#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfq n PHE 15 N 0.00 -2.41 -3.45 -0.14 3.01 -1.26 -4.90 117.46 108.31 1mfq n PHE 15 Ca 0.00 -0.31 -0.20 0.00 1.01 0.00 0.00 57.45 57.95 1mfq n PHE 15 Cb 0.00 -1.48 -0.02 0.00 -0.01 0.00 0.00 39.48 37.96 1mfq n PHE 15 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1mfq s ILE 16 N -2.20 2.73 -0.13 4.37 -4.36 -0.17 -4.88 121.20 116.55 1mfq s ILE 16 Ca 0.59 -1.27 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 1mfq s ILE 16 Cb -0.15 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 1mfq s ILE 16 CO 0.56 0.00 -0.02 0.00 0.24 0.00 0.00 174.94 175.73 1mfq s ILE 18 N -0.05 0.79 -0.02 0.00 -1.09 -0.55 -5.01 121.20 115.27 1mfq s ILE 18 Ca 0.03 -1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1mfq s ILE 18 Cb -0.13 -1.43 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 1mfq s ILE 18 CO 0.02 -0.44 0.33 -0.31 -1.23 0.00 0.00 174.94 173.31 1mfq s TYR 19 N 1.69 3.67 0.54 3.97 1.51 -1.26 -2.13 117.35 125.33 1mfq s TYR 19 Ca 0.04 0.82 0.28 0.00 -1.01 0.00 0.00 57.07 57.19 1mfq s TYR 19 Cb -0.17 -2.16 1.43 0.00 -0.11 0.00 0.00 41.96 40.95 1mfq s TYR 19 CO -0.17 0.65 1.96 -1.35 -1.11 0.00 0.00 175.55 175.53 1mfq h PRO 20 N 4.60 0.00 -0.82 -1.71 0.11 -1.87 0.22 132.00 132.53 1mfq h PRO 20 Ca -0.52 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.73 1mfq h PRO 20 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1mfq h PRO 20 CO 0.61 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 178.94 1mfq h ALA 21 N 1.66 1.93 -0.97 -0.75 0.00 -1.90 -0.18 119.26 119.06 1mfq h ALA 21 Ca 0.30 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1mfq h ALA 21 Cb 1.23 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1mfq h ALA 21 CO -0.00 -0.14 0.61 1.88 0.00 0.00 0.00 179.25 181.59 1mfq h TYR 22 N 0.59 0.98 -0.54 0.00 0.05 -0.46 -2.57 116.97 115.03 1mfq h TYR 22 Ca 0.40 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 59.02 1mfq h TYR 22 Cb 0.72 -0.30 -0.11 0.00 1.01 0.00 0.00 36.73 38.04 1mfq h TYR 22 CO -0.00 0.32 0.15 1.28 -1.05 0.00 0.00 178.16 178.86 1mfq n LEU 23 N -4.64 5.04 -4.45 3.88 4.77 -0.11 -1.42 117.00 120.07 1mfq n LEU 23 Ca 0.20 -3.40 -0.39 0.00 -0.03 0.00 0.00 56.01 52.39 1mfq n LEU 23 Cb 0.48 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1mfq n LEU 23 CO 0.26 0.95 -0.19 0.21 -1.33 0.00 0.00 177.39 177.29 1mfq s ASN 24 N -1.76 5.63 0.00 -1.43 2.47 -0.97 -2.19 114.94 116.69 1mfq s ASN 24 Ca 0.49 -0.50 0.17 0.00 0.42 0.00 0.00 52.86 53.44 1mfq s ASN 24 Cb 0.41 -2.02 0.74 0.00 -1.45 0.00 0.00 41.25 38.93 1mfq s ASN 24 CO 0.08 -0.20 1.55 -0.46 -3.72 0.00 0.00 177.10 174.35 1mfq n ASN 25 N 5.00 0.00 -0.58 -4.21 0.23 0.19 -2.18 115.26 113.71 1mfq n ASN 25 Ca -0.14 0.49 0.13 0.00 -0.53 0.00 0.00 54.58 54.53 1mfq n ASN 25 Cb 0.49 -0.50 0.42 0.00 -2.08 0.00 0.00 39.78 38.12 1mfq n ASN 25 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1mfq n LYS 26 N -1.50 1.78 -4.29 -3.83 4.76 -1.26 -4.89 118.16 108.94 1mfq n LYS 26 Ca 0.04 -1.15 -0.32 0.00 -2.87 0.00 0.00 58.31 54.01 1mfq n LYS 26 Cb 0.20 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 31.85 1mfq n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1mfq s LYS 27 N -1.90 2.60 0.29 1.97 1.02 -0.93 -5.12 119.74 117.67 1mfq s LYS 27 Ca 0.35 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 1mfq s LYS 27 Cb 0.20 -2.56 0.07 0.00 -0.52 0.00 0.00 37.83 35.02 1mfq s LYS 27 CO 0.31 0.59 0.39 0.25 -0.92 0.00 0.00 175.35 175.96 1mfq n THR 28 N 1.15 0.00 0.27 2.17 -2.24 -1.26 -4.66 114.28 109.71 1mfq n THR 28 Ca -0.14 