#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s ILE 3 N 0.00 1.85 0.34 0.52 -0.00 -1.26 -5.11 121.20 117.55 3fic s ILE 3 Ca 0.00 -1.07 -0.28 0.00 -0.00 0.00 0.00 60.65 59.30 3fic s ILE 3 Cb 0.00 -1.84 -0.12 0.00 -0.00 0.00 0.00 42.46 40.50 3fic s ILE 3 CO 0.00 0.27 1.29 0.35 -0.00 0.00 0.00 174.94 176.85 3fic n THR 4 N 4.63 1.97 -0.29 8.37 -2.24 -1.26 -4.75 114.28 120.71 3fic n THR 4 Ca -0.17 -0.49 0.09 0.00 -2.27 0.00 0.00 64.05 61.21 3fic n THR 4 Cb 0.47 -1.57 0.24 0.00 -2.10 0.00 0.00 70.33 67.37 3fic n THR 4 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fic h LYS 5 N 2.59 0.49 -0.54 -0.78 1.57 -1.99 0.15 116.57 118.07 3fic h LYS 5 Ca -0.46 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.38 3fic h LYS 5 Cb 1.28 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 3fic h LYS 5 CO 0.63 0.32 0.16 0.93 -0.57 0.00 0.00 179.45 180.92 3fic h GLU 6 N 0.50 0.31 -0.13 3.15 5.08 -2.00 -0.27 114.58 121.22 3fic h GLU 6 Ca 0.49 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.61 3fic h GLU 6 Cb 0.79 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.98 3fic h GLU 6 CO -0.43 0.20 -0.78 1.49 -1.00 0.00 0.00 179.01 178.49 3fic h GLU 7 N 0.32 0.75 -0.64 2.33 4.81 -1.19 -3.04 114.58 117.92 3fic h GLU 7 Ca 0.27 -0.64 0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3fic h GLU 7 Cb 0.34 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 3fic h GLU 7 CO -0.31 1.24 0.23 -0.22 -0.73 0.00 0.00 179.01 179.23 3fic h LYS 8 N 0.47 0.39 0.71 1.92 3.64 -0.38 -2.25 116.57 121.07 3fic h LYS 8 Ca -0.06 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3fic h LYS 8 Cb 1.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3fic h LYS 8 CO 0.16 0.26 -0.49 1.96 -2.27 0.00 0.00 179.45 179.06 3fic h GLN 9 N 0.40 -1.11 -0.52 1.90 1.08 -1.04 -2.65 115.11 113.18 3fic h GLN 9 Ca 0.33 0.08 0.11 0.00 -1.45 0.00 0.00 58.65 57.71 3fic h GLN 9 Cb 0.43 0.25 -0.10 0.00 -0.05 0.00 0.00 27.48 28.02 3fic h GLN 9 CO -0.34 -0.74 -0.11 1.17 -0.95 0.00 0.00 178.83 177.87 3fic n LYS 10 N -5.61 -0.05 0.00 1.46 3.00 -0.86 0.10 118.16 116.21 3fic n LYS 10 Ca -0.14 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 3fic n LYS 10 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.31 3fic n LYS 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3fic n VAL 11 N -4.81 0.00 -0.27 3.15 0.31 -1.02 -1.48 118.33 114.22 3fic n VAL 11 Ca 0.09 1.50 -0.07 0.00 -0.01 0.00 0.00 64.34 65.85 3fic n VAL 11 Cb 0.28 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 30.72 3fic n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3fic n ILE 12 N -2.13 -0.43 -0.04 2.52 5.41 0.29 0.18 119.36 125.15 3fic n ILE 12 Ca 0.00 1.93 0.24 0.00 1.00 0.00 0.00 62.75 65.92 3fic n ILE 12 Cb 0.00 -2.43 0.72 0.00 -0.71 0.00 0.00 39.64 37.22 3fic n ILE 12 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3fic h GLN 13 N 0.00 0.00 0.00 0.38 4.20 -0.94 0.50 115.11 119.25 3fic h GLN 13 Ca 0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3fic h GLN 13 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3fic h GLN 13 CO -0.59 0.00 -0.43 1.49 -0.67 0.00 0.00 178.83 178.63 3fic h GLU 14 N 0.00 0.00 -0.00 1.46 4.57 0.30 -3.35 114.58 117.56 3fic h GLU 14 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3fic h GLU 14 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 3fic h GLU 14 CO -0.00 0.43 -0.35 1.19 -1.18 0.00 0.00 179.01 179.10 3fic n PHE 15 N -3.27 0.00 -1.68 0.92 3.01 0.02 -5.00 117.46 111.46 3fic n PHE 15 Ca 0.02 0.00 -0.52 0.00 1.01 0.00 0.00 57.45 57.96 3fic n PHE 15 Cb 0.66 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.08 3fic n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fic n ALA 16 N -1.09 0.34 0.26 4.37 0.00 -0.33 -4.61 120.51 119.45 3fic n ALA 16 Ca 0.02 0.36 0.03 0.00 0.00 0.00 0.00 53.44 53.86 3fic n ALA 16 Cb 0.13 -2.34 0.16 0.00 0.00 0.00 0.00 19.45 17.40 3fic n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fic n ARG 17 N 5.38 0.02 -3.55 0.00 5.12 -1.26 -4.75 116.66 117.62 3fic n ARG 17 Ca 0.23 0.35 -0.07 0.00 -1.93 0.00 0.00 57.85 56.43 3fic n ARG 17 Cb 0.22 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.00 3fic n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3fic s PHE 18 N -2.92 -0.24 0.25 -1.55 -0.12 -1.26 -5.13 117.98 107.00 3fic s PHE 18 Ca 0.04 0.17 -0.28 0.00 -0.05 0.00 0.00 56.93 56.81 3fic s PHE 18 Cb 0.05 0.52 -0.15 0.00 -0.63 0.00 0.00 43.02 42.80 3fic s PHE 18 CO 0.13 -0.36 0.78 -2.30 -0.05 0.00 0.00 175.22 173.41 3fic n PRO 19 N -0.10 0.71 0.00 1.99 -0.02 -1.26 -3.66 135.00 132.66 3fic n PRO 19 Ca -0.04 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3fic n PRO 19 Cb 0.60 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3fic n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fic n GLY 20 N 1.59 1.74 3.12 -1.23 0.00 -1.26 -4.98 105.19 104.17 3fic n GLY 20 Ca 0.14 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 3fic n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fic n ASP 21 N 6.12 -6.94 0.02 1.61 4.64 -1.24 -4.89 116.55 115.87 3fic n ASP 21 Ca 0.00 0.26 0.13 0.00 -1.38 0.00 0.00 54.79 53.79 3fic n ASP 21 Cb 0.00 -3.83 0.37 0.00 -1.04 0.00 0.00 41.12 36.63 3fic n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3fic n THR 22 N -0.23 0.12 -3.05 5.18 -2.24 -1.26 -4.80 114.28 108.00 3fic n THR 22 Ca 0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3fic n THR 22 Cb 0.55 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3fic n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fic n GLY 23 N 1.45 5.22 0.00 3.38 0.00 -1.26 -4.98 105.19 109.00 3fic n GLY 23 Ca 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3fic n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fic n SER 24 N -0.13 0.00 0.00 1.61 3.41 -1.26 -4.64 113.62 112.61 3fic n SER 24 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3fic n SER 24 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3fic n SER 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fic n THR 25 N -0.22 0.00 -0.24 6.66 -1.04 -1.26 -0.21 114.28 117.97 3fic n THR 25 Ca 0.00 1.29 0.00 0.00 -2.04 0.00 0.00 64.05 63.30 3fic n THR 25 Cb 0.00 -2.29 0.04 0.00 -1.82 0.00 0.00 70.33 66.26 3fic n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3fic n GLU 26 N -1.98 -0.13 0.00 -2.82 -0.58 -1.26 -0.64 120.64 113.22 3fic n GLU 26 Ca 0.00 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.71 3fic n GLU 26 Cb 0.00 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3fic n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3fic n VAL 27 N -4.94 0.00 -0.20 2.62 0.31 -1.19 -1.28 118.33 113.64 3fic n VAL 27 Ca 0.07 1.11 0.20 0.00 -0.01 0.00 0.00 64.34 65.71 3fic n VAL 27 Cb 0.26 -2.08 0.36 0.00 -0.91 0.00 0.00 33.84 31.47 3fic n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fic n GLN 28 N -1.89 -0.04 0.17 5.55 6.02 0.71 0.94 117.38 128.85 