#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fm7 n GLN 9 N 0.00 0.00 -3.90 4.33 10.64 -1.26 -4.91 117.38 122.29 3fm7 n GLN 9 Ca 0.00 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.86 3fm7 n GLN 9 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 3fm7 n GLN 9 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3fm7 s PHE 10 N -0.33 3.30 -0.13 2.61 5.36 -1.26 -5.06 117.98 122.46 3fm7 s PHE 10 Ca 0.00 -3.13 -0.29 0.00 -0.96 0.00 0.00 56.93 52.55 3fm7 s PHE 10 Cb 0.00 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 3fm7 s PHE 10 CO 0.00 -0.73 1.55 0.42 -1.46 0.00 0.00 175.22 175.00 3fm7 s ILE 11 N -0.47 3.78 0.25 3.12 1.01 -1.26 -4.90 121.20 122.72 3fm7 s ILE 11 Ca 0.19 0.92 0.09 0.00 0.00 0.00 0.00 60.65 61.85 3fm7 s ILE 11 Cb -0.21 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3fm7 s ILE 11 CO -0.03 -0.16 1.56 0.58 0.00 0.00 0.00 174.94 176.89 3fm7 h VAL 12 N 5.74 1.47 -0.18 2.92 2.07 -1.97 -2.91 116.25 123.39 3fm7 h VAL 12 Ca -0.34 -2.27 -0.15 0.00 0.82 0.00 0.00 66.70 64.76 3fm7 h VAL 12 Cb 1.15 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3fm7 h VAL 12 CO 0.97 0.65 -0.46 0.44 0.02 0.00 0.00 177.57 179.20 3fm7 h ASP 13 N 0.02 0.72 0.00 0.57 5.19 -1.99 -2.64 116.42 118.29 3fm7 h ASP 13 Ca -0.01 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 3fm7 h ASP 13 Cb 1.19 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3fm7 h ASP 13 CO 0.09 1.16 0.00 0.47 -3.12 0.00 0.00 179.24 177.84 3fm7 n ASP 14 N -4.20 0.55 -0.00 6.45 9.92 -1.11 -1.05 116.55 127.12 3fm7 n ASP 14 Ca -0.06 -1.36 -0.00 0.00 -0.53 0.00 0.00 54.79 52.83 3fm7 n ASP 14 Cb 0.57 -0.28 -0.00 0.00 -0.64 0.00 0.00 41.12 40.77 3fm7 n ASP 14 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3fm7 n VAL 15 N 0.03 0.00 0.01 2.53 0.31 -1.17 -4.57 118.33 115.48 3fm7 n VAL 15 Ca 0.00 -0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3fm7 n VAL 15 Cb 0.14 -0.72 0.08 0.00 -0.91 0.00 0.00 33.84 32.43 3fm7 n VAL 15 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3fm7 h SER 16 N -0.00 0.57 0.52 4.52 4.64 -1.00 1.42 113.55 124.22 3fm7 h SER 16 Ca -0.00 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 3fm7 h SER 16 Cb 1.00 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3fm7 h SER 16 CO -0.00 0.97 -0.27 0.50 -0.87 0.00 0.00 176.83 177.16 3fm7 h LYS 17 N 0.42 0.00 0.11 4.77 1.63 -1.37 -1.14 116.57 120.99 3fm7 h LYS 17 Ca 0.02 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.51 3fm7 h LYS 17 Cb 1.01 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 3fm7 h LYS 17 CO 0.09 0.27 -1.58 1.15 -3.45 0.00 0.00 179.45 175.94 3fm7 h THR 18 N 0.00 1.09 0.50 1.00 2.02 -1.31 -3.22 112.91 113.00 3fm7 h THR 18 Ca -0.00 -2.75 -0.02 0.00 0.77 0.00 0.00 66.41 64.40 3fm7 h THR 18 Cb 0.61 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3fm7 h THR 18 CO 0.04 0.80 -0.24 0.40 0.37 0.00 0.00 175.52 176.89 3fm7 h ILE 19 N 0.06 0.51 -0.63 3.11 2.04 0.19 -3.17 117.51 119.61 3fm7 h ILE 19 Ca -0.26 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.66 3fm7 h ILE 19 Cb 2.02 0.