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 1mfq n THR 28 Cb 0.52 -1.81 -0.05 0.00 -2.10 0.00 0.00 70.33 66.90 1mfq n THR 28 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1mfq h ILE 29 N -1.17 0.00 0.00 2.28 1.08 -1.96 -2.53 117.51 115.21 1mfq h ILE 29 Ca -0.13 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1mfq h ILE 29 Cb 0.35 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1mfq h ILE 29 CO 0.09 0.00 0.31 0.00 -0.69 0.00 0.00 178.15 177.87 1mfq h ALA 30 N -1.56 1.30 -0.00 1.87 0.00 -1.94 0.53 119.26 119.47 1mfq h ALA 30 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mfq h ALA 30 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mfq h ALA 30 CO 0.12 -0.30 -0.10 0.39 0.00 0.00 0.00 179.25 179.35 1mfq n GLU 31 N -2.81 0.67 0.00 0.00 1.02 -1.08 -4.91 120.64 113.54 1mfq n GLU 31 Ca -0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1mfq n GLU 31 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1mfq n GLU 31 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mfq n GLY 32 N 1.28 1.25 3.74 0.62 0.00 0.19 -4.85 105.19 107.41 1mfq n GLY 32 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1mfq n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mfq s ARG 33 N -0.14 4.54 -0.00 1.61 3.52 -0.97 -3.02 118.95 124.48 1mfq s ARG 33 Ca 0.00 1.84 0.05 0.00 -0.13 0.00 0.00 55.73 57.50 1mfq s ARG 33 Cb 0.00 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 30.10 1mfq s ARG 33 CO 0.00 0.01 0.21 0.54 -0.81 0.00 0.00 175.30 175.25 1mfq n ARG 34 N 2.11 4.63 -4.33 5.12 5.12 -0.51 -4.73 116.66 124.08 1mfq n ARG 34 Ca 0.03 -0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.72 1mfq n ARG 34 Cb 0.45 -0.80 -0.11 0.00 -1.16 0.00 0.00 32.46 30.84 1mfq n ARG 34 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1mfq s ILE 35 N -1.61 1.79 0.36 0.55 -4.36 -1.23 -5.09 121.20 111.61 1mfq s ILE 35 Ca 0.02 -1.90 -0.27 0.00 -0.26 0.00 0.00 60.65 58.24 1mfq s ILE 35 Cb 0.04 -1.82 -0.12 0.00 1.25 0.00 0.00 42.46 41.81 1mfq s ILE 35 CO 0.22 -0.32 1.13 -2.65 0.24 0.00 0.00 174.94 173.56 1mfq n PRO 36 N 0.31 1.66 -0.25 0.37 -0.02 -1.26 -4.62 135.00 131.19 1mfq n PRO 36 Ca -0.13 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.08 1mfq n PRO 36 Cb 0.57 -2.12 0.43 0.00 -0.02 0.00 0.00 33.50 32.36 1mfq n PRO 36 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1mfq h ILE 37 N 2.04 0.78 -0.42 4.25 2.04 -1.95 0.24 117.51 124.48 1mfq h ILE 37 Ca -0.44 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.34 1mfq h ILE 37 Cb 1.32 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1mfq h ILE 37 CO 0.60 0.11 0.32 0.77 0.00 0.00 0.00 178.15 179.95 1mfq h SER 38 N 0.58 0.00 0.00 1.72 4.64 -2.00 -2.08 113.55 116.41 1mfq h SER 38 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1mfq h SER 38 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1mfq h SER 38 CO -0.20 0.00 -1.46 0.29 -0.87 0.00 0.00 176.83 174.59 1mfq n LYS 39 N -4.28 0.85 -0.34 4.77 4.01 0.60 -5.01 118.16 118.75 1mfq n LYS 39 Ca 0.07 -0.11 -0.28 0.00 -0.51 0.00 0.00 58.31 57.49 1mfq n LYS 39 Cb 0.52 -1.32 0.26 0.00 -0.51 0.00 0.00 35.03 33.97 1mfq n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mfq n ALA 40 N -1.87 -3.99 -2.39 7.82 0.00 0.16 -4.56 120.51 115.68 1mfq n ALA 40 Ca -0.01 -1.64 -0.14 0.00 0.00 0.00 0.00 53.44 51.65 1mfq n ALA 40 Cb 0.36 -1.54 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 1mfq n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfq s VAL 41 N -2.16 0.92 0.00 0.00 1.01 -0.93 -4.76 120.40 114.48 1mfq s VAL 41 Ca 0.62 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1mfq