lfb s GLY 17 CO 0.27 -1.45 1.84 -0.56 0.00 0.00 0.00 173.10 173.20 2lfb h PRO 18 N 0.15 1.15 0.08 2.90 0.13 -2.00 0.61 132.00 135.02 2lfb h PRO 18 Ca -0.35 -0.16 -0.33 0.00 -0.87 0.00 0.00 66.00 64.28 2lfb h PRO 18 Cb 1.28 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2lfb h PRO 18 CO 0.43 0.88 -1.86 0.00 -0.23 0.00 0.00 178.00 177.23 2lfb h ALA 19 N 1.28 0.55 -0.89 -0.56 0.00 -1.96 -3.24 119.26 114.45 2lfb h ALA 19 Ca 0.28 -1.40 0.23 0.00 0.00 0.00 0.00 54.91 54.01 2lfb h ALA 19 Cb 0.11 0.60 -0.16 0.00 0.00 0.00 0.00 17.79 18.34 2lfb h ALA 19 CO -0.04 1.41 0.04 0.77 0.00 0.00 0.00 179.25 181.43 2lfb h SER 20 N 0.05 -0.38 -0.87 0.00 0.02 -1.80 0.25 113.55 110.81 2lfb h SER 20 Ca -0.36 0.24 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 2lfb h SER 20 Cb 2.03 0.41 -0.07 0.00 0.14 0.00 0.00 62.40 64.91 2lfb h SER 20 CO 0.09 -0.26 0.57 1.56 -1.14 0.00 0.00 176.83 177.65 2lfb h GLN 21 N 0.07 0.57 0.00 3.45 1.08 -0.90 -0.90 115.11 118.48 2lfb h GLN 21 Ca 0.52 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 2lfb h GLN 21 Cb 1.01 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2lfb h GLN 21 CO -0.79 0.38 0.00 0.94 -0.95 0.00 0.00 178.83 178.40 2lfb n GLN 22 N -4.54 0.65 -0.11 1.46 7.27 0.86 -0.18 117.38 122.78 2lfb n GLN 22 Ca 0.17 0.02 -0.22 0.00 0.07 0.00 0.00 57.00 57.04 2lfb n GLN 22 Cb 0.53 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.58 2lfb n GLN 22 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2lfb n ILE 23 N -1.12 1.52 -0.12 1.69 -0.00 -0.40 -3.88 119.36 117.04 2lfb n ILE 23 Ca 0.17 -0.11 -0.14 0.00 -0.00 0.00 0.00 62.75 62.68 2lfb n ILE 23 Cb 0.14 -2.05 -0.10 0.00 -0.00 0.00 0.00 39.64 37.64 2lfb n ILE 23 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2lfb h LEU 24 N -1.00 -1.78 -0.36 1.39 3.38 -0.87 -1.38 115.31 114.69 2lfb h LEU 24 Ca -0.41 0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2lfb h LEU 24 Cb 1.30 0.72 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 2lfb h LEU 24 CO -0.25 -0.40 0.23 2.19 0.09 0.00 0.00 178.44 180.31 2lfb h PHE 25 N -0.41 0.44 -0.01 1.13 -5.15 -0.83 -0.88 116.94 111.23 2lfb h PHE 25 Ca 0.06 0.01 -0.07 0.00 -0.20 0.00 0.00 57.97 57.77 2lfb h PHE 25 Cb 0.58 -0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.59 2lfb h PHE 25 CO -0.70 0.28 -0.33 -0.56 -2.00 0.00 0.00 178.31 175.00 2lfb h GLN 26 N 0.48 0.02 0.02 6.09 3.07 -1.41 0.16 115.11 123.54 2lfb h GLN 26 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.86 2lfb h GLN 26 Cb -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.51 2lfb h GLN 26 CO -0.03 0.35 -0.01 0.00 0.09 0.00 0.00 178.83 179.23 2lfb h ALA 27 N 1.65 -0.03 -0.71 0.06 0.00 -1.19 -3.26 119.26 115.79 2lfb h ALA 27 Ca 0.00 -0.38 0.17 0.00 0.00 0.00 0.00 54.91 54.71 2lfb h ALA 27 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2lfb h ALA 27 CO 0.04 -0.10 0.49 -0.92 0.00 0.00 0.00 179.25 178.77 2lfb h TYR 28 N -0.86 0.24 0.00 0.00 3.20 -0.25 0.57 116.97 119.87 2lfb h TYR 28 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2lfb h TYR 28 Cb 0.76 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2lfb