#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfx h SER 21 N 0.00 -0.72 -0.73 -3.46 0.02 -2.05 -1.49 113.55 105.12 3mfx h SER 21 Ca 0.00 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.12 3mfx h SER 21 Cb 0.00 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.66 3mfx h SER 21 CO 0.00 -0.46 0.29 0.25 -1.14 0.00 0.00 176.83 175.78 3mfx h LEU 22 N -0.73 0.28 -0.12 5.07 7.12 -2.04 -0.84 115.31 124.06 3mfx h LEU 22 Ca -0.06 0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.06 3mfx h LEU 22 Cb 0.59 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 3mfx h LEU 22 CO 0.06 0.12 0.06 -0.33 -0.13 0.00 0.00 178.44 178.22 3mfx h GLU 23 N 0.45 0.13 -0.79 1.25 5.08 -1.93 -1.27 114.58 117.49 3mfx h GLU 23 Ca 0.40 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 3mfx h GLU 23 Cb 0.58 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3mfx h GLU 23 CO -0.38 0.09 0.49 1.15 -1.00 0.00 0.00 179.01 179.36 3mfx h THR 24 N 0.14 1.07 -0.45 1.13 2.02 -0.24 -1.65 112.91 114.92 3mfx h THR 24 Ca 0.05 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3mfx h THR 24 Cb -0.00 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3mfx h THR 24 CO -0.03 0.17 0.25 0.40 0.37 0.00 0.00 175.52 176.68 3mfx h ILE 25 N 0.93 1.16 -0.71 3.11 1.08 -0.83 0.10 117.51 122.35 3mfx h ILE 25 Ca 0.33 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 3mfx h ILE 25 Cb 0.10 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 3mfx h ILE 25 CO -0.15 0.17 0.29 -0.33 -0.69 0.00 0.00 178.15 177.44 3mfx h GLU 26 N 0.59 1.04 -0.17 2.37 5.08 -0.66 -0.25 114.58 122.58 3mfx h GLU 26 Ca 0.16 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3mfx h GLU 26 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mfx h GLU 26 CO -0.03 0.84 -0.02 1.25 -1.00 0.00 0.00 179.01 180.06 3mfx h LEU 27 N 1.02 0.31 0.15 1.33 6.46 -1.00 -2.44 115.31 121.14 3mfx h LEU 27 Ca 0.24 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3mfx h LEU 27 Cb 0.19 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 3mfx h LEU 27 CO -0.02 0.58 -0.35 0.15 -0.62 0.00 0.00 178.44 178.17 3mfx h PHE 28 N 0.03 -0.96 -0.96 1.25 3.57 -0.39 -2.01 116.94 117.47 3mfx h PHE 28 Ca 0.04 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.75 3mfx h PHE 28 Cb 0.43 0.40 -0.10 0.00 2.79 0.00 0.00 35.95 39.47 3mfx h PHE 28 CO 0.04 -0.46 0.56 0.82 -2.23 0.00 0.00 178.31 177.04 3mfx h ILE 29 N -0.60 0.70 -0.02 1.41 2.04 -1.04 0.16 117.51 120.16 3mfx h ILE 29 Ca 0.02 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3mfx h ILE 29 Cb 0.62 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3mfx h ILE 29 CO -0.19 0.13 0.03 -0.61 0.00 0.00 0.00 178.15 177.51 3mfx h GLN 30 N 0.71 0.00 -0.01 2.37 5.75 -0.85 -1.95 115.11 121.13 3mfx h GLN 30 Ca 0.55 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.05 3mfx h GLN 30 Cb 0.85 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.40 3mfx h GLN 30 CO -0.39 0.00 -0.22 0.72 -2.65 0.00 0.00 178.83 176.29 3mfx n HIS 31 N -3.79 0.00 -3.20 3.99 8.25 0.55 -4.79 115.22 116.23 3mfx n HIS 31 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 3mfx n HIS 31 Cb 0.11 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 3mfx n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mfx s LEU 32 N -2.38 4.52 -0.04 2.41 1.43 -0.74 -4.95 118.68 118.93 3mfx s LEU 32 Ca 0.26 1.32 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3mfx s LEU 32 Cb 0.19 -2.98 0.19 0.00 0.03 0.00 0.00 46.19 43.62 3mfx s LEU 32 CO 0.48 0.23 0.87 0.35 0.23 0.00 0.00 176.35 178.51 3mfx n THR 33 N 1.88 0.57 -4.52 5.49 -2.24 -1.26 -4.77 114.28 109.43 3mfx n THR 33 Ca -0.09 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 3mfx n THR 33 Cb 0.50 -0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.49 2.87 0.36 -0.78 0.41 -1.26 -4.99 118.70 113.81 3mfx s GLU 34 Ca 0.13 -0.49 -0.26 0.00 -0.41 0.00 0.00 54.97 53.93 3mfx s GLU 34 Cb 0.09 -2.68 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 3mfx s GLU 34 CO 0.05 0.67 1.09 0.00 -0.49 0.00 0.00 175.26 176.57 3mfx s ALA 35 N -0.80 3.21 -0.15 5.21 0.00 -1.26 -4.74 121.76 123.23 3mfx s ALA 35 Ca 0.12 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3mfx s ALA 35 Cb -0.11 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.80 3mfx s ALA 35 CO 0.02 -0.26 0.88 0.96 0.00 0.00 0.00 175.76 177.36 3mfx s ILE 37 N -1.44 0.00 -0.22 0.00 -4.36 -1.26 -4.39 121.20 109.53 3mfx s ILE 37 Ca 0.53 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.85 3mfx s ILE 37 Cb -0.27 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.40 3mfx s ILE 37 CO 0.34 0.00 0.07 -0.22 0.24 0.00 0.00 174.94 175.37 3mfx s LEU 38 N -0.83 3.61 0.02 0.37 2.96 0.25 -4.29 118.68 120.76 3mfx s LEU 38 Ca -0.04 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3mfx s LEU 38 Cb -0.01 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3mfx s LEU 38 CO 0.03 0.06 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.20 3mfx s VAL 39 N 1.06 2.39 0.44 1.68 1.01 0.96 -0.44 120.40 127.50 3mfx s VAL 39 Ca 0.04 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 3mfx s VAL 39 Cb -0.14 -1.94 0.10 0.00 0.00 0.00 0.00 36.38 34.41 3mfx s VAL 39 CO 0.03 0.42 0.60 -0.46 0.00 0.00 0.00 175.10 175.70 3mfx n ASN 40 N 1.90 0.05 -0.04 3.32 2.04 -0.53 -0.31 115.26 121.69 3mfx n ASN 40 Ca -0.17 -1.22 0.15 0.00 -0.44 0.00 0.00 54.58 52.90 3mfx n ASN 40 Cb 0.52 -0.46 0.58 0.00 -2.53 0.00 0.00 39.78 37.89 3mfx n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3mfx h ALA 41 N -1.89 2.21 -0.28 -2.53 0.00 -1.87 -1.96 119.26 112.94 3mfx h ALA 41 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mfx h ALA 41 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mfx h ALA 41 CO 0.14 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.13 3mfx n ASN 42 N -4.44 2.44 0.00 0.00 3.02 -1.26 -4.62 115.26 110.40 3mfx n ASN 42 Ca 0.10 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 3mfx n ASN 42 Cb 0.46 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.29 0.76 3.73 7.41 0.00 -0.74 -4.99 105.19 112.65 3mfx n GLY 43 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.14 3.49 0.06 1.61 0.40 -1.26 -1.35 117.98 118.79 3mfx s PHE 44 Ca 0.00 0.77 -0.31 0.00 -0.60 0.00 0.00 56.93 56.79 3mfx s PHE 44 Cb 0.00 -2.