s VAL 41 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1mfq s VAL 41 CO 0.55 -0.65 0.00 1.21 0.00 0.00 0.00 175.10 176.21 1mfq n GLU 42 N 0.34 0.00 -3.65 2.72 4.07 -1.26 0.54 120.64 123.40 1mfq n GLU 42 Ca -0.14 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.67 1mfq n GLU 42 Cb 0.59 -0.12 -0.12 0.00 -0.06 0.00 0.00 31.44 31.73 1mfq n GLU 42 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1mfq s ASN 43 N -2.83 3.22 0.36 4.31 0.01 -1.26 -3.81 114.94 114.93 1mfq s ASN 43 Ca 0.00 -3.18 -0.28 0.00 -0.71 0.00 0.00 52.86 48.68 1mfq s ASN 43 Cb 0.00 -1.00 -0.10 0.00 0.41 0.00 0.00 41.25 40.55 1mfq s ASN 43 CO 0.00 -0.17 1.38 -2.16 -1.51 0.00 0.00 177.10 174.64 1mfq s PRO 44 N -0.34 4.22 -0.09 -0.60 0.04 -1.26 -5.01 135.00 131.96 1mfq s PRO 44 Ca 0.26 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1mfq s PRO 44 Cb -0.08 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 1mfq s PRO 44 CO -0.13 -0.36 -0.09 0.95 0.04 0.00 0.00 177.00 177.42 1mfq s THR 45 N -1.14 3.51 0.39 1.26 -4.23 -1.26 -4.80 115.64 109.38 1mfq s THR 45 Ca 0.51 -0.53 0.24 0.00 -1.18 0.00 0.00 61.69 60.73 1mfq s THR 45 Cb -0.43 -2.45 0.41 0.00 1.34 0.00 0.00 72.50 71.37 1mfq s THR 45 CO 0.57 0.56 1.61 0.00 -0.54 0.00 0.00 174.62 176.82 1mfq h ALA 46 N 5.80 2.39 0.58 3.99 0.00 -1.86 0.29 119.26 130.45 1mfq h ALA 46 Ca -0.41 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1mfq h ALA 46 Cb 1.18 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1mfq h ALA 46 CO 0.55 -1.09 -0.46 1.15 0.00 0.00 0.00 179.25 179.39 1mfq h THR 47 N 0.08 0.08 -0.85 0.00 2.02 -1.94 -0.58 112.91 111.73 1mfq h THR 47 Ca 0.83 0.00 0.15 0.00 0.77 0.00 0.00 66.41 68.15 1mfq h THR 47 Cb 2.33 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.72 1mfq h THR 47 CO -0.60 0.00 0.44 -0.33 0.37 0.00 0.00 175.52 175.40 1mfq h GLU 48 N -1.02 0.60 -0.32 6.66 5.08 -0.87 0.27 114.58 124.99 1mfq h GLU 48 Ca -0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1mfq h GLU 48 Cb 0.86 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1mfq h GLU 48 CO 0.00 0.40 0.12 0.82 -1.00 0.00 0.00 179.01 179.35 1mfq h ILE 49 N 0.62 0.93 -0.41 3.13 2.04 -0.80 -1.42 117.51 121.60 1mfq h ILE 49 Ca 0.46 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 66.18 1mfq h ILE 49 Cb 0.66 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1mfq h ILE 49 CO -0.36 0.05 0.05 -0.61 0.00 0.00 0.00 178.15 177.28 1mfq h GLN 50 N 0.26 0.70 -0.03 2.37 4.15 0.51 -2.30 115.11 120.77 1mfq h GLN 50 Ca 0.14 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1mfq h GLN 50 Cb 0.10 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1mfq h GLN 50 CO -0.13 0.75 0.03 -0.44 -1.93 0.00 0.00 178.83 177.10 1mfq h ASP 51 N 0.54 0.00 0.69 -0.69 3.45 0.02 0.11 116.42 120.54 1mfq h ASP 51 Ca 0.12 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.36 1mfq h ASP 51 Cb 0.40 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.13 1mfq h ASP 51 CO 0.01 0.00 -1.45 -0.37 -1.57 0.00 0.00 179.24 175.86 1mfq h VAL 52 N 0.00 0.76 -0.03 -1.35 -1.51 -1.11 -3.26 116.25 109.75 1mfq h VAL 52 Ca 0.02 -2.41 -0.21 0.00 -1.23 0.00 0.00 66.70 62.86 1mfq h VAL 52 Cb 0.07 2.28 0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1mfq h VAL 52 CO -0.00 0.43 -0.79 0.00 -1.23 0.00 0.00 177.57 175.98 1mfq h SER 54 N 0.20 0.00 -1.14 0.00 4.64 -1.15 -2.95 113.55 113.16 1mfq h SER 54 Ca -0.09 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.65 1mfq h SER 54 Cb 1.47 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.33 1mfq h SER 54 CO 0.16 0.12 0.72 0.00 -0.87 0.00 