h TYR 28 CO 0.20 0.09 0.00 -1.91 -1.64 0.00 0.00 178.16 174.89 2lfb n GLU 29 N -4.41 0.00 -0.02 1.82 2.13 0.46 -3.91 120.64 116.71 2lfb n GLU 29 Ca 0.14 0.46 -0.00 0.00 0.66 0.00 0.00 57.16 58.42 2lfb n GLU 29 Cb 0.64 -1.21 -0.00 0.00 0.27 0.00 0.00 31.44 31.13 2lfb n GLU 29 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 2lfb h ARG 30 N 0.00 0.00 -4.14 5.31 0.11 -1.02 -3.37 114.38 111.27 2lfb h ARG 30 Ca 0.00 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.38 2lfb h ARG 30 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2lfb h ARG 30 CO 0.00 0.00 2.97 1.04 0.10 0.00 0.00 179.97 184.08 2lfb n GLN 31 N -3.05 2.63 -0.18 0.08 6.02 0.18 -4.75 117.38 118.32 2lfb n GLN 31 Ca -0.00 -2.49 0.17 0.00 -0.01 0.00 0.00 57.00 54.66 2lfb n GLN 31 Cb 0.01 -3.24 0.51 0.00 1.02 0.00 0.00 30.24 28.55 2lfb n GLN 31 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2lfb h LYS 32 N 6.37 0.38 -6.09 -1.09 1.79 -1.68 -3.37 116.57 112.89 2lfb h LYS 32 Ca 0.54 -0.02 -0.58 0.00 -2.18 0.00 0.00 60.65 58.41 2lfb h LYS 32 Cb 0.65 -0.09 -0.25 0.00 -1.58 0.00 0.00 32.23 30.97 2lfb h LYS 32 CO 1.89 0.25 -0.84 0.54 -1.08 0.00 0.00 179.45 180.21 2lfb s ASN 33 N -5.88 2.48 -0.86 0.86 2.20 -1.26 -4.94 114.94 107.53 2lfb s ASN 33 Ca -0.08 -0.55 -0.19 0.00 -0.94 0.00 0.00 52.86 51.10 2lfb s ASN 33 Cb 0.21 -0.19 0.13 0.00 -2.00 0.00 0.00 41.25 39.40 2lfb s ASN 33 CO 0.77 0.14 1.04 -2.16 -2.94 0.00 0.00 177.10 173.95 2lfb s PRO 34 N -1.31 3.49 0.00 3.55 0.04 -1.26 -4.92 135.00 134.58 2lfb s PRO 34 Ca 0.07 -1.64 0.00 0.00 0.04 0.00 0.00 61.00 59.47 2lfb s PRO 34 Cb -0.09 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.72 2lfb s PRO 34 CO 0.02 -1.73 0.02 -1.13 0.04 0.00 0.00 177.00 174.23 2lfb n SER 35 N 6.51 0.00 0.00 6.66 3.41 -1.26 -4.96 113.62 123.98 2lfb n SER 35 Ca 0.17 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2lfb n SER 35 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2lfb n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2lfb n LYS 36 N -0.05 0.00 -0.34 4.33 4.01 -1.26 -4.90 118.16 119.95 2lfb n LYS 36 Ca 0.00 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 57.98 2lfb n LYS 36 Cb 0.00 0.00 0.41 0.00 -0.51 0.00 0.00 35.03 34.93 2lfb n LYS 36 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2lfb h GLU 37 N 0.00 0.55 -0.11 1.97 4.81 -1.99 -0.80 114.58 119.01 2lfb h GLU 37 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2lfb h GLU 37 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2lfb h GLU 37 CO 0.00 0.36 -0.06 -1.91 -0.73 0.00 0.00 179.01 176.67 2lfb n GLU 38 N -4.77 -0.05 -0.03 1.92 0.00 -1.26 0.29 120.64 116.74 2lfb n GLU 38 Ca 0.25 0.20 -0.12 0.00 0.00 0.00 0.00 57.16 57.49 2lfb n GLU 38 Cb 0.74 -0.29 -0.11 0.00 0.00 0.00 0.00 31.44 31.79 2lfb n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2lfb h ARG 39 N 0.00 -0.03 -0.56 5.31 2.43 -1.48 0.98 114.38 121.03 2lfb h ARG 39 Ca 0.02 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2lfb h ARG 39 Cb 0.04 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 2lfb h ARG 39 CO -0.10 0.68 -0.39 0.93 -1.51 0.00 0.00 