3fic n GLN 28 Ca 0.00 0.83 -0.07 0.00 -0.01 0.00 0.00 57.00 57.74 3fic n GLN 28 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 3fic n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fic h VAL 29 N 0.00 0.00 -0.90 5.09 2.07 -0.84 -1.45 116.25 120.22 3fic h VAL 29 Ca 0.52 -0.39 0.18 0.00 0.82 0.00 0.00 66.70 67.83 3fic h VAL 29 Cb 1.38 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.98 3fic h VAL 29 CO -0.45 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 176.92 3fic h ALA 30 N -1.39 0.61 0.84 1.67 0.00 0.19 0.93 119.26 122.12 3fic h ALA 30 Ca -0.05 0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3fic h ALA 30 Cb 0.37 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fic h ALA 30 CO 0.08 -0.39 -0.48 -0.07 0.00 0.00 0.00 179.25 178.39 3fic h LEU 31 N 0.00 -1.18 -0.71 0.00 4.07 -0.91 -1.65 115.31 114.94 3fic h LEU 31 Ca 0.44 0.06 0.14 0.00 0.08 0.00 0.00 57.88 58.60 3fic h LEU 31 Cb 0.67 0.33 -0.13 0.00 1.08 0.00 0.00 40.66 42.61 3fic h LEU 31 CO -0.93 -0.76 -0.17 -0.07 -1.08 0.00 0.00 178.44 175.43 3fic h LEU 32 N -1.22 -0.64 -0.03 1.67 3.38 0.03 -0.63 115.31 117.86 3fic h LEU 32 Ca -0.11 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fic h LEU 32 Cb 0.96 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 3fic h LEU 32 CO 0.14 -0.23 -0.07 0.74 0.09 0.00 0.00 178.44 179.11 3fic h THR 33 N 0.00 0.00 -0.79 0.22 2.02 -0.64 0.61 112.91 114.33 3fic h THR 33 Ca 0.34 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.63 3fic h THR 33 Cb 0.52 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.81 3fic h THR 33 CO -0.72 0.00 -0.35 -0.11 0.37 0.00 0.00 175.52 174.71 3fic n LEU 34 N -2.98 -0.59 -0.10 2.58 7.94 -0.35 0.16 117.00 123.66 3fic n LEU 34 Ca -0.01 1.39 -0.06 0.00 -1.11 0.00 0.00 56.01 56.22 3fic n LEU 34 Cb 0.05 -0.28 0.01 0.00 0.53 0.00 0.00 43.42 43.73 3fic n LEU 34 CO 0.01 -1.22 0.93 0.03 -1.11 0.00 0.00 177.39 176.03 3fic h ARG 35 N 0.00 0.24 0.01 1.96 3.08 -0.08 -2.51 114.38 117.08 3fic h ARG 35 Ca 0.24 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3fic h ARG 35 Cb 0.44 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3fic h ARG 35 CO -0.78 0.16 -0.25 0.82 -1.07 0.00 0.00 179.97 178.85 3fic h ILE 36 N 0.25 0.00 -0.48 2.04 2.04 0.71 0.18 117.51 122.25 3fic h ILE 36 Ca 0.16 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.11 3fic h ILE 36 Cb 0.14 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.12 3fic h ILE 36 CO -0.17 0.00 -0.27 0.78 0.00 0.00 0.00 178.15 178.49 3fic h ASN 37 N -0.32 -0.91 -0.21 1.72 -0.26 -1.35 2.07 115.58 116.31 3fic h ASN 37 Ca 0.00 0.19 0.03 0.00 -0.56 0.00 0.00 56.30 55.96 3fic h ASN 37 Cb 0.34 0.47 -0.04 0.00 -1.06 0.00 0.00 38.32 38.02 3fic h ASN 37 CO -0.16 -0.28 -0.28 0.03 -1.06 0.00 0.00 177.43 175.68 3fic h ARG 38 N -0.16 -0.19 -0.82 0.81 2.47 -1.12 0.39 114.38 115.76 3fic h ARG 38 Ca 0.22 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 59.05 3fic h ARG 38 Cb 0.50 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 3fic h ARG 38 CO -0.58 -0.13 0.54 1.25 0.56 0.00 0.00 179.97 181.61 3fic h LEU 39 N -0.20 0.67 0.00 3.04 7.12 0.12 -2.07 115.31 124.00 3fic h LEU 39 Ca 0.04 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.07 3fic h LEU 39 Cb 0.30 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 3fic h LEU 39 CO -0.31 0.39 0.00 -0.24 -0.13 0.00 0.00 178.44 178.15 3fic n SER 40 N -4.52 0.00 -0.49 1.25 2.88 0.68 -1.70 