0.00 176.83 176.96 1mfq n ALA 55 N -2.27 6.14 -0.63 5.18 0.00 -1.18 -3.47 120.51 124.28 1mfq n ALA 55 Ca -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1mfq n ALA 55 Cb 0.25 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1mfq n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mfq n VAL 56 N -0.17 0.00 0.00 0.00 0.31 -1.14 -4.99 118.33 112.35 1mfq n VAL 56 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1mfq n VAL 56 Cb 0.51 0.55 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 1mfq n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mfq n GLY 57 N 0.00 1.12 3.79 2.92 0.00 -1.23 -5.09 105.19 106.71 1mfq n GLY 57 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1mfq n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mfq s LEU 58 N 0.00 4.56 -0.27 0.99 1.43 -1.13 -4.97 118.68 119.29 1mfq s LEU 58 Ca 0.00 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.36 1mfq s LEU 58 Cb 0.00 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 1mfq s LEU 58 CO 0.00 0.22 0.79 0.20 0.23 0.00 0.00 176.35 177.79 1mfq s ASN 59 N -1.17 6.73 -0.05 2.29 0.02 -1.26 -4.36 114.94 117.13 1mfq s ASN 59 Ca 0.34 0.83 -0.23 0.00 -1.02 0.00 0.00 52.86 52.78 1mfq s ASN 59 Cb -0.21 -2.41 0.05 0.00 0.02 0.00 0.00 41.25 38.69 1mfq s ASN 59 CO 0.23 -0.54 0.52 0.54 0.02 0.00 0.00 177.10 177.87 1mfq s VAL 60 N 2.85 0.02 0.03 1.60 0.11 -1.26 -0.34 120.40 123.41 1mfq s VAL 60 Ca 0.33 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1mfq s VAL 60 Cb -0.15 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1mfq s VAL 60 CO 0.10 -0.11 -0.10 0.72 -3.33 0.00 0.00 175.10 172.38 1mfq s PHE 61 N -1.09 0.89 -0.24 1.54 -0.12 -0.01 -4.98 117.98 113.98 1mfq s PHE 61 Ca -0.11 -0.32 -0.19 0.00 -0.05 0.00 0.00 56.93 56.26 1mfq s PHE 61 Cb -0.03 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1mfq s PHE 61 CO 0.07 -0.01 0.58 -1.17 -0.05 0.00 0.00 175.22 174.64 1mfq s LEU 62 N -0.95 4.08 -1.15 -1.99 2.96 -1.26 -0.99 118.68 119.38 1mfq s LEU 62 Ca -0.01 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 1mfq s LEU 62 Cb -0.07 -2.79 0.26 0.00 0.50 0.00 0.00 46.19 44.09 1mfq s LEU 62 CO 0.01 -0.31 1.73 -0.62 -1.32 0.00 0.00 176.35 175.83 1mfq n GLU 63 N 5.44 4.44 -0.14 1.98 1.02 0.22 -4.89 120.64 128.71 1mfq n GLU 63 Ca -0.02 -4.21 0.08 0.00 -0.02 0.00 0.00 57.16 52.98 1mfq n GLU 63 Cb 0.49 -2.62 0.15 0.00 -0.02 0.00 0.00 31.44 29.44 1mfq n GLU 63 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1mfq n LYS 64 N 1.76 -0.03 0.00 3.49 0.00 -1.26 -1.67 118.16 120.45 1mfq n LYS 64 Ca 0.36 0.62 0.09 0.00 -0.00 0.00 0.00 58.31 59.39 1mfq n LYS 64 Cb 0.32 -1.02 -0.08 0.00 -0.00 0.00 0.00 35.03 34.26 1mfq n LYS 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1mfq n ASN 65 N -4.34 1.23 -4.71 -5.58 3.02 -1.26 -3.67 115.26 99.95 1mfq n ASN 65 Ca 0.11 -1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.20 1mfq n ASN 65 Cb 0.37 0.83 0.10 0.00 -0.61 0.00 0.00 39.78 40.48 1mfq n ASN 65 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mfq s LYS 66 N -2.67 2.00 -0.03 3.52 -0.14 -0.67 -4.69 119.74 117.06 1mfq s LYS 66 Ca 0.10 1.86 0.02 0.00 -1.36 0.00 0.00 55.97 56.59 1mfq s LYS 66 Cb 0.15 -1.81 0.01 0.00 -1.68 0.00 0.00 37.83 34.50 1mfq s LYS 66 CO 0.71 -1.96 -0.10 -1.64 -0.76 0.00 0.00 175.35 171.60 1mfq s MET 67 N -3.86 1.10 0.04 1.68 -1.94 -1.26 -0.79 119.30 114.26 1mfq s MET 67 Ca 0.76 -0.32 -0.31 0.00 -1.71 0.00 0.00 55.69 54.11 1mfq s MET 67 Cb -0.32 -1.00 -0.06 0.00 2.01 0.00 0.00 34.83 35.46 1mfq s MET 67 CO 0.46 0.10 1.41 -0.47 -0.01 0.00 0.00 175.02 176.51 1mfq s TYR 