179.97 179.58 2lfb h GLU 40 N -0.84 -0.21 -0.66 0.20 5.08 -1.49 0.58 114.58 117.25 2lfb h GLU 40 Ca -0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2lfb h GLU 40 Cb 0.73 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 2lfb h GLU 40 CO 0.01 -0.14 -0.52 1.15 -1.00 0.00 0.00 179.01 178.51 2lfb h THR 41 N -0.21 0.02 -1.00 1.13 2.02 -0.16 0.29 112.91 115.00 2lfb h THR 41 Ca 0.20 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.48 2lfb h THR 41 Cb 0.56 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 2lfb h THR 41 CO -0.67 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 175.79 2lfb h LEU 42 N -0.21 0.95 0.89 2.58 3.38 0.88 0.27 115.31 124.04 2lfb h LEU 42 Ca 0.15 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2lfb h LEU 42 Cb 0.54 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2lfb h LEU 42 CO -0.74 0.53 -0.43 0.58 0.09 0.00 0.00 178.44 178.47 2lfb h VAL 43 N 1.03 0.00 -0.40 1.22 2.07 0.09 -2.55 116.25 117.72 2lfb h VAL 43 Ca 0.48 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.93 2lfb h VAL 43 Cb 0.42 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 2lfb h VAL 43 CO -0.24 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.58 2lfb h GLU 44 N -1.32 -0.25 -0.25 1.57 4.39 0.24 0.19 114.58 119.16 2lfb h GLU 44 Ca -0.12 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 2lfb h GLU 44 Cb 0.92 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2lfb h GLU 44 CO 0.20 -0.17 -0.39 0.93 -1.16 0.00 0.00 179.01 178.43 2lfb h GLU 45 N -0.26 0.56 -0.00 2.33 3.07 -0.65 0.26 114.58 119.90 2lfb h GLU 45 Ca 0.07 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.65 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 -0.51 0.86 0.00 0.00 -1.40 0.00 0.00 179.01 177.96 2lfb h ASN 47 N -0.07 0.72 0.33 0.00 2.35 0.53 0.26 115.58 119.70 2lfb h ASN 47 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2lfb h ASN 47 Cb 0.07 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2lfb h ASN 47 CO -0.00 0.42 -0.38 -0.09 -1.65 0.00 0.00 177.43 175.72 2lfb h ARG 48 N 0.84 -0.73 -0.84 0.81 2.43 -0.29 0.36 114.38 116.96 2lfb h ARG 48 Ca 0.41 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.71 2lfb h ARG 48 Cb 0.36 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 2lfb h ARG 48 CO -0.24 -0.49 0.49 0.00 -1.51 0.00 0.00 179.97 178.23 2lfb h ALA 49 N -0.33 1.18 -0.45 2.80 0.00 -0.24 -0.03 119.26 122.19 2lfb h ALA 49 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2lfb h ALA 49 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2lfb h ALA 49 CO -0.10 0.16 -0.23 1.49 0.00 0.00 0.00 179.25 180.57 2lfb h GLU 50 N 0.85 0.92 -0.50 0.00 4.57 -0.22 0.69 114.58 120.89 2lfb h GLU 50 Ca 0.39 -0.39 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 2lfb h GLU 50 Cb 0.30 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 2lfb h GLU 50 CO -0.22 1.05 0.10 0.00 -1.18 0.00 0.00 179.01 178.76 2lfb h ILE 52 N 0.24 1.18 0.00 0.00 2.04 -0.48 0.24 117.51 120.73 2lfb h ILE 52 Ca 0.25 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2lfb h ILE 52 Cb 0.34 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2lfb