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.00 3mfx s PHE 44 CO 0.00 0.20 1.39 0.96 0.70 0.00 0.00 175.22 178.48 3mfx s ILE 45 N 0.53 3.50 -0.14 0.64 -4.36 -0.16 -1.46 121.20 119.76 3mfx s ILE 45 Ca 0.22 1.01 0.18 0.00 -0.26 0.00 0.00 60.65 61.80 3mfx s ILE 45 Cb -0.14 -3.65 -0.24 0.00 1.25 0.00 0.00 42.46 39.68 3mfx s ILE 45 CO 0.08 0.04 0.36 -1.14 0.24 0.00 0.00 174.94 174.52 3mfx n ARG 46 N 4.57 0.66 -3.68 0.37 0.63 0.42 -0.51 116.66 119.11 3mfx n ARG 46 Ca 0.12 0.05 -0.14 0.00 -0.92 0.00 0.00 57.85 56.96 3mfx n ARG 46 Cb 0.43 -1.61 -0.09 0.00 0.45 0.00 0.00 32.46 31.64 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 -5.49 -0.52 0.02 6.15 0.15 -1.14 -4.84 113.70 108.03 3mfx s SER 47 Ca -0.08 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3mfx s SER 47 Cb 0.08 0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 65.33 3mfx s SER 47 CO 0.84 -0.26 0.01 0.00 1.20 0.00 0.00 173.24 175.03 3mfx s ASN 49 N -1.15 3.11 0.21 0.00 -0.87 -1.26 -4.65 114.94 110.34 3mfx s ASN 49 Ca 0.01 -1.02 -0.07 0.00 -1.57 0.00 0.00 52.86 50.22 3mfx s ASN 49 Cb 0.00 -0.22 0.16 0.00 -0.02 0.00 0.00 41.25 41.17 3mfx s ASN 49 CO 0.01 -0.05 1.71 -0.61 -2.57 0.00 0.00 177.10 175.59 3mfx h GLN 50 N 2.44 1.04 -0.45 -0.60 5.75 -1.90 0.16 115.11 121.54 3mfx h GLN 50 Ca -0.39 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 57.75 3mfx h GLN 50 Cb 1.24 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3mfx h GLN 50 CO 0.60 0.96 -0.04 0.00 -2.65 0.00 0.00 178.83 177.71 3mfx h ARG 51 N 0.98 0.77 -0.14 1.69 2.47 -1.88 0.10 114.38 118.37 3mfx h ARG 51 Ca 0.19 -0.22 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 3mfx h ARG 51 Cb 0.44 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3mfx h ARG 51 CO 0.01 0.81 -0.61 0.66 0.56 0.00 0.00 179.97 181.40 3mfx h SER 52 N 0.71 0.54 -0.10 7.04 4.64 -1.71 0.97 113.55 125.64 3mfx h SER 52 Ca 0.13 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 3mfx h SER 52 Cb 0.50 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3mfx h SER 52 CO 0.03 1.02 -0.21 0.00 -0.87 0.00 0.00 176.83 176.79 3mfx h ALA 53 N 0.99 1.12 -0.15 5.18 0.00 -0.27 -0.58 119.26 125.54 3mfx h ALA 53 Ca -0.01 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 3mfx h ALA 53 Cb 1.15 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3mfx h ALA 53 CO 0.11 0.55 -0.70 1.49 0.00 0.00 0.00 179.25 180.70 3mfx h GLU 54 N 0.46 0.74 -0.43 0.00 4.81 -0.46 -0.22 114.58 119.49 3mfx h GLU 54 Ca 0.07 -0.59 -0.13 0.00 -0.13 0.00 0.00 59.36 58.58 3mfx h GLU 54 Cb 0.62 