#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfx h HIS 19 N 0.00 0.00 0.09 4.31 2.07 -2.01 -0.62 115.15 119.00 3mfx h HIS 19 Ca 0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 3mfx h HIS 19 Cb 0.00 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 3mfx h HIS 19 CO 0.00 0.00 -1.20 1.03 -3.07 0.00 0.00 177.93 174.69 3mfx h SER 20 N 0.00 0.83 0.11 3.10 0.87 -2.06 -3.18 113.55 113.22 3mfx h SER 20 Ca 0.10 -0.74 -0.10 0.00 -1.23 0.00 0.00 61.79 59.82 3mfx h SER 20 Cb 0.49 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3mfx h SER 20 CO -0.00 1.55 -0.33 0.28 -0.53 0.00 0.00 176.83 177.80 3mfx h SER 21 N 0.28 0.32 -0.09 6.23 0.02 -1.68 -2.90 113.55 115.74 3mfx h SER 21 Ca -0.17 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3mfx h SER 21 Cb 1.86 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 3mfx h SER 21 CO 0.23 0.64 -0.04 0.25 -1.14 0.00 0.00 176.83 176.76 3mfx h LEU 22 N 0.28 -0.14 -0.74 5.07 7.12 -1.19 0.09 115.31 125.79 3mfx h LEU 22 Ca 0.04 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.12 3mfx h LEU 22 Cb 0.72 0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.88 3mfx h LEU 22 CO 0.05 -0.06 0.46 -0.33 -0.13 0.00 0.00 178.44 178.44 3mfx h GLU 23 N -0.03 0.87 -0.16 1.25 5.08 -1.50 0.23 114.58 120.32 3mfx h GLU 23 Ca 0.05 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3mfx h GLU 23 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3mfx h GLU 23 CO -0.11 0.57 0.05 1.15 -1.00 0.00 0.00 179.01 179.67 3mfx h THR 24 N 0.89 0.95 -0.44 1.13 2.02 -1.18 -0.87 112.91 115.41 3mfx h THR 24 Ca 0.31 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 3mfx h THR 24 Cb 0.05 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3mfx h THR 24 CO -0.13 0.02 0.16 0.40 0.37 0.00 0.00 175.52 176.34 3mfx h ILE 25 N 0.12 1.21 -0.55 3.11 1.08 -0.41 -0.90 117.51 121.17 3mfx h ILE 25 Ca 0.07 -0.67 0.04 0.00 -0.39 0.00 0.00 64.86 63.90 3mfx h ILE 25 Cb 0.05 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3mfx h ILE 25 CO -0.08 0.24 0.31 -0.33 -0.69 0.00 0.00 178.15 177.61 3mfx h GLU 26 N 0.57 0.59 -0.50 2.37 5.08 -0.30 -0.32 114.58 122.06 3mfx h GLU 26 Ca 0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3mfx h GLU 26 Cb 0.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3mfx h GLU 26 CO -0.01 0.39 0.14 -0.07 -1.00 0.00 0.00 179.01 178.46 3mfx h LEU 27 N 0.61 0.75 -0.33 1.33 3.38 -0.93 -3.01 115.31 117.10 3mfx h LEU 27 Ca 0.23 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3mfx h LEU 27 Cb 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3mfx h LEU 27 CO -0.13 0.77 -0.00 0.15 0.09 0.00 0.00 178.44 179.31 3mfx h PHE 28 N 0.69 -0.02 -0.34 1.13 3.57 -0.54 -1.86 116.94 119.56 3mfx h PHE 28 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3mfx h PHE 28 Cb 0.30 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3mfx h PHE 28 CO 0.02 -0.06 0.23 0.82 -2.23 0.00 0.00 178.31 177.09 3mfx h ILE 29 N 0.09 1.00 -0.62 1.41 2.04 -0.99 -2.02 117.51 118.41 3mfx h ILE 29 Ca 0.16 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3mfx h ILE 29 Cb 0.22 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3mfx h ILE 29 CO -0.27 0.06 0.41 1.56 0.00 0.00 0.00 178.15 179.91 3mfx h GLN 30 N 0.32 0.54 0.00 2.37 1.08 -1.20 -1.88 115.11 116.34 3mfx h GLN 30 Ca 0.14 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 3mfx h GLN 30 Cb 0.18 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3mfx h GLN 30 CO -0.03 0.36 -0.15 0.45 -0.95 0.00 0.00 178.83 178.51 3mfx h HIS 31 N 0.56 0.00 -3.06 2.96 3.86 -1.40 -3.45 115.15 114.61 3mfx h HIS 31 Ca 0.27 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.96 3mfx h HIS 31 Cb 0.36 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.85 