#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi6 s LYS 7 N 0.00 0.45 0.08 -0.99 1.02 -1.26 -5.19 119.74 113.86 1fi6 s LYS 7 Ca 0.00 0.10 0.09 0.00 0.02 0.00 0.00 55.97 56.18 1fi6 s LYS 7 Cb 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1fi6 s LYS 7 CO 0.00 -0.14 -0.23 0.42 -0.92 0.00 0.00 175.35 174.48 1fi6 s ILE 8 N -1.14 1.87 -0.07 2.17 1.01 -1.26 -5.12 121.20 118.66 1fi6 s ILE 8 Ca 0.01 -1.44 -0.28 0.00 0.00 0.00 0.00 60.65 58.95 1fi6 s ILE 8 Cb -0.01 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1fi6 s ILE 8 CO -0.01 0.13 0.90 -0.89 0.00 0.00 0.00 174.94 175.07 1fi6 s THR 9 N -0.96 4.89 0.47 2.92 2.01 -1.26 -4.92 115.64 118.80 1fi6 s THR 9 Ca 0.09 1.84 0.32 0.00 0.31 0.00 0.00 61.69 64.25 1fi6 s THR 9 Cb -0.10 -4.22 0.52 0.00 0.01 0.00 0.00 72.50 68.71 1fi6 s THR 9 CO 0.03 0.12 1.68 -0.78 -0.69 0.00 0.00 174.62 174.99 1fi6 h ASP 10 N 6.95 0.20 -0.77 3.53 3.58 -2.00 1.26 116.42 129.18 1fi6 h ASP 10 Ca -0.37 0.08 0.13 0.00 0.42 0.00 0.00 57.03 57.29 1fi6 h ASP 10 Cb 1.18 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.20 1fi6 h ASP 10 CO 0.79 -0.06 0.35 -0.33 -2.88 0.00 0.00 179.24 177.10 1fi6 h GLU 11 N 0.12 0.51 0.00 0.28 5.08 -2.03 0.59 114.58 119.13 1fi6 h GLU 11 Ca 0.74 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1fi6 h GLU 11 Cb 2.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.62 1fi6 h GLU 11 CO -0.25 0.34 0.00 0.37 -1.00 0.00 0.00 179.01 178.47 1fi6 h GLN 12 N 0.53 0.00 0.34 2.33 5.75 0.12 -3.28 115.11 120.90 1fi6 h GLN 12 Ca 0.41 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1fi6 h GLN 12 Cb 0.57 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1fi6 h GLN 12 CO -0.36 0.00 -0.33 -0.09 -2.65 0.00 0.00 178.83 175.40 1fi6 h ARG 13 N 0.00 -0.68 -0.36 1.69 9.65 0.64 -2.79 114.38 122.53 1fi6 h ARG 13 Ca 0.00 0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.84 1fi6 h ARG 13 Cb 0.57 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 1fi6 h ARG 13 CO 0.00 -0.45 -0.14 -0.56 2.80 0.00 0.00 179.97 181.62 1fi6 h GLN 14 N -0.70 0.65 -0.74 0.20 3.07 -1.61 -2.92 115.11 113.05 1fi6 h GLN 14 Ca -0.02 -0.21 0.15 0.00 0.09 0.00 0.00 58.65 58.66 1fi6 h GLN 14 Cb 0.63 -0.06 -0.14 0.00 0.08 0.00 0.00 27.48 28.00 1fi6 h GLN 14 CO -0.06 0.76 -0.19 -0.92 0.09 0.00 0.00 178.83 178.51 1fi6 h TYR 15 N 0.59 -0.42 0.09 0.06 3.20 -1.56 0.70 116.97 119.63 1fi6 h TYR 15 Ca 0.10 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1fi6 h TYR 15 Cb 0.57 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1fi6 h TYR 15 CO 0.02 -0.32 -0.04 1.88 -1.64 0.00 0.00 178.16 178.06 1fi6 h TYR 16 N -0.01 -0.11 -0.88 -3.82 0.05 -1.50 -3.30 116.97 107.40 1fi6 h TYR 16 Ca 0.35 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.31 1fi6 h TYR 16 Cb 0.54 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.25 1fi6 h TYR 16 CO -0.60 0.44 0.58 0.28 -1.05 0.00 0.00 178.16 177.81 1fi6 h VAL 17 N -0.84 0.73 -0.97 -2.88 2.07 -1.24 -2.01 116.25 111.11 1fi6 h VAL 17 Ca -0.01 -0.17 0.30 0.00 0.82 0.00 0.00 66.70 67.64 1fi6 h VAL 17 Cb 0.59 0.20 -0.17 0.00 -1.52 0.00 0.00 31.29 30.39 1fi6 h VAL 17 CO 0.02 0.09 0.19 0.78 0.02 