68 N 0.29 2.96 0.45 -0.03 5.04 -1.26 -4.91 117.35 119.89 1mfq s TYR 68 Ca -0.05 0.84 0.21 0.00 -2.44 0.00 0.00 57.07 55.63 1mfq s TYR 68 Cb -0.10 -3.68 1.19 0.00 0.35 0.00 0.00 41.96 39.71 1mfq s TYR 68 CO 0.01 -2.50 1.88 0.77 -1.34 0.00 0.00 175.55 174.37 1mfq h SER 69 N 7.52 0.29 -0.64 4.32 0.02 -2.01 -1.01 113.55 122.04 1mfq h SER 69 Ca -0.40 0.03 -0.40 0.00 -0.84 0.00 0.00 61.79 60.18 1mfq h SER 69 Cb 1.19 -0.02 -0.19 0.00 0.14 0.00 0.00 62.40 63.52 1mfq h SER 69 CO 0.89 0.12 0.52 0.54 -1.14 0.00 0.00 176.83 177.76 1mfq n ARG 70 N -4.45 1.99 -3.84 3.45 1.74 -1.26 -4.74 116.66 109.55 1mfq n ARG 70 Ca 0.18 -2.05 -0.30 0.00 -0.77 0.00 0.00 57.85 54.91 1mfq n ARG 70 Cb 0.73 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 1mfq n ARG 70 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1mfq s GLU 71 N -2.34 1.45 0.39 5.56 2.56 -0.38 -4.86 118.70 121.07 1mfq s GLU 71 Ca 0.40 -2.04 0.07 0.00 0.00 0.00 0.00 54.97 53.40 1mfq s GLU 71 Cb 0.32 -2.74 0.81 0.00 2.00 0.00 0.00 34.13 34.52 1mfq s GLU 71 CO 0.02 -1.08 2.01 0.11 -0.56 0.00 0.00 175.26 175.76 1mfq h TRP 72 N 7.01 0.62 -4.24 5.30 0.09 -1.86 -3.44 115.95 119.44 1mfq h TRP 72 Ca -0.06 0.02 -0.52 0.00 0.09 0.00 0.00 58.89 58.42 1mfq h TRP 72 Cb 0.95 -0.21 0.13 0.00 0.08 0.00 0.00 29.16 30.11 1mfq h TRP 72 CO 0.47 0.36 0.34 1.21 0.09 0.00 0.00 178.44 180.92 1mfq s ASN 73 N -6.45 4.53 0.00 0.11 2.47 -1.26 -4.99 114.94 109.34 1mfq s ASN 73 Ca -0.09 2.02 0.00 0.00 0.42 0.00 0.00 52.86 55.21 1mfq s ASN 73 Cb 0.18 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1mfq s ASN 73 CO 0.75 -2.03 0.21 -1.14 -3.72 0.00 0.00 177.10 171.18 1mfq n ARG 74 N -3.02 1.58 -0.34 0.43 0.63 -1.26 -4.99 116.66 109.69 1mfq n ARG 74 Ca 0.11 -0.21 -0.12 0.00 -0.92 0.00 0.00 57.85 56.71 1mfq n ARG 74 Cb 0.52 -0.65 0.11 0.00 0.45 0.00 0.00 32.46 32.89 1mfq n ARG 74 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1mfq n ASP 75 N -0.29 -2.60 -0.08 6.15 -0.08 -1.26 -4.90 116.55 113.50 1mfq n ASP 75 Ca 0.00 -0.34 -0.10 0.00 -1.51 0.00 0.00 54.79 52.84 1mfq n ASP 75 Cb 0.04 -0.56 -0.04 0.00 2.34 0.00 0.00 41.12 42.90 1mfq n ASP 75 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1mfq n VAL 76 N -3.97 1.46 0.18 5.18 3.14 -1.26 -3.84 118.33 119.21 1mfq n VAL 76 Ca 0.05 0.13 0.11 0.00 -2.96 0.00 0.00 64.34 61.67 1mfq n VAL 76 Cb 0.23 -2.29 0.30 0.00 -1.06 0.00 0.00 33.84 31.02 1mfq n VAL 76 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1mfq h GLN 77 N -1.00 0.00 -0.02 1.45 4.15 -2.00 1.09 115.11 118.78 1mfq h GLN 77 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1mfq h GLN 77 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1mfq h GLN 77 CO -0.07 0.00 -0.18 0.66 -1.93 0.00 0.00 178.83 177.32 1mfq n TYR 78 N -2.83 0.00 -4.42 3.99 4.02 -1.26 -4.69 117.16 111.97 1mfq n TYR 78 Ca 0.06 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.75 1mfq n TYR 78 Cb 1.00 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.22 1mfq n TYR 78 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1mfq s ARG 79 N -2.18 1.59 0.00 -0.72 1.70 0.38 -4.88 118.95 114.84 1mfq s ARG 79 Ca 0.24 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 1mfq s ARG 79 Cb 0.19 -0.73 0.00 0.00 -0.57 0.00 0.00 34.95 33.84 1mfq s ARG 79 CO 0.40 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.82 1mfq n GLY 80 N -0.63 2.68 3.11 3.88 0.00 0.03 -4.60 105.19 109.64 1mfq n GLY 80 Ca -0.02 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1mfq n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mfq s ARG 81 N -2.24 0.55 -0.04 1.61 3.52 -0.82 -4.58 118.95 