3mfx h HIS 31 CO -0.00 0.14 0.70 -0.51 0.86 0.00 0.00 177.93 179.12 3mfx s LEU 32 N -6.27 4.38 -0.02 2.43 1.43 -0.71 -4.89 118.68 115.02 3mfx s LEU 32 Ca 0.06 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3mfx s LEU 32 Cb 0.06 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.73 3mfx s LEU 32 CO 0.69 -0.62 0.91 0.35 0.23 0.00 0.00 176.35 177.91 3mfx n THR 33 N 3.78 0.84 -4.97 5.49 -2.24 -1.26 -4.75 114.28 111.17 3mfx n THR 33 Ca 0.11 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3mfx n THR 33 Cb 0.43 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 3mfx n THR 33 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mfx s GLU 34 N -0.48 2.24 0.42 -0.78 0.41 -1.26 -5.05 118.70 114.20 3mfx s GLU 34 Ca 0.03 -0.86 -0.22 0.00 -0.41 0.00 0.00 54.97 53.51 3mfx s GLU 34 Cb 0.03 -2.21 -0.10 0.00 -1.78 0.00 0.00 34.13 30.07 3mfx s GLU 34 CO 0.01 0.58 1.00 0.00 -0.49 0.00 0.00 175.26 176.35 3mfx s ALA 35 N -0.74 3.03 -0.00 5.21 0.00 -1.26 -4.71 121.76 123.29 3mfx s ALA 35 Ca 0.12 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 3mfx s ALA 35 Cb -0.10 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3mfx s ALA 35 CO 0.01 -0.07 0.74 0.96 0.00 0.00 0.00 175.76 177.41 3mfx s ILE 37 N -1.91 0.00 -0.19 0.00 -4.36 -1.26 -4.34 121.20 109.14 3mfx s ILE 37 Ca 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 60.65 60.95 3mfx s ILE 37 Cb -0.16 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3mfx s ILE 37 CO 0.20 0.00 -0.01 -0.22 0.24 0.00 0.00 174.94 175.15 3mfx s LEU 38 N -1.80 3.27 -0.02 0.37 2.96 0.68 -4.43 118.68 119.71 3mfx s LEU 38 Ca -0.04 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3mfx s LEU 38 Cb -0.00 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3mfx s LEU 38 CO -0.01 0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.24 3mfx s VAL 39 N 0.81 1.50 0.85 1.68 1.01 0.45 0.23 120.40 126.94 3mfx s VAL 39 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3mfx s VAL 39 Cb -0.14 -1.26 0.14 0.00 0.00 0.00 0.00 36.38 35.12 3mfx s VAL 39 CO 0.02 0.43 1.20 0.54 0.00 0.00 0.00 175.10 177.28 3mfx s ASN 40 N -0.36 3.85 0.39 3.32 6.03 -0.57 0.10 114.94 127.70 3mfx s ASN 40 Ca 0.05 0.31 0.14 0.00 -1.03 0.00 0.00 52.86 52.33 3mfx s ASN 40 Cb -0.08 -0.59 0.97 0.00 -3.03 0.00 0.00 41.25 38.52 3mfx s ASN 40 CO -0.00 -2.26 1.86 0.00 -2.03 0.00 0.00 177.10 174.68 3mfx h ALA 41 N -1.20 2.04 0.00 3.54 0.00 -1.86 0.12 119.26 121.91 3mfx h ALA 41 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mfx h ALA 41 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mfx h ALA 41 CO 0.48 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3mfx n ASN 42 N -4.54 0.00 0.00 0.00 3.02 -1.26 -4.41 115.26 108.07 3mfx n ASN 42 Ca 0.18 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3mfx n ASN 42 Cb 0.59 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3mfx n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mfx n GLY 43 N 0.66 0.64 3.85 7.41 0.00 0.44 -5.01 105.19 113.18 3mfx n GLY 43 Ca 0.17 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3mfx n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfx s PHE 44 N -2.00 3.58 0.01 1.61 0.40 -1.26 -1.37 117.98 118.96 3mfx s PHE 44 Ca 0.00 0.54 -0.30 0.00 -0.60 0.00 0.00 56.93 56.57 3mfx s PHE 44 Cb 0.00 -2.00 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 3mfx s PHE 44 CO 0.00 0.66 1.62 0.42 0.70 0.00 0.00 175.22 178.62 3mfx s ILE 45 N -0.82 3.37 -0.21 0.64 1.01 0.27 -1.52 121.20 123.94 3mfx s ILE 45 Ca 0.15 0.67 0.14 0.00 0.00 0.00 0.00 60.65 61.60 3mfx s ILE 45 Cb -0.12 -3.43 -0.23 0.00 0.01 0.00 0.00 42.46 38.69 3mfx s ILE 45 CO 0.04 -0.03 0.03 -1.14 0.00 0.00 0.00 174.94 