0.00 0.00 177.57 178.67 1fi6 h ASN 18 N 0.49 -0.19 0.00 0.57 4.21 0.33 0.70 115.58 121.69 1fi6 h ASN 18 Ca 0.46 0.26 -0.37 0.00 1.21 0.00 0.00 56.30 57.86 1fi6 h ASN 18 Cb 1.02 0.39 -0.05 0.00 -1.12 0.00 0.00 38.32 38.55 1fi6 h ASN 18 CO -0.19 -0.33 -2.01 0.00 -1.29 0.00 0.00 177.43 173.61 1fi6 n GLN 19 N -5.38 0.58 0.17 0.81 6.02 -0.81 -4.35 117.38 114.43 1fi6 n GLN 19 Ca 0.26 0.39 0.18 0.00 -0.01 0.00 0.00 57.00 57.82 1fi6 n GLN 19 Cb 0.86 -1.60 0.80 0.00 1.02 0.00 0.00 30.24 31.33 1fi6 n GLN 19 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1fi6 h PHE 20 N -1.00 0.00 -1.43 1.08 -1.00 -1.11 -2.02 116.94 111.45 1fi6 h PHE 20 Ca -0.55 0.00 0.42 0.00 2.81 0.00 0.00 57.97 60.65 1fi6 h PHE 20 Cb 1.48 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.96 1fi6 h PHE 20 CO -0.02 0.00 0.99 0.87 -1.61 0.00 0.00 178.31 178.54 1fi6 h LYS 21 N 0.00 0.07 -1.25 1.51 1.57 0.44 0.91 116.57 119.82 1fi6 h LYS 21 Ca 0.12 -0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.26 1fi6 h LYS 21 Cb 0.69 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1fi6 h LYS 21 CO -0.00 0.05 0.85 1.15 -0.57 0.00 0.00 179.45 180.93 1fi6 h THR 22 N 0.07 0.33 0.00 -0.16 2.02 -1.62 -3.13 112.91 110.43 1fi6 h THR 22 Ca 0.75 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.88 1fi6 h THR 22 Cb 2.68 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1fi6 h THR 22 CO -0.16 0.03 -0.97 -0.38 0.37 0.00 0.00 175.52 174.40 1fi6 n ILE 23 N -4.42 0.00 -3.50 3.11 5.41 0.25 -4.93 119.36 115.28 1fi6 n ILE 23 Ca 0.30 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.63 1fi6 n ILE 23 Cb 1.26 -0.98 -0.05 0.00 -0.71 0.00 0.00 39.64 39.16 1fi6 n ILE 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1fi6 s GLN 24 N -1.98 3.28 -0.08 0.38 2.00 0.23 -4.68 119.66 118.81 1fi6 s GLN 24 Ca 0.00 -2.69 -0.19 0.00 -2.00 0.00 0.00 55.36 50.48 1fi6 s GLN 24 Cb 0.00 -4.14 -0.15 0.00 0.80 0.00 0.00 33.01 29.52 1fi6 s GLN 24 CO 0.00 -1.24 0.69 -1.00 -0.50 0.00 0.00 175.29 173.24 1fi6 h PRO 25 N 7.15 -0.12 0.00 1.67 0.13 -1.79 -3.18 132.00 135.86 1fi6 h PRO 25 Ca 0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1fi6 h PRO 25 Cb 0.96 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1fi6 h PRO 25 CO 0.78 0.36 0.00 -3.47 -0.23 0.00 0.00 178.00 175.44 1fi6 n ASP 26 N -4.83 0.45 0.07 1.44 2.03 -1.26 -4.93 116.55 109.53 1fi6 n ASP 26 Ca -0.07 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.37 1fi6 n ASP 26 Cb 0.27 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.14 1fi6 n ASP 26 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1fi6 n LEU 27 N 0.00 0.45 -2.17 -2.67 4.32 -1.26 -3.23 117.00 112.44 1fi6 n LEU 27 Ca 0.00 0.56 -0.28 0.00 -0.02 0.00 0.00 56.01 56.27 1fi6 n LEU 27 Cb 0.00 -0.44 0.07 0.00 -1.62 0.00 0.00 43.42 41.43 1fi6 n LEU 27 CO 0.00 -0.21 1.37 -3.20 -1.22 0.00 0.00 177.39 174.13 1fi6 n ASN 28 N -1.94 7.18 -4.23 -1.43 5.15 -1.26 -4.67 115.26 114.05 1fi6 n ASN 28 Ca 0.05 -3.53 -0.19 0.00 -0.60 0.00 0.00 54.58 50.31 1fi6 n ASN 28 Cb 0.34 -1.00 -0.12 0.00 -0.53 0.00 0.00 39.78 38.47 1fi6 n ASN 28 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1fi6 s GLY 29 N -1.12 1.05 -0.03 8.20 0.00 -1.20 -5.00 107.32 109.21 1fi6 s GLY 29 Ca 0.53 -1.