113.62 111.73 3fic n SER 40 Ca 0.14 0.86 0.39 0.00 -1.33 0.00 0.00 58.87 58.93 3fic n SER 40 Cb 0.35 -0.36 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 3fic n SER 40 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3fic n GLU 41 N -1.81 -0.02 0.00 -1.46 4.07 0.11 -1.05 120.64 120.48 3fic n GLU 41 Ca 0.00 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 3fic n GLU 41 Cb 0.00 -2.13 0.00 0.00 -0.06 0.00 0.00 31.44 29.25 3fic n GLU 41 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 3fic n HIS 42 N -4.12 0.00 0.15 4.31 -0.00 -0.69 -3.10 115.22 111.78 3fic n HIS 42 Ca 0.36 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.73 3fic n HIS 42 Cb 1.50 -0.38 0.73 0.00 -0.12 0.00 0.00 29.99 31.72 3fic n HIS 42 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 3fic h LEU 43 N 0.00 0.00 0.00 0.27 3.38 -0.54 0.79 115.31 119.21 3fic h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fic h LEU 43 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fic h LEU 43 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70 3fic n LYS 44 N -3.43 0.24 0.00 1.13 4.81 -0.63 -2.16 118.16 118.12 3fic n LYS 44 Ca 0.05 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3fic n LYS 44 Cb 0.62 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.17 3fic n LYS 44 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3fic n VAL 45 N -1.11 0.00 -2.89 3.15 0.31 0.27 -4.82 118.33 113.24 3fic n VAL 45 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 3fic n VAL 45 Cb 0.05 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.35 3fic n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3fic n HIS 46 N -2.17 3.37 -0.32 3.52 8.25 -0.89 -4.83 115.22 122.15 3fic n HIS 46 Ca 0.00 -3.35 0.17 0.00 -0.26 0.00 0.00 57.72 54.28 3fic n HIS 46 Cb 0.44 -0.83 0.36 0.00 1.12 0.00 0.00 29.99 31.08 3fic n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3fic h LYS 47 N 3.80 0.36 0.00 -0.41 1.79 -1.78 0.89 116.57 121.21 3fic h LYS 47 Ca 0.30 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3fic h LYS 47 Cb 0.46 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3fic h LYS 47 CO 1.01 0.24 0.00 0.87 -1.08 0.00 0.00 179.45 180.48 3fic h LYS 48 N 0.37 0.00 -5.25 3.15 1.79 -1.88 -3.36 116.57 111.40 3fic h LYS 48 Ca 0.62 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 58.38 3fic h LYS 48 Cb 1.26 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.79 3fic h LYS 48 CO -0.57 0.00 1.97 -3.47 -1.08 0.00 0.00 179.45 176.30 3fic n ASP 49 N -2.92 4.98 -0.01 0.86 2.03 0.31 -4.81 116.55 116.98 3fic n ASP 49 Ca -0.02 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.21 3fic n ASP 49 Cb 0.09 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 38.72 3fic n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3fic h HIS 50 N 7.23 -0.02 -0.88 -0.67 3.86 -1.82 -3.05 115.15 119.81 3fic h HIS 50 Ca 0.41 -0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.85 3fic h HIS 50 Cb 0.84 0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.17 3fic h HIS 50 CO 1.31 0.51 0.16 0.45 0.86 0.00 0.00 177.93 181.22 3fic h HIS 51 N -0.56 0.21 -0.23 2.45 3.86 -1.96 2.26 115.15 121.17 3fic h HIS 51 Ca -0.00 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3fic h HIS 51 Cb 0.54 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3fic h HIS 51 CO 0.11 -0.26 -0.09 0.77 0.86 0.00 0.00 177.93 179.32 3fic h SER 52 N 0.15 0.35 0.01 2.45 0.02 -1.97 -2.44 113.55 