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.51 3fm7 h ILE 19 CO 0.15 0.00 -0.48 0.11 0.00 0.00 0.00 178.15 177.93 3fm7 h LYS 20 N -0.69 -0.21 -0.66 2.37 1.57 -1.29 0.32 116.57 117.97 3fm7 h LYS 20 Ca -0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3fm7 h LYS 20 Cb 0.52 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.76 3fm7 h LYS 20 CO 0.11 -0.14 -0.14 0.93 -0.57 0.00 0.00 179.45 179.65 3fm7 h GLU 21 N -0.22 0.02 0.19 3.15 5.08 -1.65 0.13 114.58 121.28 3fm7 h GLU 21 Ca 0.16 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3fm7 h GLU 21 Cb 0.55 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3fm7 h GLU 21 CO -0.73 0.01 -0.46 0.00 -1.00 0.00 0.00 179.01 176.83 3fm7 h ALA 22 N 1.65 -0.99 -0.42 3.43 0.00 -0.41 0.23 119.26 122.76 3fm7 h ALA 22 Ca 0.32 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3fm7 h ALA 22 Cb 0.51 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3fm7 h ALA 22 CO -0.66 -1.08 -0.37 0.82 0.00 0.00 0.00 179.25 177.95 3fm7 h ILE 23 N -0.72 0.17 0.00 0.00 1.08 -0.31 -1.25 117.51 116.48 3fm7 h ILE 23 Ca -0.02 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 3fm7 h ILE 23 Cb 0.69 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3fm7 h ILE 23 CO -0.21 0.00 -0.27 -0.08 -0.69 0.00 0.00 178.15 176.91 3fm7 h GLU 24 N -0.28 0.00 0.33 2.37 4.57 -0.76 -1.41 114.58 119.41 3fm7 h GLU 24 Ca 0.16 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3fm7 h GLU 24 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3fm7 h GLU 24 CO -0.57 0.27 -0.16 1.15 -1.18 0.00 0.00 179.01 178.52 3fm7 h THR 25 N 0.00 0.66 0.04 0.32 2.02 0.42 -2.66 112.91 113.71 3fm7 h THR 25 Ca -0.00 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 3fm7 h THR 25 Cb 0.64 0.92 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3fm7 h THR 25 CO 0.03 0.10 -0.28 0.74 0.37 0.00 0.00 175.52 176.49 3fm7 h THR 26 N -0.75 1.66 -0.07 3.16 2.02 -0.92 -3.37 112.91 114.65 3fm7 h THR 26 Ca -0.05 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3fm7 h THR 26 Cb 0.50 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3fm7 h THR 26 CO 0.07 0.62 0.00 2.30 0.37 0.00 0.00 175.52 178.88 3fm7 n ILE 27 N -4.46 0.99 -2.53 3.11 -5.35 -0.56 -4.93 119.36 105.64 3fm7 n ILE 27 Ca -0.11 -1.00 -0.43 0.00 -0.27 0.00 0.00 62.75 60.95 3fm7 n ILE 27 Cb 0.58 0.50 -0.02 0.00 -1.74 0.00 0.00 39.64 38.96 3fm7 n ILE 27 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fm7 s GLY 28 N -1.00 1.15 0.00 3.28 0.00 -1.00 -3.85 107.32 105.90 3fm7 s GLY 28 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3fm7 s GLY 28 CO 0.03 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.30 3fm7 n GLY 29 N 5.02 1.92 3.50 0.20 0.00 -1.26 -4.87 105.19 109.69 3fm7 n GLY 29 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3fm7 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fm7 s ASN 30 N -2.00 -0.61 0.80 1.61 2.20 -1.25 -5.18 114.94 110.50 3fm7 s ASN 30 Ca 0.00 0.86 -0.04 0.00 -0.94 0.00 0.00 52.86 52.73 3fm7 s ASN 30 Cb 0.00 0.79 0.16 0.00 -2.00 0.00 0.00 41.25 40.20 3fm7 s ASN 30 CO 0.00 -0.46 1.03 0.00 -2.94 0.00 0.00 177.10 174.74 3fm7 n ALA 31 N 1.60 -0.26 -1.77 3.54 0.00 -1.26 -4.99 120.51 117.36 3fm7 n ALA 31 Ca -0.17 -1.79 -0.40 0.00 0.00 0.00 0.00 53.44 51.08 3fm7 n ALA 31 Cb 0.56 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.19 3fm7 n ALA 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3fm7 s TYR 32 N -3.14 3.12 -0.29 0.00 5.04 -1.26 -5.03 117.35 115.79 3fm7 s TYR 32 Ca 0.65 1.52 -0.14 0.00 -2.44 0.00 0.00 57.07 56.66 3fm7 s TYR 32 Cb -0.03 -3.50 0.11 0.00 0.35 0.00 0.00 41.96 38.89 3fm7 s TYR 32 CO 0.44 -1.44 0.72 1.14 -1.34 0.00 0.00 175.55 175.07 3fm7 s GLN 33 N -1.97 0.59 0.22 4.97 -2.07 -1.26 -5.07 119.66 115.08 3fm7 s GLN 33 Ca 0.52 1.23 -0.08 0.00 -1.82 