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 1fi6 s GLY 29 CO -0.01 -1.26 0.08 -1.36 0.00 0.00 0.00 173.10 170.56 1fi6 s PHE 30 N -1.76 -0.08 -0.26 1.90 0.08 -1.26 -3.34 117.98 113.25 1fi6 s PHE 30 Ca 0.06 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.34 1fi6 s PHE 30 Cb -0.07 -0.03 0.03 0.00 -0.57 0.00 0.00 43.02 42.39 1fi6 s PHE 30 CO 0.03 -0.07 -0.06 0.42 -0.10 0.00 0.00 175.22 175.44 1fi6 s ILE 31 N 0.38 2.79 0.67 0.64 1.01 0.22 -4.85 121.20 122.06 1fi6 s ILE 31 Ca -0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.29 1fi6 s ILE 31 Cb -0.04 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1fi6 s ILE 31 CO -0.01 0.13 1.27 -2.16 0.00 0.00 0.00 174.94 174.16 1fi6 s PRO 32 N 1.29 2.41 0.39 2.79 0.04 -1.26 0.95 135.00 141.60 1fi6 s PRO 32 Ca -0.02 1.98 0.22 0.00 0.04 0.00 0.00 61.00 63.22 1fi6 s PRO 32 Cb -0.17 -1.84 1.23 0.00 0.04 0.00 0.00 34.50 33.76 1fi6 s PRO 32 CO -0.04 -1.69 1.67 0.78 0.04 0.00 0.00 177.00 177.76 1fi6 h GLY 33 N 0.29 1.56 0.97 0.56 0.00 -1.77 0.76 103.07 105.43 1fi6 h GLY 33 Ca -0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1fi6 h GLY 33 CO 0.52 -0.38 0.19 0.23 0.00 0.00 0.00 176.54 177.11 1fi6 h SER 34 N 0.24 0.42 -0.37 0.19 0.87 -1.88 0.47 113.55 113.48 1fi6 h SER 34 Ca 0.74 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 61.17 1fi6 h SER 34 Cb 2.00 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.84 1fi6 h SER 34 CO -0.46 0.37 0.03 0.00 -0.53 0.00 0.00 176.83 176.23 1fi6 h ALA 35 N 1.07 0.49 0.21 6.23 0.00 0.11 0.31 119.26 127.67 1fi6 h ALA 35 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1fi6 h ALA 35 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fi6 h ALA 35 CO -0.02 0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.36 1fi6 h ALA 36 N 0.88 -0.28 -0.38 0.00 0.00 -0.73 0.33 119.26 119.08 1fi6 h ALA 36 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fi6 h ALA 36 Cb 0.42 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1fi6 h ALA 36 CO 0.01 -0.55 0.21 0.87 0.00 0.00 0.00 179.25 179.79 1fi6 h LYS 37 N -0.50 0.42 0.40 0.00 6.56 -0.06 0.24 116.57 123.63 1fi6 h LYS 37 Ca -0.03 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 1fi6 h LYS 37 Cb 0.38 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1fi6 h LYS 37 CO 0.05 0.28 -0.19 0.93 -2.06 0.00 0.00 179.45 178.45 1fi6 h GLU 38 N 0.43 -0.52 0.07 3.15 5.08 -0.31 -0.19 114.58 122.29 1fi6 h GLU 38 Ca 0.16 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1fi6 h GLU 38 Cb 0.03 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1fi6 h GLU 38 CO -0.09 -0.32 -0.31 0.35 -1.00 0.00 0.00 179.01 177.64 1fi6 h PHE 39 N -0.58 -0.85 -0.45 4.33 3.04 -0.13 -0.41 116.94 121.89 1fi6 h PHE 39 Ca -0.06 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.05 1fi6 h PHE 39 Cb 0.44 0.36 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 1fi6 h PHE 39 CO -0.04 -0.41 0.38 0.74 -2.02 0.00 0.00 178.31 176.96 1fi6 h PHE 40 N -0.51 0.00 -1.04 0.41 -1.00 -0.45 -2.10 116.94 112.25 1fi6 h PHE 40 Ca 0.04 0.00 0.38 0.00 2.81 0.00 0.00 57.97 