173.85 3mfx n ARG 46 N 6.20 0.68 -3.68 2.79 0.63 0.14 -0.01 116.66 123.41 3mfx n ARG 46 Ca 0.16 0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 57.02 3mfx n ARG 46 Cb 0.42 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.74 3mfx n ARG 46 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3mfx s SER 47 N -5.77 -0.19 0.31 6.15 0.15 -1.12 -4.87 113.70 108.37 3mfx s SER 47 Ca -0.16 -0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.05 3mfx s SER 47 Cb 0.07 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 3mfx s SER 47 CO 0.78 -0.76 0.82 0.00 1.20 0.00 0.00 173.24 175.28 3mfx s ASN 49 N -3.07 3.14 0.42 0.00 2.20 -1.26 -4.79 114.94 111.58 3mfx s ASN 49 Ca 0.15 -1.50 0.08 0.00 -0.94 0.00 0.00 52.86 50.65 3mfx s ASN 49 Cb -0.05 0.11 0.91 0.00 -2.00 0.00 0.00 41.25 40.22 3mfx s ASN 49 CO 0.09 -0.70 2.06 -0.61 -2.94 0.00 0.00 177.10 175.00 3mfx h GLN 50 N 1.81 0.49 -0.50 3.55 5.75 -1.91 -1.69 115.11 122.60 3mfx h GLN 50 Ca -0.41 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 3mfx h GLN 50 Cb 1.26 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 3mfx h GLN 50 CO 0.70 0.32 0.17 0.00 -2.65 0.00 0.00 178.83 177.37 3mfx h ARG 51 N 0.50 0.77 -0.20 1.69 2.47 -1.88 -1.14 114.38 116.59 3mfx h ARG 51 Ca 0.15 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 3mfx h ARG 51 Cb -0.00 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 3mfx h ARG 51 CO -0.03 0.71 -0.33 0.66 0.56 0.00 0.00 179.97 181.54 3mfx h SER 52 N 0.68 0.42 -0.57 7.04 4.64 -1.67 0.79 113.55 124.88 3mfx h SER 52 Ca 0.16 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3mfx h SER 52 Cb 0.25 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3mfx h SER 52 CO -0.01 0.73 0.23 0.00 -0.87 0.00 0.00 176.83 176.91 3mfx h ALA 53 N 1.30 0.74 -0.20 5.18 0.00 -0.98 0.22 119.26 125.52 3mfx h ALA 53 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3mfx h ALA 53 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mfx h ALA 53 CO 0.06 0.36 -0.23 0.93 0.00 0.00 0.00 179.25 180.37 3mfx h GLU 54 N 0.79 0.51 0.14 0.00 5.08 -0.89 0.12 114.58 120.33 3mfx h GLU 54 Ca 0.19 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3mfx h GLU 54 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mfx h GLU 54 CO -0.02 0.87 -0.07 1.25 -1.00 0.00 0.00 179.01 180.04 3mfx h LEU 55 N 0.19 -0.16 0.00 1.33 5.85 -0.64 -2.07 115.31 119.81 3mfx h LEU 55 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3mfx h LEU 55 Cb 0.78 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3mfx h LEU 55 CO 0.06 -0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.23 3mfx n LEU 56 N -5.17 0.00 -3.65 2.25 4.32 0.76 -4.92 117.00 110.60 3mfx n LEU 56 Ca -0.08 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.68 3mfx n LEU 56 Cb 0.10 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.94 3mfx n LEU 56 CO 0.34 0.00 -0.06 -0.67 -1.22 0.00 0.00 177.39 175.78 3mfx n ASP 57 N -0.99 -2.57 -3.64 -1.43 4.64 -0.07 -4.65 116.55 107.84 3mfx n ASP 57 Ca 0.21 -0.85 -0.10 0.00 -1.38 0.00 0.00 54.79 52.67 3mfx n ASP 57 Cb 0.10 -4.02 -0.07 0.00 -1.04 0.00 0.00 41.12 36.08 3mfx n ASP 57 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mfx s PRO 59 N 1.00 3.02 0.30 0.00 0.04 -1.26 -4.30 135.00 133.80 3mfx s PRO 59 Ca -0.05 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.17 3mfx s PRO 59 Cb -0.05 -2.14 0.63 0.00 0.04 0.00 0.00 34.50 32.98 3mfx s PRO 59 CO -0.10 -1.26 1.85 1.96 0.04 0.00 0.00 177.00 179.50 3mfx h GLN 60 N 1.23 0.88 -0.30 4.56 4.20 -1.92 -0.05 115.11 123.71 3mfx h GLN 60 Ca -0.51 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 3mfx h GLN 60 Cb 1.31 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3mfx h GLN 60 CO 