h ILE 52 CO -0.33 0.18 0.26 1.56 0.00 0.00 0.00 178.15 179.82 2lfb h GLN 53 N 0.12 0.00 0.00 2.37 4.20 0.01 -1.55 115.11 120.27 2lfb h GLN 53 Ca 0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2lfb h GLN 53 Cb 0.22 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.65 2lfb h GLN 53 CO -0.00 0.00 -0.98 -2.13 -0.67 0.00 0.00 178.83 175.05 2lfb n ARG 54 N -2.51 0.09 -4.17 1.46 0.63 -0.68 -5.02 116.66 106.46 2lfb n ARG 54 Ca -0.02 -2.02 -0.29 0.00 -0.92 0.00 0.00 57.85 54.61 2lfb n ARG 54 Cb 0.30 -0.12 -0.09 0.00 0.45 0.00 0.00 32.46 33.00 2lfb n ARG 54 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2lfb n GLY 55 N 0.38 -0.12 3.79 5.14 0.00 0.59 -4.94 105.19 110.03 2lfb n GLY 55 Ca 0.06 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.22 3.33 0.28 1.61 1.01 0.18 -5.00 120.40 117.60 2lfb s VAL 56 Ca 0.03 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2lfb s VAL 56 Cb -0.02 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.13 2lfb s VAL 56 CO 0.91 -0.56 1.52 -1.20 0.00 0.00 0.00 175.10 175.77 2lfb n SER 57 N -3.42 3.47 -0.25 3.32 7.64 -1.26 -4.79 113.62 118.33 2lfb n SER 57 Ca 0.07 1.15 -0.07 0.00 1.01 0.00 0.00 58.87 61.03 2lfb n SER 57 Cb 0.55 -1.54 0.04 0.00 -1.01 0.00 0.00 64.21 62.25 2lfb n SER 57 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2lfb h PRO 58 N 4.45 1.06 -0.00 1.43 0.13 -1.97 -0.67 132.00 136.44 2lfb h PRO 58 Ca -0.46 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2lfb h PRO 58 Cb 1.24 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2lfb h PRO 58 CO 0.77 0.91 0.00 -1.13 -0.23 0.00 0.00 178.00 178.32 2lfb n SER 59 N -4.33 0.07 -2.13 1.44 3.41 -1.26 -3.62 113.62 107.20 2lfb n SER 59 Ca 0.05 -1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 57.32 2lfb n SER 59 Cb 0.21 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2lfb n SER 59 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2lfb n GLN 60 N -0.91 3.54 0.25 4.33 7.27 -0.26 -4.69 117.38 126.91 2lfb n GLN 60 Ca 0.22 -4.23 0.17 0.00 0.07 0.00 0.00 57.00 53.23 2lfb n GLN 60 Cb 0.11 -2.26 0.80 0.00 2.41 0.00 0.00 30.24 31.30 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 2.27 1.00 -0.04 1.69 0.00 -1.62 0.32 119.26 122.89 2lfb h ALA 61 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2lfb h ALA 61 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2lfb h ALA 61 CO 0.77 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.96 2lfb n GLN 62 N -2.76 1.13 0.00 0.00 -0.06 -1.26 -4.22 117.38 110.21 2lfb n GLN 62 Ca -0.01 -0.15 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 2lfb n GLN 62 Cb 0.16 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.14 2lfb n GLN 62 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2lfb n GLY 63 N 0.38 1.03 4.96 1.69 0.00 0.11 -4.79 105.19 108.57 2lfb n GLY 63 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.70 117.00 120.02 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 0.44 0.35 -0.72 0.00 -1.26 -1.19 105.19 102.81 2lfb n GLY 65 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.22 1.77 1.61 0.02 -1.95 -2.78 