0.00 0.00 55.36 55.21 3fm7 s GLN 33 Cb -0.35 0.45 0.19 0.00 -1.09 0.00 0.00 33.01 32.21 3fm7 s GLN 33 CO 0.45 -0.16 1.84 1.25 -1.32 0.00 0.00 175.29 177.35 3fm7 h HIS 34 N 7.35 1.17 0.00 9.60 -0.00 -2.01 -2.08 115.15 129.18 3fm7 h HIS 34 Ca -0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3fm7 h HIS 34 Cb 1.17 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3fm7 h HIS 34 CO 0.11 0.82 0.00 -0.40 -0.00 0.00 0.00 177.93 178.46 3fm7 n ASP 35 N -4.37 0.00 0.00 3.26 3.85 -1.26 -3.03 116.55 115.00 3fm7 n ASP 35 Ca 0.09 -0.56 0.00 0.00 -0.71 0.00 0.00 54.79 53.61 3fm7 n ASP 35 Cb 0.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 3fm7 n ASP 35 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3fm7 n LYS 36 N -0.76 0.30 -0.15 0.11 4.76 -0.84 -4.92 118.16 116.66 3fm7 n LYS 36 Ca 0.05 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 3fm7 n LYS 36 Cb 0.02 -0.63 -0.05 0.00 -1.84 0.00 0.00 35.03 32.52 3fm7 n LYS 36 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3fm7 h VAL 37 N 0.00 0.08 -0.04 -0.18 2.07 -1.32 -1.24 116.25 115.63 3fm7 h VAL 37 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3fm7 h VAL 37 Cb 0.27 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3fm7 h VAL 37 CO 0.00 0.00 -0.07 0.78 0.02 0.00 0.00 177.57 178.30 3fm7 h ASN 38 N -0.31 0.05 1.04 0.57 2.35 -1.89 1.00 115.58 118.39 3fm7 h ASN 38 Ca 0.14 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3fm7 h ASN 38 Cb 0.58 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3fm7 h ASN 38 CO -0.61 0.12 -0.18 0.78 -1.65 0.00 0.00 177.43 175.89 3fm7 h ASN 39 N 0.05 0.00 0.38 5.81 4.21 -1.61 -1.64 115.58 122.79 3fm7 h ASN 39 Ca 0.01 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 3fm7 h ASN 39 Cb 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3fm7 h ASN 39 CO 0.01 0.18 -0.18 -0.50 -1.29 0.00 0.00 177.43 175.65 3fm7 h TRP 40 N 0.00 -0.47 -0.84 1.19 6.55 0.17 -2.11 115.95 120.43 3fm7 h TRP 40 Ca -0.00 -0.01 0.21 0.00 0.95 0.00 0.00 58.89 60.04 3fm7 h TRP 40 Cb 0.76 0.16 -0.13 0.00 -0.86 0.00 0.00 29.16 29.08 3fm7 h TRP 40 CO 0.00 -0.30 0.25 1.79 -1.05 0.00 0.00 178.44 179.14 3fm7 h THR 41 N -0.96 0.41 -0.66 1.49 1.35 -1.42 0.19 112.91 113.29 3fm7 h THR 41 Ca -0.05 -0.09 0.12 0.00 -0.55 0.00 0.00 66.41 65.84 3fm7 h THR 41 Cb 0.39 0.11 -0.09 0.00 -1.73 0.00 0.00 68.15 66.84 3fm7 h THR 41 CO 0.09 0.05 0.20 1.23 -0.25 0.00 0.00 175.52 176.84 3fm7 h GLY 42 N 0.27 0.92 0.51 5.82 0.00 -1.32 -2.58 103.07 106.69 3fm7 h GLY 42 Ca 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3fm7 h GLY 42 CO -0.59 -0.10 -0.24 1.46 0.00 0.00 0.00 176.54 177.06 3fm7 h GLN 43 N 0.34 -0.66 -0.77 4.80 4.20 -0.17 -2.61 115.11 120.24 3fm7 h GLN 43 Ca 0.36 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.31 3fm7 h GLN 43 Cb 0.53 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.31 3fm7 h GLN 43 CO -0.40 -0.44 -0.04 0.28 -0.67 0.00 0.00 178.83 177.56 3fm7 n VAL 44 N -4.97 -0.32 -0.07 -0.54 0.31 0.41 -0.26 118.33 112.88 3fm7 n VAL 44 Ca -0.08 1.72 -0.14 0.00 -0.01 0.00 0.00 64.34 65.82 3fm7 n VAL 44 Cb 0.27 -2.47 -0.12 0.00 -0.91 0.00 0.00 33.84 30.61 3fm7 n VAL 44 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3fm7 h VAL 45 N 0.00 1.57 0.00 2.52 -1.51 -1.55 -2.91 116.25 114.37 3fm7 h VAL 45 Ca 0.44 -2.24 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 3fm7 h VAL 45 Cb 0.85 3.03 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 3fm7 