0.56 0.58 0.13 -0.24 -0.67 0.00 0.00 178.83 179.20 3mfx h VAL 61 N 0.91 1.11 0.00 -0.54 3.04 -1.94 -2.40 116.25 116.43 3mfx h VAL 61 Ca 0.48 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 3mfx h VAL 61 Cb 0.54 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3mfx h VAL 61 CO -0.24 0.13 -1.01 -1.20 -1.01 0.00 0.00 177.57 174.24 3mfx n SER 62 N -4.43 0.62 0.07 3.17 7.64 -0.63 -4.23 113.62 115.83 3mfx n SER 62 Ca 0.01 -0.26 -0.21 0.00 1.01 0.00 0.00 58.87 59.42 3mfx n SER 62 Cb 0.12 0.80 -0.14 0.00 -1.01 0.00 0.00 64.21 63.98 3mfx n SER 62 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3mfx h LEU 63 N 0.00 0.60 -9.88 -3.43 5.85 -0.56 -3.42 115.31 104.46 3mfx h LEU 63 Ca 0.00 -0.91 -0.53 0.00 0.84 0.00 0.00 57.88 57.29 3mfx h LEU 63 Cb 0.70 -0.19 0.07 0.00 0.37 0.00 0.00 40.66 41.61 3mfx h LEU 63 CO 0.00 1.45 0.66 -1.59 -0.34 0.00 0.00 178.44 178.63 3mfx s LYS 64 N -2.63 4.32 0.00 1.25 0.00 -0.99 -2.16 119.74 119.53 3mfx s LYS 64 Ca -0.12 2.27 0.00 0.00 0.00 0.00 0.00 55.97 58.12 3mfx s LYS 64 Cb 0.02 -3.06 0.00 0.00 0.00 0.00 0.00 37.83 34.79 3mfx s LYS 64 CO 0.86 -0.24 0.00 0.41 0.00 0.00 0.00 175.35 176.38 3mfx n GLY 65 N 0.80 3.33 3.82 0.59 0.00 0.99 -4.97 105.19 109.75 3mfx n GLY 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3mfx n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfx s GLN 66 N -0.88 4.15 -0.10 1.61 -0.21 -0.92 -4.64 119.66 118.67 3mfx s GLN 66 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 3mfx s GLN 66 Cb 0.00 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 3mfx s GLN 66 CO 0.00 -0.10 1.15 0.34 -2.12 0.00 0.00 175.29 174.56 3mfx s ASP 67 N -2.33 7.08 0.57 5.90 3.68 -1.26 -0.57 116.67 129.74 3mfx s ASP 67 Ca 0.62 1.69 0.31 0.00 2.13 0.00 0.00 52.55 57.30 3mfx s ASP 67 Cb -0.10 -2.55 1.70 0.00 -1.45 0.00 0.00 42.92 40.52 3mfx s ASP 67 CO 0.17 -0.59 2.17 4.11 0.13 0.00 0.00 175.17 181.15 3mfx h TRP 68 N 7.51 0.00 0.00 -5.34 5.08 -1.58 -0.38 115.95 121.24 3mfx h TRP 68 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 3mfx h TRP 68 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3mfx h TRP 68 CO 0.74 0.06 0.04 -0.09 -1.28 0.00 0.00 178.44 177.91 3mfx h ARG 69 N 0.00 0.00 0.00 0.12 2.43 -1.90 -1.40 114.38 113.63 3mfx h ARG 69 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3mfx h ARG 69 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3mfx h ARG 69 CO 0.01 0.00 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.50 3mfx h ASN 70 N 0.00 0.00 -0.18 -3.80 -0.26 -1.45 -2.25 115.58 107.63 3mfx h ASN 70 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3mfx h ASN 70 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 3mfx h ASN 70 CO 0.00 0.06 0.00 0.49 -1.06 0.00 0.00 177.43 176.92 3mfx n PHE 71 N -3.73 0.22 -3.90 1.19 3.72 -0.53 -4.82 117.46 109.62 3mfx n PHE 71 Ca -0.02 -0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 57.02 3mfx n PHE 71 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3mfx n PHE 71 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3mfx s LEU 72 N -1.71 4.30 0.76 4.37 1.02 -0.85 0.64 118.68 127.21 3mfx s LEU 72 Ca 0.34 0.16 -0.11 0.00 0.02 0.00 0.00 54.13 54.55 3mfx s LEU 72 Cb 0.20 -2.93 0.05 0.00 0.02 0.00 0.00 46.19 43.52 3mfx s LEU 72 CO 0.30 -0.03 1.08 0.28 0.02 0.00 0.00 176.35 178.00 3mfx s THR 73 N -1.89 3.52 0.31 5.49 -1.32 -1.25 -4.73 115.64 115.78 3mfx s THR 73 Ca 0.35 0.49 0.03 0.00 -1.21 0.00 0.00 61.69 61.35 3mfx s THR 73 Cb -0.10 -3.11 0.29 0.00 -1.51 0.00 0.00 72.50 68.07 3mfx s THR 73 CO 0.29 -0.65 1.89 -0.33 -2.21 0.00 0.00 174.62 173.62 3mfx h GLU 74 N -1.00 0.90 0.50 7.08 5.08 -1.96 -0.44 114.58 124.75 3mfx h GLU 74 Ca -0.45 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3mfx