61.20 1fi6 h PHE 40 Cb 0.56 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.96 1fi6 h PHE 40 CO -0.30 0.00 0.59 1.15 -1.61 0.00 0.00 178.31 178.14 1fi6 h THR 41 N 0.00 0.14 -1.11 -1.55 2.02 0.76 0.82 112.91 114.00 1fi6 h THR 41 Ca 0.21 -0.05 0.33 0.00 0.77 0.00 0.00 66.41 67.67 1fi6 h THR 41 Cb 0.97 -0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 67.24 1fi6 h THR 41 CO -0.00 0.03 0.69 0.11 0.37 0.00 0.00 175.52 176.72 1fi6 h LYS 42 N 0.15 0.29 -0.12 6.66 1.79 -1.51 0.35 116.57 124.18 1fi6 h LYS 42 Ca 0.80 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 59.29 1fi6 h LYS 42 Cb 2.04 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1fi6 h LYS 42 CO -0.66 0.19 0.63 0.77 -1.08 0.00 0.00 179.45 179.30 1fi6 h SER 43 N 0.30 0.00 -0.04 0.86 0.02 0.44 -3.43 113.55 111.70 1fi6 h SER 43 Ca 0.69 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.63 1fi6 h SER 43 Cb 1.83 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1fi6 h SER 43 CO -0.42 0.00 -0.02 1.17 -1.14 0.00 0.00 176.83 176.43 1fi6 n LYS 44 N -2.88 -1.05 -2.41 3.45 3.00 0.11 -4.98 118.16 113.41 1fi6 n LYS 44 Ca 0.02 0.32 -0.27 0.00 -0.00 0.00 0.00 58.31 58.37 1fi6 n LYS 44 Cb 0.69 -4.14 0.02 0.00 0.00 0.00 0.00 35.03 31.60 1fi6 n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1fi6 s LEU 45 N -0.21 3.35 0.10 3.14 1.02 -1.26 -5.05 118.68 119.76 1fi6 s LEU 45 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 54.13 54.71 1fi6 s LEU 45 Cb 0.00 -3.75 -0.06 0.00 0.02 0.00 0.00 46.19 42.40 1fi6 s LEU 45 CO 0.00 -0.90 1.19 -2.16 0.02 0.00 0.00 176.35 174.50 1fi6 s PRO 46 N -4.94 4.46 0.48 1.29 0.04 -1.26 -4.91 135.00 130.15 1fi6 s PRO 46 Ca 0.52 1.79 0.32 0.00 0.04 0.00 0.00 61.00 63.67 1fi6 s PRO 46 Cb -0.11 -3.31 1.43 0.00 0.04 0.00 0.00 34.50 32.55 1fi6 s PRO 46 CO 0.46 -0.18 1.71 0.97 0.04 0.00 0.00 177.00 180.00 1fi6 h ILE 47 N 4.25 0.29 0.00 0.56 2.10 -1.98 -2.67 117.51 120.06 1fi6 h ILE 47 Ca -0.43 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1fi6 h ILE 47 Cb 1.21 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1fi6 h ILE 47 CO 0.79 0.02 0.00 -0.11 -1.08 0.00 0.00 178.15 177.77 1fi6 n LEU 48 N -4.42 0.00 -0.31 2.19 7.94 -1.26 -1.61 117.00 119.53 1fi6 n LEU 48 Ca 0.32 0.41 0.13 0.00 -1.11 0.00 0.00 56.01 55.76 1fi6 n LEU 48 Cb 1.32 0.00 0.36 0.00 0.53 0.00 0.00 43.42 45.63 1fi6 n LEU 48 CO 0.31 0.00 1.21 -0.33 -1.11 0.00 0.00 177.39 177.48 1fi6 h GLU 49 N 0.00 0.69 -1.10 1.96 5.08 -1.96 0.17 114.58 119.42 1fi6 h GLU 49 Ca 0.00 -0.04 0.36 0.00 -1.00 0.00 0.00 59.36 58.68 1fi6 h GLU 49 Cb 0.00 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 28.95 1fi6 h GLU 49 CO 0.00 0.46 0.66 -0.07 -1.00 0.00 0.00 179.01 179.06 1fi6 h LEU 50 N 0.71 0.40 0.11 1.33 3.38 -1.13 0.32 115.31 120.44 1fi6 h LEU 50 Ca 0.51 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.65 1fi6 h LEU 50 Cb 0.85 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1fi6 h LEU 50 CO -0.28 -0.17 -0.05 -1.28 0.09 0.00 0.00 178.44 176.75 1fi6 h SER 51 N 0.21 -0.12 -1.02 -0.43 0.87 0.33 -3.16 113.55 110.22 1fi6 h SER 51 Ca 0.76 -0.44 0.34 0.00 -1.23 0.00 0.00 61.79 61.22 1fi6 h SER 51 Cb 