h VAL 45 CO -0.75 0.53 0.00 -0.62 -1.23 0.00 0.00 177.57 175.51 3fm7 n GLU 46 N -4.60 0.42 -0.06 5.19 4.71 -0.46 -2.22 120.64 123.61 3fm7 n GLU 46 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 56.90 3fm7 n GLU 46 Cb 0.47 -1.11 -0.05 0.00 -1.01 0.00 0.00 31.44 29.75 3fm7 n GLU 46 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3fm7 n ASN 47 N -0.09 1.19 0.10 1.62 5.15 0.64 -4.17 115.26 119.70 3fm7 n ASN 47 Ca 0.00 0.12 -0.13 0.00 -0.60 0.00 0.00 54.58 53.97 3fm7 n ASN 47 Cb 0.05 -0.34 -0.06 0.00 -0.53 0.00 0.00 39.78 38.90 3fm7 n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fm7 h LEU 49 N -0.55 0.58 0.00 0.00 3.38 -1.70 1.68 115.31 118.70 3fm7 h LEU 49 Ca 0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fm7 h LEU 49 Cb 0.59 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3fm7 h LEU 49 CO -0.21 0.05 0.00 0.41 0.09 0.00 0.00 178.44 178.78 3fm7 n THR 50 N -4.84 0.47 -0.03 0.22 -1.04 -1.07 -2.88 114.28 105.12 3fm7 n THR 50 Ca 0.28 0.12 -0.03 0.00 -2.04 0.00 0.00 64.05 62.37 3fm7 n THR 50 Cb 0.84 -0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 3fm7 n THR 50 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3fm7 n VAL 51 N -1.25 0.30 -0.50 12.58 3.14 0.55 -4.15 118.33 129.00 3fm7 n VAL 51 Ca 0.08 -0.12 -0.00 0.00 -2.96 0.00 0.00 64.34 61.34 3fm7 n VAL 51 Cb 0.12 -0.71 0.27 0.00 -1.06 0.00 0.00 33.84 32.46 3fm7 n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3fm7 n LEU 52 N -2.60 4.90 0.00 6.55 -0.00 -0.00 -2.97 117.00 122.88 3fm7 n LEU 52 Ca -0.09 -2.52 0.00 0.00 -0.00 0.00 0.00 56.01 53.40 3fm7 n LEU 52 Cb 0.60 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 3fm7 n LEU 52 CO 0.06 0.62 -0.47 0.41 -0.00 0.00 0.00 177.39 178.01 3fm7 n THR 53 N 0.20 0.00 -0.56 1.47 -1.04 -1.14 -4.29 114.28 108.91 3fm7 n THR 53 Ca 0.27 0.00 0.46 0.00 -2.04 0.00 0.00 64.05 62.74 3fm7 n THR 53 Cb 1.07 -0.54 0.79 0.00 -1.82 0.00 0.00 70.33 69.84 3fm7 n THR 53 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3fm7 h LYS 54 N 0.00 0.01 0.00 -2.82 3.64 -1.72 -2.04 116.57 113.63 3fm7 h LYS 54 Ca 0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3fm7 h LYS 54 Cb 0.94 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3fm7 h LYS 54 CO 0.00 0.00 -0.37 1.49 -2.27 0.00 0.00 179.45 178.30 3fm7 h GLU 55 N 0.01 0.00 -4.31 1.90 4.81 -1.72 -3.47 114.58 111.80 3fm7 h GLU 55 Ca 0.80 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.79 3fm7 h GLU 55 Cb 3.20 0.00 0.10 0.00 0.63 0.00 0.00 28.75 32.68 3fm7 h GLU 55 CO -0.03 0.37 -0.48 0.94 -0.73 0.00 0.00 179.01 179.09 3fm7 n GLN 56 N -3.84 -4.80 -3.89 1.92 -0.06 -0.77 -5.02 117.38 100.92 3fm7 n GLN 56 Ca -0.01 0.56 -0.26 0.00 -2.00 0.00 0.00 57.00 55.29 3fm7 n GLN 56 Cb 0.44 -4.73 -0.03 0.00 -4.06 0.00 0.00 30.24 21.86 3fm7 n GLN 56 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3fm7 s LYS 57 N -5.35 3.46 -0.36 3.69 1.02 -1.26 -5.00 119.74 115.93 3fm7 s LYS 57 Ca 0.18 -0.56 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 3fm7 s LYS 57 Cb -0.08 -2.93 -0.17 0.00 -0.52 0.00 0.00 37.83 34.13 3fm7 s LYS 57 CO 0.48 0.48 2.83 -0.35 -0.92 0.00 0.00 175.35 177.87 3fm7 n PRO 58 N -0.69 1.95 -4.29 -1.68 -0.04 -1.26 -4.86 135.00 124.12 3fm7 n PRO 58 Ca -0.07 -1.08 -0.24 0.00 -0.04 0.00 0.00 63.50 62.08 3fm7 n PRO 58 Cb 0.54 -2.10 -0.12 0.00 -0.04 0.00 0.00 33.50 31.78 3fm7 n PRO 58 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3fm7 s TYR 59 N 1.82 