h GLU 74 Cb 1.23 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3mfx h GLU 74 CO 0.55 0.60 -0.24 0.45 -1.00 0.00 0.00 179.01 179.36 3mfx h HIS 75 N 0.93 -0.63 0.00 4.33 3.86 -2.01 -2.89 115.15 118.74 3mfx h HIS 75 Ca 0.42 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3mfx h HIS 75 Cb 0.38 0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 3mfx h HIS 75 CO -0.00 -0.32 -0.01 0.45 0.86 0.00 0.00 177.93 178.91 3mfx h HIS 76 N -0.87 0.00 0.13 2.45 3.86 -1.87 -2.64 115.15 116.20 3mfx h HIS 76 Ca -0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3mfx h HIS 76 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3mfx h HIS 76 CO -0.00 0.01 -0.06 1.96 0.86 0.00 0.00 177.93 180.70 3mfx h GLN 77 N 0.00 -0.16 0.00 2.45 4.20 -0.86 -2.38 115.11 118.35 3mfx h GLN 77 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3mfx h GLN 77 Cb 0.17 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mfx h GLN 77 CO 0.00 -0.01 -0.10 0.00 -0.67 0.00 0.00 178.83 178.06 3mfx h ALA 78 N 0.57 1.72 -0.20 3.87 0.00 -1.43 -0.85 119.26 122.94 3mfx h ALA 78 Ca -0.02 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3mfx h ALA 78 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3mfx h ALA 78 CO 0.03 0.12 0.15 -0.09 0.00 0.00 0.00 179.25 179.46 3mfx h ARG 79 N 0.00 0.00 -1.34 0.00 9.65 -1.32 -2.95 114.38 118.43 3mfx h ARG 79 Ca -0.00 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.30 3mfx h ARG 79 Cb 0.19 0.00 -0.42 0.00 -1.39 0.00 0.00 29.97 28.34 3mfx h ARG 79 CO 0.01 0.00 -0.76 0.66 2.80 0.00 0.00 179.97 182.68 3mfx n TYR 80 N -4.36 3.23 -0.16 2.20 4.02 -0.32 -4.59 117.16 117.17 3mfx n TYR 80 Ca 0.02 -2.92 -0.03 0.00 -0.01 0.00 0.00 57.90 54.96 3mfx n TYR 80 Cb 0.29 -0.14 0.04 0.00 -0.02 0.00 0.00 39.34 39.51 3mfx n TYR 80 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 3mfx h ASP 81 N 2.50 -0.45 -3.14 7.72 3.04 -1.55 -3.40 116.42 121.15 3mfx h ASP 81 Ca 0.31 0.15 -0.35 0.00 -3.24 0.00 0.00 57.03 53.89 3mfx h ASP 81 Cb 1.06 0.31 -0.38 0.00 -1.04 0.00 0.00 39.33 39.28 3mfx h ASP 81 CO 0.82 -0.16 -0.70 0.21 -2.04 0.00 0.00 179.24 177.37 3mfx s ASN 82 N -5.23 1.20 0.57 4.15 2.47 -1.26 -5.03 114.94 111.81 3mfx s ASN 82 Ca -0.14 0.05 0.27 0.00 0.42 0.00 0.00 52.86 53.46 3mfx s ASN 82 Cb 0.17 0.03 1.68 0.00 -1.45 0.00 0.00 41.25 41.68 3mfx s ASN 82 CO 0.72 -0.27 2.22 -0.07 -3.72 0.00 0.00 177.10 175.98 3mfx h LEU 83 N 8.40 0.00 -0.01 3.21 3.38 -1.78 -1.58 115.31 126.93 3mfx h LEU 83 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3mfx h LEU 83 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3mfx h LEU 83 CO 0.18 0.02 -0.21 0.18 0.09 0.00 0.00 178.44 178.70 3mfx n LEU 84 N -3.95 0.22 -3.58 1.67 7.99 -1.26 -0.88 117.00 117.20 3mfx n LEU 84 Ca -0.03 0.28 -0.28 0.00 -0.01 0.00 0.00 56.01 55.97 3mfx n LEU 84 Cb 0.10 -0.39 -0.16 0.00 -0.11 0.00 0.00 43.42 42.87 3mfx n LEU 84 CO 0.29 0.05 -0.33 -0.55 -1.51 0.00 0.00 177.39 175.34 3mfx s SER 85 N -2.98 3.10 0.78 -1.43 0.15 -0.60 -2.49 113.70 110.23 3mfx s SER 85 Ca 0.13 -1.04 -0.15 0.00 0.70 0.00 0.00 55.95 55.60 3mfx s SER 85 Cb 0.18 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 3mfx s SER 85 CO 0.60 -0.40 0.86 1.41 1.20 0.00 0.00 173.24 176.91 3mfx n HIS 86 N 5.23 0.23 0.00 3.44 8.25 0.49 -4.43 115.22 128.43 3mfx n HIS 86 Ca -0.06 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3mfx n HIS 86 Cb 0.45 -2.01 0.00 0.00 1.12 0.00 0.00 29.99 29.55 3mfx n HIS 86 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3mfx n ASP 87 N -1.79 0.00 0.00 0.41 3.85 -1.26 -4.63 116.55 113.13 3mfx n ASP 87 Ca 0.12 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.70 3mfx n ASP 87 