116.95 1mfq s ARG 81 Ca 0.00 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1mfq s ARG 81 Cb 0.00 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1mfq s ARG 81 CO 0.00 -0.13 -0.15 0.08 -0.81 0.00 0.00 175.30 174.28 1mfq s VAL 82 N -2.33 1.31 -0.19 7.11 1.01 -0.91 0.73 120.40 127.13 1mfq s VAL 82 Ca -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1mfq s VAL 82 Cb -0.03 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1mfq s VAL 82 CO -0.03 0.38 -0.14 -0.13 0.00 0.00 0.00 175.10 175.18 1mfq s ARG 83 N 0.14 3.14 -0.02 2.72 0.52 -0.16 -1.48 118.95 123.82 1mfq s ARG 83 Ca -0.05 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 1mfq s ARG 83 Cb -0.12 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 1mfq s ARG 83 CO 0.02 -0.18 -0.23 0.14 0.02 0.00 0.00 175.30 175.07 1mfq s VAL 84 N 1.30 1.85 -0.24 3.52 -7.23 -1.12 -0.83 120.40 117.65 1mfq s VAL 84 Ca 0.04 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.96 1mfq s VAL 84 Cb -0.14 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 1mfq s VAL 84 CO -0.08 0.52 0.84 -1.58 -0.31 0.00 0.00 175.10 174.48 1mfq s GLN 85 N -0.55 4.19 0.00 4.82 0.74 0.54 -1.00 119.66 128.39 1mfq s GLN 85 Ca 0.09 0.96 0.00 0.00 0.05 0.00 0.00 55.36 56.46 1mfq s GLN 85 Cb -0.09 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1mfq s GLN 85 CO -0.01 -0.52 0.00 1.28 -0.55 0.00 0.00 175.29 175.49 1mfq n LEU 86 N 6.01 0.50 -4.91 3.68 4.77 -1.26 -4.45 117.00 121.34 1mfq n LEU 86 Ca 0.06 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1mfq n LEU 86 Cb 0.47 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1mfq n LEU 86 CO 0.47 -0.26 0.77 -0.54 -1.33 0.00 0.00 177.39 176.51 1mfq s LYS 87 N -0.52 1.91 0.12 3.23 1.02 -1.26 0.12 119.74 124.36 1mfq s LYS 87 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.09 1mfq s LYS 87 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1mfq s LYS 87 CO 0.00 -1.61 -0.08 -0.65 -0.92 0.00 0.00 175.35 172.10 1mfq s GLN 88 N -5.56 2.19 0.36 1.68 -0.21 0.10 -4.69 119.66 113.53 1mfq s GLN 88 Ca 0.63 -1.05 0.27 0.00 0.02 0.00 0.00 55.36 55.22 1mfq s GLN 88 Cb -0.11 -2.31 1.20 0.00 1.00 0.00 0.00 33.01 32.79 1mfq s GLN 88 CO 0.49 0.49 1.24 -1.91 -2.12 0.00 0.00 175.29 173.48 1mfq n GLU 89 N 0.49 -0.03 0.02 2.91 4.07 -1.26 0.26 120.64 127.11 1mfq n GLU 89 Ca -0.12 0.98 -0.14 0.00 -0.06 0.00 0.00 57.16 57.82 1mfq n GLU 89 Cb 0.53 -1.96 -0.03 0.00 -0.06 0.00 0.00 31.44 29.92 1mfq n GLU 89 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1mfq h ASP 90 N 0.00 0.73 0.00 4.31 3.04 -2.04 -3.48 116.42 118.98 1mfq h ASP 90 Ca 0.70 -0.50 0.00 0.00 -3.24 0.00 0.00 57.03 54.00 1mfq h ASP 90 Cb 2.31 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 40.38 1mfq h ASP 90 CO -0.34 1.27 0.00 0.61 -2.04 0.00 0.00 179.24 178.74 1mfq n GLY 91 N 0.70 1.41 3.77 7.15 0.00 0.74 -5.13 105.19 113.84 1mfq n GLY 91 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1mfq n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mfq s SER 92 N -0.01 6.35 0.53 1.61 0.01 -1.26 -4.38 113.70 116.56 1mfq s SER 92 Ca 0.00 3.03 -0.21 0.00 1.31 0.00 0.00 55.95 60.08 1mfq s SER 92 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1mfq s SER 92 CO 0.00 -0.88 1.22 -0.76 0.41 0.00 0.00 173.24 173.23 1mfq s LEU 93 N -1.80 3.83 0.17 2.44 1.43 -1.26 -0.72 118.68 122.76 1mfq s LEU 93 Ca 0.55 2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 56.00 1mfq s LEU 93 Cb -0.47 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.39 1mfq s LEU 93 CO 0.60 -1.34 1.51 0.00 0.23 0.00 0.00 176.35 177.36 1mfq s LEU 95 N -8.73 0.55 