1.78 0.16 0.54 1.51 -1.26 -3.29 117.35 118.61 3fm7 s TYR 59 Ca 0.53 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3fm7 s TYR 59 Cb 0.22 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3fm7 s TYR 59 CO -0.01 0.21 0.32 0.15 -1.11 0.00 0.00 175.55 175.11 3fm7 s LYS 60 N -2.00 3.47 0.04 -0.62 1.02 0.44 -4.92 119.74 117.17 3fm7 s LYS 60 Ca 0.07 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3fm7 s LYS 60 Cb -0.10 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3fm7 s LYS 60 CO 0.04 0.48 -0.10 0.71 -0.92 0.00 0.00 175.35 175.56 3fm7 s TYR 61 N -1.78 0.85 -0.01 3.18 2.02 -1.26 -0.94 117.35 119.42 3fm7 s TYR 61 Ca 0.36 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 3fm7 s TYR 61 Cb -0.11 -0.50 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3fm7 s TYR 61 CO 0.29 -0.02 -0.10 0.42 -1.57 0.00 0.00 175.55 174.56 3fm7 s ILE 62 N -1.11 0.79 -0.06 2.71 1.01 -0.92 -4.96 121.20 118.66 3fm7 s ILE 62 Ca -0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3fm7 s ILE 62 Cb -0.09 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.74 3fm7 s ILE 62 CO 0.01 0.23 0.05 -0.69 0.00 0.00 0.00 174.94 174.54 3fm7 s VAL 63 N -0.13 0.01 0.12 2.92 1.01 -1.26 0.94 120.40 124.01 3fm7 s VAL 63 Ca 0.02 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.42 3fm7 s VAL 63 Cb -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3fm7 s VAL 63 CO -0.00 0.17 -0.24 -0.89 0.00 0.00 0.00 175.10 174.14 3fm7 s THR 64 N 2.12 2.45 -0.07 3.92 2.01 -0.64 -4.97 115.64 120.46 3fm7 s THR 64 Ca 0.05 -1.66 0.02 0.00 0.31 0.00 0.00 61.69 60.41 3fm7 s THR 64 Cb -0.12 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.31 3fm7 s THR 64 CO -0.04 0.11 -0.10 0.00 -0.69 0.00 0.00 174.62 173.90 3fm7 s ALA 65 N -1.07 1.13 -0.03 7.40 0.00 -1.26 -1.50 121.76 126.43 3fm7 s ALA 65 Ca 0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3fm7 s ALA 65 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3fm7 s ALA 65 CO 0.07 0.03 0.25 -1.64 0.00 0.00 0.00 175.76 174.47 3fm7 s MET 66 N 0.83 3.59 -0.08 0.00 -1.94 0.19 -4.98 119.30 116.90 3fm7 s MET 66 Ca -0.12 -0.03 -0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3fm7 s MET 66 Cb -0.15 -3.13 0.02 0.00 2.01 0.00 0.00 34.83 33.59 3fm7 s MET 66 CO 0.02 0.69 -0.04 0.42 -0.01 0.00 0.00 175.02 176.09 3fm7 s ILE 67 N -1.20 0.67 -0.14 2.53 1.01 -1.26 -1.68 121.20 121.13 3fm7 s ILE 67 Ca 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.81 3fm7 s ILE 67 Cb -0.13 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3fm7 s ILE 67 CO 0.13 0.30 -0.21 -0.32 0.00 0.00 0.00 174.94 174.84 3fm7 s MET 68 N 1.63 3.07 0.26 2.79 1.75 -1.01 -5.00 119.30 122.79 3fm7 s MET 68 Ca 0.01 -0.83 -0.28 0.00 -1.25 0.00 0.00 55.69 53.34 3fm7 s MET 68 Cb -0.13 -2.46 -0.15 0.00 2.84 0.00 0.00 34.83 34.93 3fm7 s MET 68 CO -0.05 0.02 0.91 0.94 -0.65 0.00 0.00 175.02 176.19 3fm7 n GLN 69 N 3.99 1.03 -2.57 4.11 7.27 -1.26 -0.79 117.38 129.17 3fm7 n GLN 69 Ca -0.20 0.36 -0.42 0.00 0.07 0.00 0.00 57.00 56.82 3fm7 n GLN 69 Cb 0.52 -1.65 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 3fm7 n GLN 69 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3fm7 s LYS 70 N -1.36 3.37 0.00 3.69 1.02 0.87 -4.69 119.74 122.63 3fm7 s LYS 70 Ca 0.61 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.62 3fm7 s LYS 70 Cb -0.76 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.46 3fm7 s LYS 70 CO 0.59 -1.89 0.00 -1.71 -0.92 0.00 