2.01 0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 63.85 1fi6 h SER 51 CO -0.54 0.45 0.59 -0.74 -0.53 0.00 0.00 176.83 176.06 1fi6 h HIS 52 N -0.78 0.89 -0.92 2.24 -0.00 -0.35 1.41 115.15 117.63 1fi6 h HIS 52 Ca -0.02 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.47 1fi6 h HIS 52 Cb 0.56 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 1fi6 h HIS 52 CO 0.11 -0.21 0.60 0.82 -0.00 0.00 0.00 177.93 179.24 1fi6 h ILE 53 N 0.28 1.02 0.48 6.26 1.08 -0.83 -2.70 117.51 123.08 1fi6 h ILE 53 Ca 0.75 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.86 1fi6 h ILE 53 Cb 1.79 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1fi6 h ILE 53 CO -0.61 0.18 -0.23 -0.25 -0.69 0.00 0.00 178.15 176.56 1fi6 h TRP 54 N 0.99 -0.59 -0.88 1.37 2.91 0.19 0.27 115.95 120.21 1fi6 h TRP 54 Ca 0.42 -0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.60 1fi6 h TRP 54 Cb 0.31 0.20 -0.17 0.00 -0.51 0.00 0.00 29.16 28.99 1fi6 h TRP 54 CO -0.00 -0.31 -0.21 0.93 -1.03 0.00 0.00 178.44 177.83 1fi6 h GLU 55 N -0.78 0.00 0.21 2.65 3.07 -1.31 1.69 114.58 120.12 1fi6 h GLU 55 Ca -0.07 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1fi6 h GLU 55 Cb 0.56 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1fi6 h GLU 55 CO 0.11 0.00 -0.10 -0.07 -1.40 0.00 0.00 179.01 177.55 1fi6 h LEU 56 N 0.00 -0.24 -1.50 1.33 -0.00 -1.34 -3.23 115.31 110.33 1fi6 h LEU 56 Ca 0.43 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1fi6 h LEU 56 Cb 0.66 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1fi6 h LEU 56 CO -0.90 0.16 -0.06 0.28 -0.00 0.00 0.00 178.44 177.91 1fi6 h SER 57 N -0.69 0.00 -1.96 -0.43 0.02 0.67 -3.26 113.55 107.90 1fi6 h SER 57 Ca -0.03 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.16 1fi6 h SER 57 Cb 0.48 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.77 1fi6 h SER 57 CO 0.05 0.06 1.08 -0.67 -1.14 0.00 0.00 176.83 176.21 1fi6 n ASP 58 N -3.21 7.42 0.19 3.07 2.03 0.57 -4.64 116.55 121.97 1fi6 n ASP 58 Ca 0.00 -3.69 0.03 0.00 0.52 0.00 0.00 54.79 51.65 1fi6 n ASP 58 Cb 0.32 -1.14 0.18 0.00 -0.72 0.00 0.00 41.12 39.76 1fi6 n ASP 58 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1fi6 h PHE 59 N 3.51 0.00 0.02 -0.67 0.04 -1.70 0.13 116.94 118.27 1fi6 h PHE 59 Ca 0.55 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.94 1fi6 h PHE 59 Cb 0.20 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.29 1fi6 h PHE 59 CO 1.29 0.00 -2.36 -0.40 -0.60 0.00 0.00 178.31 176.23 1fi6 n ASP 60 N -2.00 1.48 -1.54 2.17 5.68 -1.26 -5.01 116.55 116.06 1fi6 n ASP 60 Ca -0.00 -0.04 -0.06 0.00 -0.50 0.00 0.00 54.79 54.18 1fi6 n ASP 60 Cb 0.60 -0.12 0.03 0.00 -1.14 0.00 0.00 41.12 40.49 1fi6 n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fi6 n LYS 61 N -3.16 -2.26 0.00 0.11 4.76 0.46 -4.94 118.16 113.13 1fi6 n LYS 61 Ca -0.40 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.40 1fi6 n LYS 61 Cb 1.04 -3.52 0.01 0.00 -1.84 0.00 0.00 35.03 30.73 1fi6 n LYS 61 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1fi6 n ASP 62 N -0.51 1.50 -0.01 4.39 5.75 -1.26 -4.94 116.55 121.47 1fi6 n ASP 62 Ca -0.03 -1.21 -0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1fi6 n ASP 62 Cb 0.53 0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 41.22 1fi6 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fi6 n GLY 63 N 1.44 0.47 2.89 6.12 0.00 -1.26 -5.01 105.19 109.85 1fi6 n GLY 63 Ca 0.08 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1fi6 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fi6 s ALA 64 N -1.96 0.37 -0.30 4.61 0.00 -1.26 -1.92 121.76 121.29 1fi6 s ALA 64 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1fi6 s ALA 64 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1fi6 s ALA 64 CO 0.00 0.02 0.25 -0.51 0.00 0.00 0.00 175.76 175.52 1fi6 s LEU 65 N 0.42 4.23 0.37 0.00 1.02 0.27 -4.79 118.68 120.19 1fi6 s LEU 65 Ca -0.04 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 53.81 1fi6 s LEU 65 Cb -0.07 -2.19 -0.10 0.00 0.02 0.00 0.00 46.19 43.85 1fi6 s LEU 65 CO -0.01 -0.16 0.81 0.42 0.02 0.00 0.00 176.35 177.44 1fi6 s THR 66 N 1.82 4.58 0.35 5.49 -4.23 -1.26 0.72 115.64 123.11 1fi6 s THR 66 Ca 0.08 1.13 0.14 0.00 -1.18 0.00 0.00 61.69 61.86 1fi6 s THR 66 Cb -0.16 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.42 1fi6 s THR 66 CO 0.11 -0.25 1.60 0.25 -0.54 0.00 0.00 174.62 175.78 1fi6 h LEU 67 N 2.08 0.15 0.45 4.79 6.46 -1.75 0.55 115.31 128.04 1fi6 h LEU 67 Ca -0.48 0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1fi6 h LEU 67 Cb 1.18 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.40 1fi6 h LEU 67 CO 0.64 -0.35 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.08 1fi6 h ASP 68 N 0.07 -0.60 -0.96 1.25 1.82 -1.90 0.57 116.42 116.67 1fi6 h ASP 68 Ca 0.75 0.03 0.15 0.00 -0.39 0.00 0.00 57.03 57.57 1fi6 h ASP 68 Cb 1.84 0.17 -0.09 0.00 0.68 0.00 0.00 39.33 41.93 1fi6 h ASP 68 CO -0.77 -0.40 0.58 -0.33 -1.61 0.00 0.00 179.24 176.70 1fi6 h GLU 69 N -0.65 0.81 0.54 0.28 5.08 -0.38 -0.12 114.58 120.14 1fi6 h GLU 69 Ca -0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1fi6 h GLU 69 Cb 0.52 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1fi6 h GLU 69 CO 0.08 0.54 -0.28 0.35 -1.00 0.00 0.00 179.01 178.69 1fi6 h PHE 70 N 0.84 -0.74 -0.34 4.33 3.57 0.62 0.54 116.94 125.77 1fi6 h PHE 70 Ca 0.51 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.04 1fi6 h PHE 70 Cb 0.64 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1fi6 h PHE 70 CO -0.02 -0.45 0.10 0.00 -2.23 0.00 0.00 178.31 175.71 1fi6 h ALA 72 N 1.23 0.70 0.41 0.00 0.00 -0.93 -2.88 119.26 117.79 1fi6 h ALA 72 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1fi6 h ALA 72 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1fi6 h ALA 72 CO -0.18 0.28 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 1fi6 h ALA 73 N 1.09 -0.55 -0.33 0.00 0.00 0.80 -2.09 119.26 118.18 1fi6 h ALA 73 Ca 0.19 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1fi6 h ALA 73 Cb 0.13 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1fi6 h ALA 73 CO -0.02 -0.75 -0.22 0.35 0.00 0.00 0.00 179.25 178.60 1fi6 h PHE 74 N -0.67 -0.58 0.37 0.00 3.04 -0.56 0.10 116.94 118.65 1fi6 h PHE 74 Ca -0.06 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1fi6 h PHE 74 Cb 0.49 