112.11 3fic h SER 52 Ca 0.54 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.45 3fic h SER 52 Cb 1.08 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 3fic h SER 52 CO -0.71 0.48 -0.25 -0.74 -1.14 0.00 0.00 176.83 174.47 3fic h HIS 53 N 0.35 -0.67 -0.99 3.45 2.76 0.39 -2.00 115.15 118.43 3fic h HIS 53 Ca 0.07 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 3fic h HIS 53 Cb 0.38 0.30 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 3fic h HIS 53 CO 0.01 -0.34 -0.51 -2.13 -1.30 0.00 0.00 177.93 173.66 3fic n ARG 54 N -5.37 -0.36 -0.33 5.26 0.63 -0.69 0.14 116.66 115.95 3fic n ARG 54 Ca -0.05 1.51 0.19 0.00 -0.92 0.00 0.00 57.85 58.59 3fic n ARG 54 Cb 0.28 -2.23 0.40 0.00 0.45 0.00 0.00 32.46 31.37 3fic n ARG 54 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3fic h GLY 55 N 0.00 1.86 0.29 5.14 0.00 -1.28 -1.01 103.07 108.07 3fic h GLY 55 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3fic h GLY 55 CO -0.95 -0.38 -0.27 -2.00 0.00 0.00 0.00 176.54 172.93 3fic h LEU 56 N 0.38 -0.73 -0.70 3.11 5.85 0.16 -1.49 115.31 121.89 3fic h LEU 56 Ca 0.66 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.51 3fic h LEU 56 Cb 1.40 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.58 3fic h LEU 56 CO -0.57 -0.36 -0.39 0.18 -0.34 0.00 0.00 178.44 176.95 3fic n LEU 57 N -3.99 -0.70 0.00 2.25 4.77 -0.41 0.12 117.00 119.03 3fic n LEU 57 Ca -0.07 1.24 -0.04 0.00 -0.03 0.00 0.00 56.01 57.12 3fic n LEU 57 Cb 0.25 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3fic n LEU 57 CO 0.15 -1.03 0.50 0.24 -1.33 0.00 0.00 177.39 175.92 3fic h MET 58 N 0.00 -0.16 -0.99 3.23 2.86 -1.33 0.87 114.93 119.42 3fic h MET 58 Ca 0.13 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 58.06 3fic h MET 58 Cb 0.30 0.04 -0.18 0.00 0.06 0.00 0.00 31.60 31.82 3fic h MET 58 CO -0.66 -0.10 0.07 0.52 1.06 0.00 0.00 176.91 177.79 3fic h MET 59 N -0.16 0.01 0.13 1.72 2.86 0.78 0.27 114.93 120.55 3fic h MET 59 Ca 0.01 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3fic h MET 59 Cb 0.18 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3fic h MET 59 CO -0.11 0.01 -0.16 0.28 1.06 0.00 0.00 176.91 177.99 3fic h VAL 60 N 0.01 0.64 0.04 -2.22 2.07 0.38 -2.53 116.25 114.64 3fic h VAL 60 Ca 0.62 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.13 3fic h VAL 60 Cb 1.30 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3fic h VAL 60 CO -0.91 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 177.89 3fic h GLY 61 N -0.34 -0.06 -0.63 2.17 0.00 0.40 -2.03 103.07 102.58 3fic h GLY 61 Ca 0.01 0.02 0.27 0.00 0.00 0.00 0.00 47.33 47.63 3fic h GLY 61 CO -0.06 -0.02 0.24 -1.61 0.00 0.00 0.00 176.54 175.09 3fic h GLN 62 N -0.21 0.14 -0.39 4.80 5.75 -0.97 1.08 115.11 125.31 3fic h GLN 62 Ca -0.01 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 3fic h GLN 62 Cb 0.19 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3fic h GLN 62 CO 0.01 0.09 -0.03 -0.09 -2.65 0.00 0.00 178.83 176.16 3fic h ARG 63 N 0.15 0.71 0.02 1.69 2.43 -1.17 -2.19 114.38 116.01 3fic h ARG 63 Ca 0.61 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 3fic h ARG 63 Cb 1.30 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3fic h ARG 63 CO -0.72 0.82 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.29 3fic h ARG 64 N 0.52 -0.23 0.00 0.20 2.43 0.17 -1.81 114.38 115.67 3fic h ARG 64 Ca 0.11 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3fic