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3mfx h GLU 54 CO 0.04 1.21 -0.26 1.25 -0.73 0.00 0.00 179.01 180.52 3mfx h LEU 55 N 0.45 0.93 -0.69 1.64 5.85 -0.60 -2.93 115.31 119.96 3mfx h LEU 55 Ca -0.04 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3mfx h LEU 55 Cb 1.33 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3mfx h LEU 55 CO 0.14 1.14 -0.04 0.18 -0.34 0.00 0.00 178.44 179.53 3mfx n LEU 56 N -4.09 1.11 -3.79 2.25 4.32 -0.24 -4.89 117.00 111.66 3mfx n LEU 56 Ca -0.00 -0.35 -0.28 0.00 -0.02 0.00 0.00 56.01 55.36 3mfx n LEU 56 Cb 0.47 -0.03 0.05 0.00 -1.62 0.00 0.00 43.42 42.29 3mfx n LEU 56 CO 0.46 0.19 0.15 0.47 -1.22 0.00 0.00 177.39 177.45 3mfx n ASP 57 N -0.20 -5.23 -3.72 -1.43 10.43 -0.58 -1.84 116.55 113.98 3mfx n ASP 57 Ca 0.19 -0.69 -0.16 0.00 2.57 0.00 0.00 54.79 56.69 3mfx n ASP 57 Cb 0.31 -4.31 -0.16 0.00 1.84 0.00 0.00 41.12 38.80 3mfx n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mfx s PRO 59 N 1.55 4.04 0.24 0.00 0.04 -1.26 -4.35 135.00 135.26 3mfx s PRO 59 Ca -0.04 2.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 3mfx s PRO 59 Cb -0.12 -2.92 0.35 0.00 0.04 0.00 0.00 34.50 31.85 3mfx s PRO 59 CO -0.04 -0.59 1.60 1.96 0.04 0.00 0.00 177.00 179.97 3mfx h GLN 60 N 2.89 0.01 -0.01 4.56 4.20 -1.91 0.50 115.11 125.36 3mfx h GLN 60 Ca -0.51 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3mfx h GLN 60 Cb 1.24 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3mfx h GLN 60 CO 0.64 0.01 0.10 -0.24 -0.67 0.00 0.00 178.83 178.66 3mfx h VAL 61 N 0.01 0.05 0.00 -0.54 3.04 -1.95 -1.06 116.25 115.80 3mfx h VAL 61 Ca 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 3mfx h VAL 61 Cb 0.60 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3mfx h VAL 61 CO -0.79 0.00 -1.58 -1.20 -1.01 0.00 0.00 177.57 172.99 3mfx n SER 62 N -3.10 0.67 0.15 3.17 7.64 0.16 -4.41 113.62 117.90 3mfx n SER 62 Ca -0.02 -0.28 -0.24 0.00 1.01 0.00 0.00 58.87 59.33 3mfx n SER 62 Cb 0.17 1.62 -0.16 0.00 -1.01 0.00 0.00 64.21 64.83 3mfx n SER 62 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3mfx h LEU 63 N 0.00 0.84 -9.77 -3.43 3.38 0.14 -3.43 115.31 103.04 3mfx h LEU 63 Ca 0.00 -0.89 -0.54 0.00 0.09 0.00 0.00 57.88 56.54 3mfx h LEU 63 Cb 0.75 -0.27 0.09 0.00 0.09 0.00 0.00 40.66 41.31 3mfx h LEU 63 CO 0.00 1.69 0.83 1.17 0.09 0.00 0.00 178.44 182.23 3mfx n LYS 64 N -3.71 2.59 0.00 1.13 4.81 -0.85 -2.09 118.16 120.04 3mfx n LYS 64 Ca -0.16 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3mfx n LYS 64 Cb 1.10 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 33.47 3mfx n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfx n GLY 65 N 2.09 3.00 3.80 3.14 0.00 0.33 -5.00 105.19 112.55 3mfx n GLY 65 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.55 2.61 -0.28 1.61 -0.21 -0.89 -4.61 119.66 117.34 3mfx s GLN 66 Ca 0.00 1.00 -0.24 0.00 0.02 0.00 0.00 55.36 56.14 3mfx s GLN 66 Cb 0.00 -1.95 -0.00 