0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1fi6 h PHE 74 CO -0.02 -0.30 -0.28 1.25 -2.02 0.00 0.00 178.31 176.94 1fi6 h HIS 75 N -0.18 -0.73 -0.41 0.41 2.76 -1.53 -1.95 115.15 113.52 1fi6 h HIS 75 Ca 0.17 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1fi6 h HIS 75 Cb 0.44 0.27 -0.09 0.00 1.55 0.00 0.00 27.41 29.58 1fi6 h HIS 75 CO -0.42 -0.41 -0.26 1.25 -1.30 0.00 0.00 177.93 176.79 1fi6 h LEU 76 N -0.64 -0.87 -0.80 0.26 6.46 -0.93 0.10 115.31 118.90 1fi6 h LEU 76 Ca -0.03 0.17 0.17 0.00 -0.12 0.00 0.00 57.88 58.07 1fi6 h LEU 76 Cb 0.55 0.44 -0.10 0.00 -0.73 0.00 0.00 40.66 40.81 1fi6 h LEU 76 CO -0.00 -0.28 0.33 0.58 -0.62 0.00 0.00 178.44 178.45 1fi6 h VAL 77 N -0.18 0.60 -0.87 1.05 2.07 -0.56 -0.91 116.25 117.44 1fi6 h VAL 77 Ca 0.19 -0.15 0.22 0.00 0.82 0.00 0.00 66.70 67.78 1fi6 h VAL 77 Cb 0.49 0.13 -0.16 0.00 -1.52 0.00 0.00 31.29 30.23 1fi6 h VAL 77 CO -0.52 0.08 0.01 0.58 0.02 0.00 0.00 177.57 177.74 1fi6 h VAL 78 N 0.44 0.19 -0.30 2.57 2.07 -0.18 0.24 116.25 121.27 1fi6 h VAL 78 Ca 0.46 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 68.02 1fi6 h VAL 78 Cb 0.76 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1fi6 h VAL 78 CO -0.45 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.06 1fi6 h ALA 79 N 1.84 0.18 0.00 1.67 0.00 -1.12 -1.70 119.26 120.13 1fi6 h ALA 79 Ca 0.50 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.43 1fi6 h ALA 79 Cb 0.95 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1fi6 h ALA 79 CO -0.79 -0.48 -0.47 -0.09 0.00 0.00 0.00 179.25 177.42 1fi6 h ARG 80 N -0.03 0.00 -0.78 0.00 1.12 -0.91 -3.25 114.38 110.53 1fi6 h ARG 80 Ca 0.15 0.00 0.29 0.00 -1.11 0.00 0.00 59.98 59.31 1fi6 h ARG 80 Cb 0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 30.07 1fi6 h ARG 80 CO -0.33 0.47 0.29 1.17 -3.11 0.00 0.00 179.97 178.46 1fi6 n LYS 81 N -3.71 -0.05 -0.09 0.20 0.00 0.60 -0.14 118.16 114.97 1fi6 n LYS 81 Ca -0.01 1.10 -0.17 0.00 0.00 0.00 0.00 58.31 59.24 1fi6 n LYS 81 Cb 0.53 -1.90 -0.10 0.00 0.00 0.00 0.00 35.03 33.56 1fi6 n LYS 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1fi6 h ASN 82 N 0.00 0.00 0.00 3.14 4.21 -1.69 -3.51 115.58 117.74 1fi6 h ASN 82 Ca 0.60 -0.59 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1fi6 h ASN 82 Cb 1.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 1fi6 h ASN 82 CO -0.64 1.21 0.00 0.61 -1.29 0.00 0.00 177.43 177.32 1fi6 n GLY 83 N 1.53 3.34 3.72 2.83 0.00 0.80 -5.19 105.19 112.21 1fi6 n GLY 83 Ca -0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1fi6 n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fi6 s TYR 84 N 0.00 0.07 0.42 1.61 1.51 -1.26 -4.94 117.35 114.75 1fi6 s TYR 84 Ca 0.00 -0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 55.33 1fi6 s TYR 84 Cb 0.00 0.46 -0.10 0.00 -0.11 0.00 0.00 41.96 42.21 1fi6 s TYR 84 CO 0.00 -1.11 1.22 -3.47 -1.11 0.00 0.00 175.55 171.08 1fi6 n ASP 85 N -0.42 2.31 -4.53 2.29 -0.08 -1.26 -4.97 116.55 109.89 1fi6 n ASP 85 Ca -0.03 1.10 -0.38 0.00 -1.51 0.00 0.00 54.79 53.96 1fi6 n ASP 85 Cb 0.60 -1.47 -0.11 0.00 2.34 0.00 0.00 41.12 42.48 1fi6 n ASP 85 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fi6 