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 3mfx n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mfx n GLY 95 N 1.46 0.00 3.56 6.12 0.00 -1.26 -5.19 105.19 109.87 3mfx n GLY 95 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3mfx n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfx s GLN 96 N 0.00 2.08 0.31 1.61 -0.21 -1.26 -4.74 119.66 117.45 3mfx s GLN 96 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.04 3mfx s GLN 96 Cb 0.00 -2.27 -0.11 0.00 1.00 0.00 0.00 33.01 31.62 3mfx s GLN 96 CO 0.00 0.51 1.57 -1.25 -2.12 0.00 0.00 175.29 173.99 3mfx s PRO 97 N -2.17 4.12 0.51 2.91 0.04 -1.04 0.18 135.00 139.56 3mfx s PRO 97 Ca 0.21 2.57 -0.22 0.00 0.04 0.00 0.00 61.00 63.59 3mfx s PRO 97 Cb -0.11 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 3mfx s PRO 97 CO 0.13 -0.61 1.25 0.14 0.04 0.00 0.00 177.00 177.95 3mfx s VAL 98 N -0.21 2.63 -0.30 -0.36 -7.23 -0.06 -4.78 120.40 110.09 3mfx s VAL 98 Ca 0.61 0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 61.04 3mfx s VAL 98 Cb -0.47 -3.23 0.20 0.00 0.56 0.00 0.00 36.38 33.43 3mfx s VAL 98 CO 0.51 -0.01 1.32 0.00 -0.31 0.00 0.00 175.10 176.60 3mfx s GLN 99 N -2.84 0.09 -0.11 4.82 -2.07 -1.26 -4.39 119.66 113.89 3mfx s GLN 99 Ca 0.68 0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 54.04 3mfx s GLN 99 Cb -0.34 0.03 0.11 0.00 -1.09 0.00 0.00 33.01 31.72 3mfx s GLN 99 CO 0.40 -0.01 0.89 -3.38 -1.32 0.00 0.00 175.29 171.86 3mfx s HIS 100 N 0.56 -0.46 0.96 9.60 -3.43 -0.26 -4.95 115.29 117.32 3mfx s HIS 100 Ca -0.01 0.76 -0.12 0.00 -0.80 0.00 0.00 55.06 54.90 3mfx s HIS 100 Cb -0.04 0.44 0.16 0.00 -1.43 0.00 0.00 32.58 31.72 3mfx s HIS 100 CO -0.13 -0.44 1.09 -1.25 -2.00 0.00 0.00 174.74 172.01 3mfx s PRO 101 N -1.27 0.77 0.25 -0.38 0.04 -1.26 -0.87 135.00 132.27 3mfx s PRO 101 Ca -0.04 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 3mfx s PRO 101 Cb -0.00 -1.76 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 3mfx s PRO 101 CO 0.04 -2.55 0.47 0.00 0.04 0.00 0.00 177.00 175.00 3mfx n ALA 102 N -4.08 -2.69 -3.58 8.56 0.00 -1.25 -4.57 120.51 112.90 3mfx n ALA 102 Ca 0.06 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 3mfx n ALA 102 Cb 0.56 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 3mfx n ALA 102 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3mfx s GLN 103 N -1.05 0.83 -0.17 0.00 -2.07 0.68 -4.88 119.66 113.01 3mfx s GLN 103 Ca 0.63 0.86 -0.38 0.00 -1.82 0.00 0.00 55.36 54.65 3mfx s GLN 103 Cb -0.85 0.40 -0.15 0.00 -1.09 0.00 0.00 33.01 31.32 3mfx s GLN 103 CO 0.58 -0.12 1.70 0.39 -1.32 0.00 0.00 175.29 176.51 3mfx n GLU 104 N 2.48 1.39 -3.85 9.60 1.02 -1.26 -1.36 120.64 128.67 3mfx n GLU 104 Ca -0.15 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 3mfx n GLU 104 Cb 0.55 -2.22 -0.11 0.00 -0.02 0.00 0.00 31.44 29.64 3mfx n GLU 104 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mfx s THR 105 N 3.06 0.05 -0.17 2.62 2.01 -0.57 -4.89 115.64 117.75 3mfx s THR 105 Ca 0.94 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.49 3mfx s THR 105 Cb -0.96 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3mfx s THR 105 CO 0.59 -0.22 0.01 -0.89 -0.69 0.00 0.00 174.62 173.42 3mfx s THR 106 N -0.75 4.31 0.08 -0.82 2.01 -1.26 -0.39 115.64 118.82 3mfx s THR 106 Ca -0.08 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.73 3mfx s THR 106 Cb -0.05 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3mfx s THR 106 CO 0.01 0.48 0.13 -0.76 -0.69 0.00 0.00 174.62 173.79 3mfx s LEU 107 N 0.35 4.01 -0.13 4.42 1.02 0.40 -3.76 118.68 124.99 3mfx s LEU 107 Ca -0.01 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.24 3mfx s LEU 107 Cb -0.13 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.44 