0.32 0.00 1.43 -1.26 -5.03 118.68 105.95 1mfq s LEU 95 Ca -0.10 -0.81 0.22 0.00 -1.03 0.00 0.00 54.13 52.41 1mfq s LEU 95 Cb 0.11 -0.33 1.12 0.00 0.03 0.00 0.00 46.19 47.13 1mfq s LEU 95 CO 0.86 -0.36 1.24 1.33 0.23 0.00 0.00 176.35 179.64 1mfq n VAL 96 N 5.23 -0.26 1.56 -1.59 0.24 -1.26 0.12 118.33 122.38 1mfq n VAL 96 Ca -0.07 1.50 0.11 0.00 -2.04 0.00 0.00 64.34 63.84 1mfq n VAL 96 Cb 0.47 -2.45 0.64 0.00 -1.47 0.00 0.00 33.84 31.03 1mfq n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mfq n GLN 97 N -4.50 0.78 -3.49 7.34 10.64 -1.26 -4.21 117.38 122.68 1mfq n GLN 97 Ca 0.31 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.21 1mfq n GLN 97 Cb 1.14 -1.43 -0.10 0.00 -0.86 0.00 0.00 30.24 28.99 1mfq n GLN 97 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1mfq n PHE 98 N -0.93 1.13 0.00 2.61 3.72 0.33 -4.95 117.46 119.37 1mfq n PHE 98 Ca 0.16 -3.78 0.00 0.00 -0.05 0.00 0.00 57.45 53.78 1mfq n PHE 98 Cb 0.07 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1mfq n PHE 98 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1mfq n PRO 99 N 1.95 0.00 -0.47 -1.08 -0.02 -1.26 -4.73 135.00 129.38 1mfq n PRO 99 Ca 0.25 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 1mfq n PRO 99 Cb 0.44 -0.67 0.09 0.00 -0.02 0.00 0.00 33.50 33.34 1mfq n PRO 99 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mfq n SER 100 N -0.40 -1.14 0.01 2.55 3.41 -1.26 -4.95 113.62 111.85 1mfq n SER 100 Ca 0.00 -0.84 -0.22 0.00 -0.26 0.00 0.00 58.87 57.55 1mfq n SER 100 Cb 0.00 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.42 1mfq n SER 100 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1mfq h ARG 101 N 0.00 0.25 -0.93 4.33 3.08 -2.01 -3.33 114.38 115.77 1mfq h ARG 101 Ca -0.16 -0.43 0.28 0.00 0.07 0.00 0.00 59.98 59.74 1mfq h ARG 101 Cb 0.48 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.54 1mfq h ARG 101 CO 0.11 1.20 0.31 -0.22 -1.07 0.00 0.00 179.97 180.30 1mfq h LYS 102 N -0.26 0.19 -0.60 0.04 1.63 -1.99 0.47 116.57 116.05 1mfq h LYS 102 Ca -0.32 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.56 1mfq h LYS 102 Cb 1.80 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 33.31 1mfq h LYS 102 CO 0.06 0.12 0.20 0.66 -3.45 0.00 0.00 179.45 177.05 1mfq h SER 103 N 0.19 0.17 -0.07 4.20 4.64 -1.95 -0.48 113.55 120.25 1mfq h SER 103 Ca 0.63 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.97 1mfq h SER 103 Cb 1.35 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1mfq h SER 103 CO -0.69 0.11 -0.21 0.58 -0.87 0.00 0.00 176.83 175.75 1mfq h VAL 104 N 0.37 1.42 -0.15 0.95 2.07 -0.31 -1.75 116.25 118.85 1mfq h VAL 104 Ca 0.30 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1mfq h VAL 104 Cb 0.39 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 1mfq h VAL 104 CO -0.32 0.44 -0.51 0.24 0.02 0.00 0.00 177.57 177.45 1mfq h MET 105 N -0.23 -0.50 -0.49 1.57 2.07 -0.61 0.97 114.93 117.70 1mfq h MET 105 Ca -0.01 0.03 0.10 0.00 -2.07 0.00 0.00 59.70 57.75 1mfq h MET 105 Cb 0.82 0.11 -0.08 0.00 -1.87 0.00 0.00 31.60 30.58 1mfq h MET 105 CO 0.04 -0.34 -0.01 -0.07 1.07 0.00 0.00 176.91 177.61 1mfq h LEU 106 N -0.52 -0.23 -1.46 1.22 3.38 -1.14 0.19 115.31 116.75 1mfq h LEU 106 Ca 0.03 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1mfq h LEU 106 Cb 0.62 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1mfq h LEU 106 CO -0.42 -0.08 0.48 0.22 0.09 0.00 0.00 178.44 178.73 1mfq h TYR 107 N 0.10 0.65 -0.03 1.13 3.20 -0.46 -1.17 116.97 120.40 1mfq h TYR 107 Ca 0.25 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1mfq h TYR 107 Cb 0.37 