s LEU 86 N -1.46 4.06 0.59 -2.67 1.43 -1.26 -5.07 118.68 114.30 1fi6 s LEU 86 Ca 0.61 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1fi6 s LEU 86 Cb -0.52 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 1fi6 s LEU 86 CO 0.58 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.90 1fi6 s PRO 87 N 1.70 3.68 -0.33 1.29 0.04 -1.26 -5.08 135.00 135.04 1fi6 s PRO 87 Ca 0.06 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1fi6 s PRO 87 Cb -0.16 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.42 1fi6 s PRO 87 CO 0.09 -0.50 0.27 -2.00 0.04 0.00 0.00 177.00 174.90 1fi6 s GLU 88 N -4.77 0.45 -0.19 4.56 2.12 -1.26 -4.97 118.70 114.64 1fi6 s GLU 88 Ca 0.57 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 55.23 1fi6 s GLU 88 Cb -0.11 -0.92 -0.16 0.00 0.26 0.00 0.00 34.13 33.20 1fi6 s GLU 88 CO 0.46 -1.12 -0.09 1.63 -0.54 0.00 0.00 175.26 175.59 1fi6 n LYS 89 N 4.65 0.84 -1.97 4.30 5.02 -1.26 -4.98 118.16 124.76 1fi6 n LYS 89 Ca 0.05 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 1fi6 n LYS 89 Cb 0.43 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1fi6 n LYS 89 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1fi6 s LEU 90 N -5.82 4.21 -0.24 -0.35 2.96 -1.26 -4.81 118.68 113.37 1fi6 s LEU 90 Ca -0.20 2.76 -0.19 0.00 -0.22 0.00 0.00 54.13 56.27 1fi6 s LEU 90 Cb 0.06 -3.87 -0.21 0.00 0.50 0.00 0.00 46.19 42.67 1fi6 s LEU 90 CO 0.54 -0.91 1.56 -0.81 -1.32 0.00 0.00 176.35 175.41 1fi6 n PRO 91 N 0.12 0.49 0.29 0.98 -0.04 -1.26 -4.63 135.00 130.95 1fi6 n PRO 91 Ca 0.04 -1.09 0.12 0.00 -0.04 0.00 0.00 63.50 62.53 1fi6 n PRO 91 Cb 0.43 -2.46 0.59 0.00 -0.04 0.00 0.00 33.50 32.02 1fi6 n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1fi6 h GLU 92 N 8.76 0.00 0.00 0.54 4.39 -1.87 1.26 114.58 127.66 1fi6 h GLU 92 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1fi6 h GLU 92 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1fi6 h GLU 92 CO 1.72 0.00 -0.96 0.43 -1.16 0.00 0.00 179.01 179.04 1fi6 n SER 93 N -2.87 0.71 -0.11 1.42 7.64 -1.26 -4.39 113.62 114.76 1fi6 n SER 93 Ca 0.00 -0.53 -0.19 0.00 1.01 0.00 0.00 58.87 59.16 1fi6 n SER 93 Cb 0.60 0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 64.55 1fi6 n SER 93 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fi6 n LEU 94 N -1.69 2.25 -4.75 -3.43 4.77 0.38 -4.97 117.00 109.57 1fi6 n LEU 94 Ca 0.03 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 1fi6 n LEU 94 Cb 0.38 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1fi6 n LEU 94 CO 0.41 0.65 0.42 -0.04 -1.33 0.00 0.00 177.39 177.49 1fi6 s MET 95 N -2.41 4.45 1.28 3.23 -1.94 0.17 -5.07 119.30 119.00 1fi6 s MET 95 Ca -0.30 0.97 -0.21 0.00 -1.71 0.00 0.00 55.69 54.44 1fi6 s MET 95 Cb 0.10 -3.36 0.32 0.00 2.01 0.00 0.00 34.83 33.89 1fi6 s MET 95 CO 0.43 0.29 1.07 -1.25 -0.01 0.00 0.00 175.02 175.55 1fi6 s PRO 96 N -0.04 -1.82 0.00 2.03 0.04 -1.26 -4.67 135.00 129.28 1fi6 s PRO 96 Ca 0.36 -0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.57 1fi6 s PRO 96 Cb -0.20 -1.53 0.26 0.00 0.04 0.00 0.00 34.50 33.07 1fi6 s PRO 96 CO 0.21 -4.10 1.30 1.63 0.04 0.00 0.00 177.00 176.08