3mfx s LEU 107 CO 0.02 0.17 -0.14 -0.63 0.02 0.00 0.00 176.35 175.78 3mfx s ILE 108 N -1.45 1.49 0.47 -0.59 -1.09 0.21 -1.03 121.20 119.20 3mfx s ILE 108 Ca 0.31 -0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 3mfx s ILE 108 Cb -0.12 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 3mfx s ILE 108 CO 0.24 0.44 0.79 0.00 -1.23 0.00 0.00 174.94 175.18 3mfx h ALA 110 N 0.44 2.20 0.00 0.00 0.00 -1.87 0.73 119.26 120.76 3mfx h ALA 110 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mfx h ALA 110 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3mfx h ALA 110 CO 0.62 -0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 3mfx n SER 111 N -4.03 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 106.86 3mfx n SER 111 Ca 0.07 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3mfx n SER 111 Cb 0.53 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3mfx n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfx n GLY 112 N 1.16 0.93 3.70 5.00 0.00 0.25 -5.03 105.19 111.20 3mfx n GLY 112 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3mfx n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mfx s LYS 113 N -0.61 4.26 -0.20 1.61 2.36 -1.25 -4.69 119.74 121.21 3mfx s LYS 113 Ca 0.00 2.13 -0.07 0.00 -2.55 0.00 0.00 55.97 55.48 3mfx s LYS 113 Cb 0.00 -3.47 -0.04 0.00 -1.05 0.00 0.00 37.83 33.27 3mfx s LYS 113 CO 0.00 -0.59 0.06 0.00 1.55 0.00 0.00 175.35 176.37 3mfx s ALA 114 N 2.08 3.32 -0.09 3.13 0.00 -1.26 -0.96 121.76 127.98 3mfx s ALA 114 Ca 0.68 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.80 3mfx s ALA 114 Cb -0.36 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 3mfx s ALA 114 CO 0.29 -0.03 -0.22 0.15 0.00 0.00 0.00 175.76 175.96 3mfx s LYS 115 N 0.76 2.95 -0.04 0.00 1.02 -0.20 -4.95 119.74 119.29 3mfx s LYS 115 Ca 0.03 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 3mfx s LYS 115 Cb -0.13 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 3mfx s LYS 115 CO 0.02 0.27 0.76 -0.51 -0.92 0.00 0.00 175.35 174.97 3mfx s ASP 116 N 0.15 7.09 0.31 2.83 1.01 -1.26 -0.45 116.67 126.35 3mfx s ASP 116 Ca -0.12 1.31 0.07 0.00 0.71 0.00 0.00 52.55 54.53 3mfx s ASP 116 Cb -0.16 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3mfx s ASP 116 CO 0.06 -0.13 0.25 1.33 0.21 0.00 0.00 175.17 176.89 3mfx n VAL 117 N 3.70 0.00 -4.00 -1.27 0.24 0.47 -1.94 118.33 115.52 3mfx n VAL 117 Ca 0.00 -2.26 -0.34 0.00 -2.04 0.00 0.00 64.34 59.71 3mfx n VAL 117 Cb 0.51 1.10 -0.15 0.00 -1.47 0.00 0.00 33.84 33.83 3mfx n VAL 117 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3mfx s GLU 118 N -3.28 2.81 -0.11 7.34 2.56 0.12 -1.51 118.70 126.63 3mfx s GLU 118 Ca 0.35 -0.98 -0.03 0.00 0.00 0.00 0.00 54.97 54.32 3mfx s GLU 118 Cb 0.02 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.22 3mfx s GLU 118 CO 0.25 -0.38 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.39 3mfx s LEU 119 N 1.30 3.45 0.11 2.70 2.96 -0.46 -0.48 118.68 128.26 3mfx s LEU 119 Ca 0.00 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3mfx s LEU 119 Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3mfx s LEU 119 CO -0.06 0.30 -0.18 -0.94 -1.32 0.00 0.00 176.35 174.15 3mfx s SER 120 N -0.41 2.30 -0.05 3.68 1.04 -0.91 -0.23 113.70 119.13 3mfx s SER 120 Ca 0.07 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3mfx s SER 120 Cb -0.12 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.89 3mfx s SER 120 CO 0.02 -0.01 -0.11 -0.63 0.98 0.00 0.00 173.24 173.49 3mfx s ILE 121 N -1.43 1.01 0.04 -1.02 1.01 -0.05 -2.55 121.20 118.21 3mfx s ILE 121 Ca 0.06 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.35 3mfx s ILE 121 Cb -0.09 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3mfx