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1mfq h TYR 107 CO -0.32 0.31 -0.26 0.00 -1.64 0.00 0.00 178.16 176.25 1mfq h ALA 108 N 1.63 0.07 -0.73 1.82 0.00 0.15 -2.62 119.26 119.59 1mfq h ALA 108 Ca 0.33 -0.44 0.18 0.00 0.00 0.00 0.00 54.91 54.98 1mfq h ALA 108 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1mfq h ALA 108 CO -0.12 0.10 0.50 0.00 0.00 0.00 0.00 179.25 179.74 1mfq h ALA 109 N 0.34 2.38 0.10 0.00 0.00 -0.07 -1.75 119.26 120.27 1mfq h ALA 109 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1mfq h ALA 109 Cb 0.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1mfq h ALA 109 CO 0.05 -0.59 -1.35 0.93 0.00 0.00 0.00 179.25 178.29 1mfq h GLU 110 N 0.21 0.22 0.00 0.00 5.08 -1.18 -3.38 114.58 115.52 1mfq h GLU 110 Ca 0.36 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1mfq h GLU 110 Cb 1.11 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1mfq h GLU 110 CO -0.07 1.11 -0.69 0.52 -1.00 0.00 0.00 179.01 178.88 1mfq h MET 111 N 0.06 0.00 -0.39 2.33 2.86 -0.95 -3.37 114.93 115.46 1mfq h MET 111 Ca -0.17 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1mfq h MET 111 Cb 1.97 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.61 1mfq h MET 111 CO 0.17 0.06 -0.01 0.82 1.06 0.00 0.00 176.91 179.01 1mfq h ILE 112 N 0.00 1.26 0.00 -1.22 2.04 -1.55 -2.38 117.51 115.66 1mfq h ILE 112 Ca -0.02 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1mfq h ILE 112 Cb 1.08 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1mfq h ILE 112 CO 0.01 0.34 0.00 -2.65 0.00 0.00 0.00 178.15 175.85 1mfq n PRO 113 N -4.45 0.21 -0.01 2.37 -0.02 -1.26 -0.88 135.00 130.97 1mfq n PRO 113 Ca -0.01 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.48 1mfq n PRO 113 Cb 0.29 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 1mfq n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mfq n LYS 114 N -0.34 1.01 -1.64 -0.52 5.02 -0.90 -4.73 118.16 116.05 1mfq n LYS 114 Ca 0.00 -0.03 -0.55 0.00 -2.02 0.00 0.00 58.31 55.72 1mfq n LYS 114 Cb 0.01 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1mfq n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mfq n LEU 115 N -1.78 1.94 -0.31 -0.35 4.77 -0.05 -4.68 117.00 116.53 1mfq n LEU 115 Ca -0.02 1.10 0.14 0.00 -0.03 0.00 0.00 56.01 57.20 1mfq n LEU 115 Cb 0.25 -1.16 0.29 0.00 -2.33 0.00 0.00 43.42 40.47 1mfq n LEU 115 CO 0.08 -0.79 0.87 0.07 -1.33 0.00 0.00 177.39 176.29 1mfq h LYS 116 N 5.69 0.08 0.00 3.23 -0.00 -1.95 1.01 116.57 124.64 1mfq h LYS 116 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1mfq h LYS 116 Cb 1.33 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 1mfq h LYS 116 CO 0.86 0.06 0.16 0.25 -0.00 0.00 0.00 179.45 180.77 1mfq n THR 117 N -5.37 1.11 -0.04 0.07 -2.24 -1.26 -1.04 114.28 105.51 1mfq n THR 117 Ca 0.22 0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 62.60 1mfq n THR 117 Cb 0.73 -1.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.25 1mfq n THR 117 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mfq n ARG 118 N -1.79 2.00 0.17 -0.78 1.74 0.35 -4.47 116.66 113.88 1mfq n ARG 118 Ca -0.01 -0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.11 1mfq n ARG 118 Cb 0.17 -1.27 0.16 0.00 -1.02 0.00 0.00 32.46 30.50 1mfq n ARG 118 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1mfq h THR 119 N 0.00 0.64 0.00 0.55 1.35 -0.82 -3.50 112.91 111.13 1mfq h THR 119 Ca -0.24 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1mfq h THR 119 Cb 1.47 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1mfq h THR 119 CO 0.01 0.34 0.00 0.00 -0.25 0.00 0.00 175.52 175.62