0.00 175.35 171.41 3fm7 n ASN 71 N 8.86 0.63 0.00 2.83 5.15 -1.26 -4.83 115.26 126.64 3fm7 n ASN 71 Ca 0.06 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 3fm7 n ASN 71 Cb 0.49 0.35 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 3fm7 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fm7 n GLY 72 N 0.54 1.32 3.80 8.20 0.00 -1.26 -5.12 105.19 112.67 3fm7 n GLY 72 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3fm7 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fm7 s ALA 73 N -2.00 2.50 -0.30 4.61 0.00 -1.26 -5.05 121.76 120.26 3fm7 s ALA 73 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 3fm7 s ALA 73 Cb 0.00 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.00 3fm7 s ALA 73 CO 0.00 -1.44 -0.01 0.20 0.00 0.00 0.00 175.76 174.50 3fm7 s GLY 74 N -3.73 1.76 0.15 0.00 0.00 -1.26 -5.09 107.32 99.15 3fm7 s GLY 74 Ca 0.59 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 43.46 3fm7 s GLY 74 CO 0.55 0.71 0.29 -2.27 0.00 0.00 0.00 173.10 172.38 3fm7 s LEU 75 N 1.17 4.34 -0.18 0.66 2.96 -1.26 -5.10 118.68 121.27 3fm7 s LEU 75 Ca -0.04 0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3fm7 s LEU 75 Cb -0.20 -2.91 0.09 0.00 0.50 0.00 0.00 46.19 43.67 3fm7 s LEU 75 CO -0.03 0.05 0.35 -1.00 -1.32 0.00 0.00 176.35 174.39 3fm7 s HIS 76 N -1.75 -0.64 0.02 5.38 3.76 -1.26 -5.15 115.29 115.64 3fm7 s HIS 76 Ca 0.35 1.18 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 3fm7 s HIS 76 Cb -0.11 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.65 3fm7 s HIS 76 CO 0.29 -0.47 0.24 0.99 -0.85 0.00 0.00 174.74 174.93 3fm7 s THR 77 N 2.52 5.35 -0.23 1.30 2.01 -1.26 -5.10 115.64 120.22 3fm7 s THR 77 Ca 0.02 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 3fm7 s THR 77 Cb -0.13 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 68.88 3fm7 s THR 77 CO -0.12 0.28 0.59 0.00 -0.69 0.00 0.00 174.62 174.69 3fm7 s ALA 78 N -1.38 -1.53 -0.32 7.40 0.00 -1.26 -5.14 121.76 119.52 3fm7 s ALA 78 Ca 0.30 1.93 0.06 0.00 0.00 0.00 0.00 51.96 54.25 3fm7 s ALA 78 Cb -0.13 -1.14 0.19 0.00 0.00 0.00 0.00 23.12 22.05 3fm7 s ALA 78 CO 0.20 -0.32 0.58 -1.54 0.00 0.00 0.00 175.76 174.68 3fm7 s SER 79 N 1.04 -1.41 0.31 0.00 1.04 -1.26 -5.14 113.70 108.28 3fm7 s SER 79 Ca -0.06 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.29 3fm7 s SER 79 Cb -0.05 1.92 -0.03 0.00 0.10 0.00 0.00 66.02 67.96 3fm7 s SER 79 CO -0.10 -0.27 0.30 -0.44 0.98 0.00 0.00 173.24 173.71 3fm7 s SER 80 N 2.51 5.48 0.15 7.02 0.01 -1.26 -5.15 113.70 122.46 3fm7 s SER 80 Ca 0.12 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.02 3fm7 s SER 80 Cb -0.09 -1.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.99 3fm7 s SER 80 CO -0.21 -0.28 0.16 0.00 0.41 0.00 0.00 173.24 173.32 3fm7 n TYR 82 N -0.26 0.86 -3.15 0.00 9.36 -1.26 -5.11 117.16 117.60 3fm7 n TYR 82 Ca 0.02 -2.57 -0.12 0.00 3.32 0.00 0.00 57.90 58.56 3fm7 n TYR 82 Cb 0.26 -0.17 0.03 0.00 -0.63 0.00 0.00 39.34 38.83 3fm7 n TYR 82 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 3fm7 n TRP 83 N -0.25 -2.29 -3.07 2.98 2.14 -1.26 -5.07 117.44 110.62 3fm7 n TRP 83 Ca 0.07 -1.25 -0.42 0.00 2.07 0.00 0.00 57.50 57.97 3fm7 n TRP 83 Cb 0.82 -0.31 -0.06 0.00 -0.81 0.00 0.00 31.31 30.95 3fm7 n TRP 83 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 3fm7 s ASN 84 N -3.04 6.40 0.44 -0.67 2.47 -1.26 -4.94 114.94 114.34 3fm7 s ASN 84 Ca 0.32 -0.04 0.29 0.00 0.42 0.00 0.00 52.86 