s ILE 121 CO 0.04 0.32 -0.23 -0.44 0.00 0.00 0.00 174.94 174.62 3mfx s SER 122 N 0.45 3.38 -0.17 3.58 0.01 -0.10 -1.10 113.70 119.75 3mfx s SER 122 Ca -0.09 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.61 3mfx s SER 122 Cb -0.13 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 3mfx s SER 122 CO 0.02 0.26 -0.04 -0.47 0.41 0.00 0.00 173.24 173.42 3mfx s TYR 123 N -0.83 2.99 -0.33 2.43 5.04 -1.26 -0.72 117.35 124.67 3mfx s TYR 123 Ca 0.13 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 3mfx s TYR 123 Cb -0.10 -1.99 0.09 0.00 0.35 0.00 0.00 41.96 40.31 3mfx s TYR 123 CO 0.03 -0.16 0.03 0.42 -1.34 0.00 0.00 175.55 174.53 3mfx s ILE 124 N 0.63 2.22 0.81 3.14 1.01 -1.26 -5.02 121.20 122.73 3mfx s ILE 124 Ca -0.03 -2.23 -0.11 0.00 0.00 0.00 0.00 60.65 58.28 3mfx s ILE 124 Cb -0.14 -2.60 0.08 0.00 0.01 0.00 0.00 42.46 39.81 3mfx s ILE 124 CO 0.02 -0.53 1.12 -2.16 0.00 0.00 0.00 174.94 173.40 3mfx s PRO 125 N 0.95 1.81 0.00 2.79 0.04 -1.26 -4.46 135.00 134.87 3mfx s PRO 125 Ca 0.08 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3mfx s PRO 125 Cb -0.19 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3mfx s PRO 125 CO -0.08 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.36 3mfx n GLY 126 N -0.48 0.47 0.26 0.56 0.00 -1.26 -4.84 105.19 99.90 3mfx n GLY 126 Ca 0.11 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.85 3mfx n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3mfx h HIS 127 N 0.00 0.00 -2.87 1.61 3.86 -2.04 -3.00 115.15 112.70 3mfx h HIS 127 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3mfx h HIS 127 Cb 0.00 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.05 3mfx h HIS 127 CO 0.00 0.04 -0.62 0.39 0.86 0.00 0.00 177.93 178.60 3mfx n GLU 128 N -4.44 1.76 -0.46 2.45 1.02 -1.26 -5.14 120.64 114.56 3mfx n GLU 128 Ca -0.03 -4.38 -0.27 0.00 -0.02 0.00 0.00 57.16 52.47 3mfx n GLU 128 Cb 0.12 -2.21 0.22 0.00 -0.02 0.00 0.00 31.44 29.55 3mfx n GLU 128 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3mfx n PRO 129 N 1.87 -2.96 -3.64 3.49 -0.04 -1.14 -4.94 135.00 127.65 3mfx n PRO 129 Ca 0.22 -0.86 -0.09 0.00 -0.04 0.00 0.00 63.50 62.73 3mfx n PRO 129 Cb 0.37 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 3mfx n PRO 129 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mfx s PHE 131 N -2.18 -0.80 0.27 0.54 0.40 0.12 -2.73 117.98 113.58 3mfx s PHE 131 Ca 0.56 1.77 0.02 0.00 -0.60 0.00 0.00 56.93 58.68 3mfx s PHE 131 Cb -0.13 0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.85 3mfx s PHE 131 CO 0.54 -0.39 0.17 0.28 0.70 0.00 0.00 175.22 176.52 3mfx n VAL 132 N 3.30 0.00 -3.98 -0.44 0.31 0.10 -0.41 118.33 117.21 3mfx n VAL 132 Ca -0.16 -1.08 0.02 0.00 -0.01 0.00 0.00 64.34 63.10 3mfx n VAL 132 Cb 0.57 -0.21 0.01 0.00 -0.91 0.00 0.00 33.84 33.30 3mfx n VAL 132 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3mfx n VAL 134 N -1.07 0.00 -3.31 2.52 0.31 -1.06 -0.93 118.33 114.80 3mfx n VAL 134 Ca -0.02 -0.16 0.03 0.00 -0.01 0.00 0.00 64.34 64.18 3mfx n VAL 134 Cb 0.31 0.51 -0.03 0.00 -0.91 0.00 0.00 33.84 33.72 3mfx n VAL 134 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3mfx s HIS 136 N -2.19 -0.84 0.12 3.52 2.46 0.37 -2.13 115.29 116.59 3mfx s HIS 136 Ca 0.26 1.18 -0.31 0.00 0.47 0.00 0.00 55.06 56.66 3mfx s HIS 136 Cb -0.01 0.40 -0.08 0.00 -0.13 0.00 0.00 32.58 32.77 3mfx s HIS 136 CO -0.00 -0.44 1.37 0.34 -2.47 0.00 0.00 174.74 173.53 3mfx s ASP 137 N 2.70 6.85 0.00 9.88 3.68 -1.26 0.11 116.67 138.64 3mfx s ASP 137 Ca 0.02 2.31 0.24 0.00 2.13 0.00 0.00 52.55 57.24 3mfx s ASP 137 Cb -0.09 -2.59 0.24 0.00 -1.45 0.00 0.00 42.92 39.03 3mfx s ASP 137 CO -0.16 -0.63 1.29 0.18 0.13 0.00 0.00 175.17 175.98