113.55 110.99 2lfb h SER 66 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2lfb h SER 66 Cb 0.00 0.60 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2lfb h SER 66 CO 0.00 -0.31 -0.09 0.78 -1.14 0.00 0.00 176.83 176.07 2lfb h ASN 67 N -0.15 0.00 -2.20 3.07 4.21 -1.46 -3.22 115.58 115.83 2lfb h ASN 67 Ca 0.24 -0.01 -0.59 0.00 1.21 0.00 0.00 56.30 57.15 2lfb h ASN 67 Cb 0.56 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.81 2lfb h ASN 67 CO -0.71 0.00 0.81 -0.11 -1.29 0.00 0.00 177.43 176.13 2lfb n LEU 68 N -2.84 3.03 -4.90 1.61 7.94 -1.05 -4.76 117.00 116.03 2lfb n LEU 68 Ca 0.04 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.73 2lfb n LEU 68 Cb 0.50 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 2lfb n LEU 68 CO 0.34 -0.32 0.35 0.54 -1.11 0.00 0.00 177.39 177.19 2lfb s VAL 69 N 1.25 4.91 0.11 1.96 0.11 -1.26 -4.91 120.40 122.56 2lfb s VAL 69 Ca 0.81 0.28 -0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2lfb s VAL 69 Cb -0.70 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 2lfb s VAL 69 CO 0.40 -0.54 0.00 0.42 -3.33 0.00 0.00 175.10 172.06 2lfb s THR 70 N -2.36 0.30 0.12 5.04 -4.23 -1.26 -4.95 115.64 108.29 2lfb s THR 70 Ca 0.47 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 2lfb s THR 70 Cb -0.10 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.85 2lfb s THR 70 CO 0.34 -0.70 1.71 1.05 -0.54 0.00 0.00 174.62 176.49 2lfb h GLU 71 N 2.95 0.01 -0.76 3.99 4.11 -1.96 -0.13 114.58 122.79 2lfb h GLU 71 Ca -0.35 -0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.25 2lfb h GLU 71 Cb 1.18 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 2lfb h GLU 71 CO 0.63 0.01 0.52 -0.24 0.07 0.00 0.00 179.01 179.99 2lfb h VAL 72 N 0.01 0.73 0.34 -1.06 3.04 -1.98 0.71 116.25 118.04 2lfb h VAL 72 Ca 0.08 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 2lfb h VAL 72 Cb 0.11 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 29.80 2lfb h VAL 72 CO -0.16 0.05 -0.20 -0.09 -1.01 0.00 0.00 177.57 176.17 2lfb h ARG 73 N 0.29 -0.49 -0.55 4.17 9.65 -1.41 0.03 114.38 126.07 2lfb h ARG 73 Ca 0.38 0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 59.18 2lfb h ARG 73 Cb 1.04 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 2lfb h ARG 73 CO -0.10 -0.33 -0.10 -0.24 2.80 0.00 0.00 179.97 182.01 2lfb h VAL 74 N -0.51 1.27 -1.00 0.20 3.04 -0.85 -0.15 116.25 118.24 2lfb h VAL 74 Ca -0.04 -1.26 0.22 0.00 -1.01 0.00 0.00 66.70 64.61 2lfb h VAL 74 Cb 0.42 0.94 -0.12 0.00 -2.01 0.00 0.00 31.29 30.52 2lfb h VAL 74 CO 0.04 0.45 0.60 0.22 -1.01 0.00 0.00 177.57 177.87 2lfb h TYR 75 N 0.93 1.04 -0.13 3.17 5.03 -0.72 0.13 116.97 126.41 2lfb h TYR 75 Ca 0.15 0.04 -0.23 0.00 2.58 0.00 0.00 58.73 61.26 2lfb h TYR 75 Cb 0.67 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 38.65 2lfb h TYR 75 CO 0.05 0.15 -0.81 -0.91 -1.32 0.00 0.00 178.16 175.32 2lfb h ASN 76 N 0.67 0.95 -0.38 -2.11 2.35 0.21 0.48 115.58 117.74 2lfb h ASN 76 Ca 0.61 -0.64 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2lfb h ASN 76 Cb 1.