h ARG 64 Cb 0.52 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3fic h ARG 64 CO 0.03 -0.15 0.00 0.54 -1.51 0.00 0.00 179.97 178.87 3fic n ARG 65 N -3.47 0.00 -0.07 0.20 3.00 0.99 -1.59 116.66 115.72 3fic n ARG 65 Ca -0.03 0.57 -0.03 0.00 -0.01 0.00 0.00 57.85 58.36 3fic n ARG 65 Cb 0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 32.46 31.72 3fic n ARG 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3fic h LEU 66 N 0.00 -0.45 -0.97 0.55 4.07 -1.16 0.27 115.31 117.63 3fic h LEU 66 Ca 0.00 0.07 0.31 0.00 0.08 0.00 0.00 57.88 58.33 3fic h LEU 66 Cb 0.00 0.19 -0.17 0.00 1.08 0.00 0.00 40.66 41.76 3fic h LEU 66 CO 0.00 -0.06 0.26 -0.07 -1.08 0.00 0.00 178.44 177.48 3fic h LEU 67 N -0.03 -0.07 -0.19 1.67 3.38 -0.43 0.58 115.31 120.22 3fic h LEU 67 Ca 0.03 0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3fic h LEU 67 Cb 0.10 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3fic h LEU 67 CO -0.18 -0.31 -0.10 -0.09 0.09 0.00 0.00 178.44 177.85 3fic h ARG 68 N 0.08 -0.07 0.46 1.13 2.43 0.48 1.36 114.38 120.25 3fic h ARG 68 Ca 0.67 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.83 3fic h ARG 68 Cb 1.51 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 3fic h ARG 68 CO -0.79 -0.05 -0.43 -0.92 -1.51 0.00 0.00 179.97 176.27 3fic h TYR 69 N -0.08 -1.17 -0.07 2.20 3.20 0.13 -0.87 116.97 120.31 3fic h TYR 69 Ca 0.10 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3fic h TYR 69 Cb 0.23 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3fic h TYR 69 CO -0.25 -0.59 -0.13 1.25 -1.64 0.00 0.00 178.16 176.80 3fic h LEU 70 N -0.89 -0.43 -0.94 2.82 5.85 0.68 0.38 115.31 122.78 3fic h LEU 70 Ca -0.05 0.05 0.33 0.00 0.84 0.00 0.00 57.88 59.06 3fic h LEU 70 Cb 0.78 0.17 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 3fic h LEU 70 CO -0.05 -0.10 0.26 1.67 -0.34 0.00 0.00 178.44 179.88 3fic n GLN 71 N -3.30 -0.07 0.27 1.25 7.27 0.46 0.01 117.38 123.27 3fic n GLN 71 Ca -0.01 1.36 -0.11 0.00 0.07 0.00 0.00 57.00 58.30 3fic n GLN 71 Cb 0.08 -2.29 -0.05 0.00 2.41 0.00 0.00 30.24 30.39 3fic n GLN 71 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3fic h ARG 72 N 0.00 -0.70 -0.60 3.69 2.43 0.73 -3.23 114.38 116.70 3fic h ARG 72 Ca 0.69 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.98 3fic h ARG 72 Cb 1.65 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 31.29 3fic h ARG 72 CO -0.81 -0.47 0.25 0.93 -1.51 0.00 0.00 179.97 178.37 3fic h GLU 73 N -1.03 0.45 -2.38 0.20 4.39 0.13 -3.42 114.58 112.92 3fic h GLU 73 Ca -0.07 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3fic h GLU 73 Cb 0.56 -0.10 -0.25 0.00 -0.10 0.00 0.00 28.75 28.86 3fic h GLU 73 CO 0.12 0.30 -0.25 0.34 -1.16 0.00 0.00 179.01 178.35 3fic s ASP 74 N -5.43 -0.58 -0.06 1.42 2.15 0.10 -5.05 116.67 109.22 3fic s ASP 74 Ca -0.13 1.15 -0.25 0.00 0.43 0.00 0.00 52.55 53.75 3fic s ASP 74 Cb 0.16 1.40 -0.24 0.00 -0.30 0.00 0.00 42.92 43.94 3fic s ASP 74 CO 0.74 -0.22 0.99 1.55 -0.17 0.00 0.00 175.17 178.07 3fic h PRO 75 N 7.73 0.14 0.00 4.34 0.13 -1.76 -3.27 132.00 139.32 3fic h PRO 75 Ca -0.23 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3fic h PRO 75 Cb 1.14 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fic h PRO 75 CO 0.16 0.93 0.00 -1.91 -0.23 0.00 0.00 178.00 176.95 3fic n GLU 76 N -4.52 0.00 0.00 0.86 4.07 -1.26 0.92 120.64 120.71 3fic n GLU 76 Ca -0.10 0.29 0.03 0.00 -0.06 0.00 0.00 57.16 57.32 3fic n