53.85 3fm7 s ASN 84 Cb -0.03 -2.34 1.58 0.00 -1.45 0.00 0.00 41.25 39.02 3fm7 s ASN 84 CO 0.20 -0.73 1.89 -0.55 -3.72 0.00 0.00 177.10 174.20 3fm7 h ASN 85 N 8.69 0.00 0.35 -4.21 -1.07 -1.98 -0.67 115.58 116.69 3fm7 h ASN 85 Ca -0.26 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 55.83 3fm7 h ASN 85 Cb 1.10 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.30 3fm7 h ASN 85 CO 0.88 0.00 -1.89 0.47 0.07 0.00 0.00 177.43 176.96 3fm7 n ASP 86 N -2.53 0.55 -0.02 6.14 10.43 -1.26 -4.26 116.55 125.60 3fm7 n ASP 86 Ca -0.02 0.26 0.06 0.00 2.57 0.00 0.00 54.79 57.66 3fm7 n ASP 86 Cb 0.06 0.40 -0.15 0.00 1.84 0.00 0.00 41.12 43.27 3fm7 n ASP 86 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3fm7 n THR 87 N -2.89 0.38 -4.36 -3.53 -2.24 -0.38 -5.01 114.28 96.25 3fm7 n THR 87 Ca -0.20 -0.58 -0.24 0.00 -2.27 0.00 0.00 64.05 60.75 3fm7 n THR 87 Cb 1.03 -0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 3fm7 n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fm7 s ASP 88 N -4.84 2.95 0.09 3.42 1.01 -0.48 -4.63 116.67 114.19 3fm7 s ASP 88 Ca -0.08 -0.82 -0.27 0.00 0.71 0.00 0.00 52.55 52.10 3fm7 s ASP 88 Cb 0.12 -0.19 0.08 0.00 1.01 0.00 0.00 42.92 43.94 3fm7 s ASP 88 CO 0.88 0.05 1.05 -0.83 0.21 0.00 0.00 175.17 176.54 3fm7 s GLY 89 N -2.45 -0.30 0.02 0.21 0.00 -1.13 -4.68 107.32 98.99 3fm7 s GLY 89 Ca 0.15 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 45.09 3fm7 s GLY 89 CO 0.07 0.07 0.31 -1.35 0.00 0.00 0.00 173.10 172.19 3fm7 s SER 90 N -2.91 -0.15 -0.08 1.64 1.04 -1.26 -0.36 113.70 111.62 3fm7 s SER 90 Ca 0.12 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.51 3fm7 s SER 90 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3fm7 s SER 90 CO -0.00 -0.54 -0.11 0.00 0.98 0.00 0.00 173.24 173.57 3fm7 s THR 92 N 0.89 3.79 -0.10 0.00 2.01 -1.26 -1.10 115.64 119.86 3fm7 s THR 92 Ca -0.10 -1.17 -0.07 0.00 0.31 0.00 0.00 61.69 60.66 3fm7 s THR 92 Cb -0.15 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.57 3fm7 s THR 92 CO 0.01 0.06 0.26 -0.69 -0.69 0.00 0.00 174.62 173.57 3fm7 s VAL 93 N -1.40 -0.02 -0.04 3.82 1.01 0.26 -4.99 120.40 119.04 3fm7 s VAL 93 Ca 0.25 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.36 3fm7 s VAL 93 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3fm7 s VAL 93 CO 0.17 0.03 -0.21 -0.13 0.00 0.00 0.00 175.10 174.96 3fm7 s ARG 94 N 0.71 1.98 -0.26 2.72 3.00 -1.26 -1.19 118.95 124.65 3fm7 s ARG 94 Ca -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 55.73 54.91 3fm7 s ARG 94 Cb -0.06 -1.78 0.14 0.00 0.00 0.00 0.00 34.95 33.25 3fm7 s ARG 94 CO -0.04 0.38 0.35 -0.46 0.00 0.00 0.00 175.30 175.52 3fm7 s TRP 95 N -0.26 -0.73 0.16 -0.53 -0.00 -0.44 -5.02 118.94 112.12 3fm7 s TRP 95 Ca 0.02 0.43 -0.05 0.00 -0.00 0.00 0.00 56.10 56.50 3fm7 s TRP 95 Cb -0.11 -0.17 -0.06 0.00 -0.00 0.00 0.00 33.47 33.14 3fm7 s TRP 95 CO 0.01 -0.81 0.39 -1.21 -0.00 0.00 0.00 176.95 175.34 3fm7 s GLU 96 N 2.48 3.62 0.00 5.86 2.02 -1.26 -2.29 118.70 129.12 3fm7 s GLU 96 Ca 0.11 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.00 3fm7 s GLU 96 Cb -0.14 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3fm7 s GLU 96 CO -0.22 0.44 0.00 0.27 0.02 0.00 0.00 175.26 175.77 3fm7 n ASN 97 N -0.05 0.00 -0.07 -0.19 0.23 -0.98 -5.02 115.26 109.19 3fm7 n ASN 97 Ca -0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.95 3fm7 n ASN 97 Cb 0.52 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.07 