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 2lfb h ASN 76 CO -0.43 1.44 0.08 4.11 -1.65 0.00 0.00 177.43 180.98 2lfb h TRP 77 N 0.52 0.65 -0.66 1.19 5.08 0.08 -1.93 115.95 120.88 2lfb h TRP 77 Ca -0.06 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.81 2lfb h TRP 77 Cb 1.44 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 27.39 2lfb h TRP 77 CO 0.09 0.64 0.35 0.74 -1.28 0.00 0.00 178.44 178.98 2lfb h PHE 78 N 0.47 0.91 -1.01 0.12 0.04 -0.82 0.17 116.94 116.82 2lfb h PHE 78 Ca 0.12 -0.03 0.26 0.00 2.80 0.00 0.00 57.97 61.12 2lfb h PHE 78 Cb 0.32 -0.29 -0.13 0.00 2.20 0.00 0.00 35.95 38.06 2lfb h PHE 78 CO 0.02 0.65 0.60 0.00 -0.60 0.00 0.00 178.31 178.98 2lfb h ALA 79 N 1.17 1.85 0.03 2.45 0.00 -0.74 0.48 119.26 124.50 2lfb h ALA 79 Ca 0.23 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2lfb h ALA 79 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2lfb h ALA 79 CO -0.04 -0.35 -0.01 -0.97 0.00 0.00 0.00 179.25 177.88 2lfb h ASN 80 N 0.53 -0.03 -0.60 0.00 -1.24 -0.04 -3.24 115.58 110.95 2lfb h ASN 80 Ca 0.66 -0.66 0.06 0.00 0.71 0.00 0.00 56.30 57.07 2lfb h ASN 80 Cb 1.33 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.35 2lfb h ASN 80 CO -0.48 0.68 0.40 0.03 -1.29 0.00 0.00 177.43 176.76 2lfb h ARG 81 N -0.78 0.57 -0.41 6.67 2.47 -0.12 0.25 114.38 123.03 2lfb h ARG 81 Ca -0.00 -0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 2lfb h ARG 81 Cb 0.69 -0.13 -0.09 0.00 -1.65 0.00 0.00 29.97 28.79 2lfb h ARG 81 CO 0.01 0.38 -0.50 0.00 0.56 0.00 0.00 179.97 180.41 2lfb h ARG 82 N 0.59 -0.35 -0.50 0.04 2.47 -1.01 0.14 114.38 115.75 2lfb h ARG 82 Ca 0.26 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.93 2lfb h ARG 82 Cb 0.27 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 2lfb h ARG 82 CO -0.08 -0.24 0.02 -0.22 0.56 0.00 0.00 179.97 180.02 2lfb h LYS 83 N -0.37 0.87 -0.89 0.04 3.11 -0.66 0.59 116.57 119.25 2lfb h LYS 83 Ca 0.10 -0.27 0.10 0.00 -2.81 0.00 0.00 60.65 57.78 2lfb h LYS 83 Cb 0.59 -0.08 -0.07 0.00 -1.00 0.00 0.00 32.23 31.68 2lfb h LYS 83 CO -0.59 0.90 0.58 1.49 -2.81 0.00 0.00 179.45 179.01 2lfb h GLU 84 N 0.74 0.84 0.00 1.90 4.81 -0.55 0.22 114.58 122.53 2lfb h GLU 84 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2lfb h GLU 84 Cb 0.49 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2lfb h GLU 84 CO 0.02 0.56 -0.00 1.49 -0.73 0.00 0.00 179.01 180.35 2lfb h GLU 85 N 0.87 -0.00 -0.70 1.92 4.81 0.21 -0.65 114.58 121.03 2lfb h GLU 85 Ca 0.42 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.70 2lfb h GLU 85 Cb 0.43 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2lfb h GLU 85 CO -0.18 0.90 0.41 0.00 -0.73 0.00 0.00 179.01 179.41 2lfb h ALA 86 N 0.08 0.94 0.03 2.92 0.00 -0.83 -0.27 119.26 122.13 2lfb h ALA 86 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2lfb h ALA 86 Cb 0.90 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2lfb h ALA 86 CO 0.00 0.13 -0.51 0.35 0.00 0.00 0.00 179.25 179.22 2lfb h PHE 87 N 0.77 -1.50 -0.68 0.00 3.57 -0.58 -2.01 116.94 116.52 2lfb h PHE 87 Ca 0.31 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.99 2lfb h PHE 87 Cb 0.14 0.65 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 