GLU 76 Cb 0.50 -0.65 0.19 0.00 -0.06 0.00 0.00 31.44 31.42 3fic n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3fic n ARG 77 N -0.70 0.25 -0.02 5.31 1.85 -1.26 -2.04 116.66 120.05 3fic n ARG 77 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3fic n ARG 77 Cb 0.00 -1.40 -0.00 0.00 -1.05 0.00 0.00 32.46 30.01 3fic n ARG 77 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 3fic h TYR 78 N 0.00 -0.01 -0.91 2.89 3.20 0.49 -2.40 116.97 120.23 3fic h TYR 78 Ca 0.00 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 3fic h TYR 78 Cb 0.00 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.11 3fic h TYR 78 CO 0.00 -0.01 -0.04 0.00 -1.64 0.00 0.00 178.16 176.47 3fic h ARG 79 N -0.53 0.04 -0.01 1.82 3.08 -0.48 -0.36 114.38 117.94 3fic h ARG 79 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fic h ARG 79 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3fic h ARG 79 CO 0.00 0.02 -0.04 0.00 -1.07 0.00 0.00 179.97 178.89 3fic h ALA 80 N 1.89 -0.42 0.08 0.04 0.00 -1.53 0.63 119.26 119.95 3fic h ALA 80 Ca 0.51 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.42 3fic h ALA 80 Cb 0.95 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3fic h ALA 80 CO -0.86 -0.44 -0.29 1.25 0.00 0.00 0.00 179.25 178.91 3fic h LEU 81 N -0.03 -0.87 -0.95 0.00 5.85 -0.64 0.87 115.31 119.53 3fic h LEU 81 Ca 0.00 0.09 0.25 0.00 0.84 0.00 0.00 57.88 59.06 3fic h LEU 81 Cb 0.04 0.32 -0.13 0.00 0.37 0.00 0.00 40.66 41.26 3fic h LEU 81 CO -0.03 -0.31 0.48 -0.29 -0.34 0.00 0.00 178.44 177.95 3fic h ILE 82 N -0.42 0.45 0.44 4.05 -0.00 -1.09 0.03 117.51 120.96 3fic h ILE 82 Ca -0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 64.86 64.68 3fic h ILE 82 Cb 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.22 3fic h ILE 82 CO -0.15 0.08 -0.21 -0.08 -0.00 0.00 0.00 178.15 177.79 3fic h GLU 83 N 0.43 -0.57 -0.86 2.19 4.81 0.12 0.35 114.58 121.05 3fic h GLU 83 Ca 0.62 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.98 3fic h GLU 83 Cb 1.24 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.68 3fic h GLU 83 CO -0.53 -0.29 0.52 0.87 -0.73 0.00 0.00 179.01 178.84 3fic h LYS 84 N -0.78 0.87 0.00 1.92 1.57 0.14 0.31 116.57 120.59 3fic h LYS 84 Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3fic h LYS 84 Cb 0.54 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3fic h LYS 84 CO 0.10 0.57 0.00 -0.07 -0.57 0.00 0.00 179.45 179.48 3fic h LEU 85 N 0.89 0.00 -2.51 2.94 3.38 -1.01 -3.48 115.31 115.52 3fic h LEU 85 Ca 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3fic h LEU 85 Cb 0.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.08 3fic h LEU 85 CO -0.22 0.00 -0.23 0.61 0.09 0.00 0.00 178.44 178.69 3fic n GLY 86 N 1.01 -1.23 0.00 0.83 0.00 0.11 -5.04 105.19 100.87 3fic n GLY 86 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3fic n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fic n ILE 87 N -2.11 0.00 -3.14 -0.61 5.41 -0.49 -4.94 119.36 113.48 3fic n ILE 87 Ca -0.04 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.40 3fic n ILE 87 Cb 0.53 -0.10 0.03 0.00 -0.71 0.00 0.00 39.64 39.39 3fic n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3fic n ARG 88 N 0.00 -1.53 0.00 0.38 1.74 -1.26 -4.98 116.66 111.01 3fic n ARG 88 Ca 0.00 1.08 0.13 0.00 -0.77 0.00 0.00 57.85 58.29 3fic n ARG 88 Cb 0.00 -1.66 0.42 0.00 -1.02 0.00 0.00 32.46 30.20 3fic n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52