3fm7 n ASN 97 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3fm7 n LYS 98 N 0.00 0.67 -0.00 -3.83 4.81 -1.26 -4.67 118.16 113.88 3fm7 n LYS 98 Ca 0.00 0.03 0.01 0.00 -0.87 0.00 0.00 58.31 57.48 3fm7 n LYS 98 Cb 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 35.03 33.46 3fm7 n LYS 98 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3fm7 n THR 99 N -2.76 0.00 -3.63 3.15 -2.24 -1.26 -4.78 114.28 102.76 3fm7 n THR 99 Ca -0.27 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 3fm7 n THR 99 Cb 1.08 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 70.16 3fm7 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fm7 s MET 100 N -1.25 0.78 0.99 -0.78 0.23 -1.26 -0.09 119.30 117.92 3fm7 s MET 100 Ca 0.00 0.96 -0.17 0.00 -1.03 0.00 0.00 55.69 55.45 3fm7 s MET 100 Cb 0.01 0.37 0.23 0.00 -1.53 0.00 0.00 34.83 33.91 3fm7 s MET 100 CO 0.05 -0.10 1.35 0.66 -2.03 0.00 0.00 175.02 174.95 3fm7 n TYR 101 N 2.72 -3.99 -3.64 3.16 4.01 0.03 -2.31 117.16 117.15 3fm7 n TYR 101 Ca -0.14 -1.20 -0.06 0.00 -0.16 0.00 0.00 57.90 56.34 3fm7 n TYR 101 Cb 0.55 -1.04 -0.07 0.00 -0.31 0.00 0.00 39.34 38.48 3fm7 n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fm7 s ILE 103 N 0.50 0.08 -0.07 0.00 1.01 -0.68 -1.33 121.20 120.71 3fm7 s ILE 103 Ca 0.01 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.87 3fm7 s ILE 103 Cb -0.05 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3fm7 s ILE 103 CO -0.10 0.15 -0.16 0.68 0.00 0.00 0.00 174.94 175.50 3fm7 s VAL 104 N 1.32 1.41 -0.21 2.92 -7.23 -0.33 0.52 120.40 118.80 3fm7 s VAL 104 Ca -0.06 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.42 3fm7 s VAL 104 Cb -0.13 -1.25 0.07 0.00 0.56 0.00 0.00 36.38 35.63 3fm7 s VAL 104 CO -0.03 0.41 0.08 -0.44 -0.31 0.00 0.00 175.10 174.82 3fm7 s SER 105 N 0.46 2.84 -0.07 4.85 0.01 -0.56 -0.58 113.70 120.65 3fm7 s SER 105 Ca -0.13 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.22 3fm7 s SER 105 Cb -0.15 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 3fm7 s SER 105 CO 0.05 -0.36 0.13 0.68 0.41 0.00 0.00 173.24 174.14 3fm7 s VAL 106 N 2.02 5.22 0.15 3.43 -7.23 -0.26 -1.62 120.40 122.11 3fm7 s VAL 106 Ca 0.03 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.25 3fm7 s VAL 106 Cb -0.16 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 3fm7 s VAL 106 CO -0.15 0.49 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.53 3fm7 s PHE 107 N -1.12 2.10 -0.50 2.82 2.99 0.27 -0.59 117.98 123.94 3fm7 s PHE 107 Ca 0.20 -0.40 0.06 0.00 0.00 0.00 0.00 56.93 56.79 3fm7 s PHE 107 Cb -0.12 -1.10 0.22 0.00 0.00 0.00 0.00 43.02 42.02 3fm7 s PHE 107 CO 0.10 0.35 0.52 0.41 -0.00 0.00 0.00 175.22 176.60 3fm7 n GLY 108 N 0.68 3.30 3.81 4.36 0.00 0.52 -2.17 105.19 115.68 3fm7 n GLY 108 Ca -0.16 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 3fm7 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fm7 s LEU 109 N -1.20 4.53 0.27 0.99 1.02 -0.11 -2.82 118.68 121.36 3fm7 s LEU 109 Ca 0.34 1.30 0.02 0.00 0.02 0.00 0.00 54.13 55.81 3fm7 s LEU 109 Cb 0.10 -2.93 -0.03 0.00 0.02 0.00 0.00 46.19 43.34 3fm7 s LEU 109 CO -0.12 0.27 0.44 0.00 0.02 0.00 0.00 176.35 176.95 3fm7 s ALA 110 N -1.09 3.83 -2.02 4.21 0.00 -1.26 0.17 121.76 125.59 3fm7 s ALA 110 Ca 0.30 -1.04 0.32 0.00 0.00 0.00 0.00 51.96 51.53 3fm7 s ALA 110 Cb -0.20 -1.92 1.87 0.00 0.00 0.00 0.00 23.12 22.87 3fm7 s ALA 110 CO 0.20 0.17 2.21 1.33 0.00 0.00 0.00 175.76 179.67