2lfb h PHE 87 CO -0.06 -0.55 -0.18 -0.09 -2.23 0.00 0.00 178.31 175.20 2lfb h ARG 88 N -0.66 -0.01 -0.34 1.11 1.12 -0.20 0.18 114.38 115.57 2lfb h ARG 88 Ca 0.01 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.94 2lfb h ARG 88 Cb 0.70 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.64 2lfb h ARG 88 CO -0.33 -0.01 0.24 1.25 -3.11 0.00 0.00 179.97 178.02 2lfb h HIS 89 N -0.01 0.19 0.00 2.20 2.76 -0.49 -0.62 115.15 119.19 2lfb h HIS 89 Ca 0.33 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.31 2lfb h HIS 89 Cb 0.51 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2lfb h HIS 89 CO -0.56 0.10 -1.25 0.87 -1.30 0.00 0.00 177.93 175.80 2lfb h LYS 90 N 0.19 0.00 -6.42 5.26 1.57 -0.06 -3.44 116.57 113.67 2lfb h LYS 90 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 2lfb h LYS 90 Cb 0.37 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.73 2lfb h LYS 90 CO -0.03 0.49 0.88 1.28 -0.57 0.00 0.00 179.45 181.50 2lfb n LEU 91 N -3.06 3.13 0.00 2.94 4.77 0.07 -0.38 117.00 124.46 2lfb n LEU 91 Ca -0.08 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2lfb n LEU 91 Cb 0.89 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2lfb n LEU 91 CO 0.44 -0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 2lfb n ALA 92 N 4.42 0.00 -1.91 -1.18 0.00 -1.26 -4.91 120.51 115.68 2lfb n ALA 92 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2lfb n ALA 92 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.19 0.00 0.00 0.00 0.00 0.49 -4.99 117.12 110.43 2lfb n MET 93 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.59 2lfb n MET 93 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 33.22 33.14 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 0.00 0.00 0.00 6.12 -0.08 -1.18 -5.07 116.55 116.35 2lfb n ASP 94 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2lfb n ASP 94 Cb 0.51 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2lfb n ASP 94 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2lfb n THR 95 N -1.42 0.00 -3.09 5.18 -1.04 -1.25 -4.74 114.28 107.92 2lfb n THR 95 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2lfb n THR 95 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2lfb n THR 95 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2lfb n TYR 96 N 0.00 0.00 -3.49 -1.42 4.01 -1.26 -4.85 117.16 110.14 2lfb n TYR 96 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 2lfb n TYR 96 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 2lfb n TYR 96 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2lfb n LYS 97 N 0.00 -2.67 -0.32 -0.72 5.02 -1.26 -4.89 118.16 113.31 2lfb n LYS 97 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2lfb n LYS 97 Cb 0.00 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 2lfb n LYS 97 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2lfb n LEU 98 N -3.81 0.00 0.00 -0.35 -0.00 -1.26 -5.07 117.00 106.51 2lfb n LEU 98 Ca -0.14 -0.73 0.14 0.00 -0.00 0.00 0.00 56.01 55.28 2lfb n LEU 98 Cb 0.62 0.00 0.81 0.00 -0.00 0.00 0.00 43.42 44.85 2lfb n LEU 98 CO 0.64 0.81 0.98 -3.20 -0.00 0.00 0.00 177.39 176.62