0.00 1.00 0.00 0.00 33.01 32.06 3mfx s GLN 66 CO 0.00 -1.34 0.82 0.34 -2.12 0.00 0.00 175.29 172.99 3mfx s ASP 67 N -3.66 6.75 0.57 5.90 3.68 -1.26 -0.99 116.67 127.65 3mfx s ASP 67 Ca 0.59 0.84 0.27 0.00 2.13 0.00 0.00 52.55 56.38 3mfx s ASP 67 Cb -0.15 -2.43 1.52 0.00 -1.45 0.00 0.00 42.92 40.41 3mfx s ASP 67 CO 0.55 -0.59 2.03 4.11 0.13 0.00 0.00 175.17 181.40 3mfx h TRP 68 N 7.94 0.00 0.00 -5.34 5.08 -1.58 0.33 115.95 122.38 3mfx h TRP 68 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 3mfx h TRP 68 Cb 1.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3mfx h TRP 68 CO 0.77 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.47 3mfx n ARG 69 N -3.99 0.07 0.15 0.12 1.74 -1.26 -1.22 116.66 112.27 3mfx n ARG 69 Ca 0.05 0.50 0.12 0.00 -0.77 0.00 0.00 57.85 57.76 3mfx n ARG 69 Cb 0.47 -1.70 0.54 0.00 -1.02 0.00 0.00 32.46 30.75 3mfx n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mfx n ASN 70 N -1.85 0.67 -1.07 0.55 3.02 0.11 -1.94 115.26 114.75 3mfx n ASN 70 Ca 0.00 0.71 0.05 0.00 -0.03 0.00 0.00 54.58 55.31 3mfx n ASN 70 Cb 0.06 -0.83 0.26 0.00 -0.61 0.00 0.00 39.78 38.66 3mfx n ASN 70 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3mfx n PHE 71 N -2.29 1.15 -4.17 3.10 3.72 -0.36 -4.85 117.46 113.78 3mfx n PHE 71 Ca 0.01 -1.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.11 3mfx n PHE 71 Cb 0.17 -0.38 -0.09 0.00 -0.94 0.00 0.00 39.48 38.24 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 -2.90 3.30 0.54 4.37 1.43 -0.82 -0.57 118.68 124.03 3mfx s LEU 72 Ca 0.44 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 53.07 3mfx s LEU 72 Cb 0.36 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3mfx s LEU 72 CO 0.08 0.17 1.19 0.42 0.23 0.00 0.00 176.35 178.44 3mfx s THR 73 N -1.30 2.86 0.62 5.49 -4.23 -1.25 -4.65 115.64 113.18 3mfx s THR 73 Ca 0.24 0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 61.15 3mfx s THR 73 Cb -0.11 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.45 3mfx s THR 73 CO 0.17 -0.08 1.24 -0.70 -0.54 0.00 0.00 174.62 174.71 3mfx s GLU 74 N -3.09 2.75 -0.99 3.99 2.12 -1.26 -3.18 118.70 119.04 3mfx s GLU 74 Ca 0.72 1.91 -0.01 0.00 0.36 0.00 0.00 54.97 57.95 3mfx s GLU 74 Cb -0.29 -1.89 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 3mfx s GLU 74 CO 0.33 -1.40 0.83 0.72 -0.54 0.00 0.00 175.26 175.20 3mfx n HIS 75 N -1.80 -1.87 -1.94 5.30 8.25 -1.26 -5.03 115.22 116.88 3mfx n HIS 75 Ca 0.14 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 3mfx n HIS 75 Cb 0.49 -4.49 0.00 0.00 1.12 0.00 0.00 29.99 27.11 3mfx n HIS 75 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3mfx n HIS 76 N -3.53 -2.49 -2.13 4.41 1.44 -1.19 -5.03 115.22 106.69 3mfx n HIS 76 Ca -0.22 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.08 3mfx n HIS 76 Cb 0.64 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.72 3mfx n HIS 76 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3mfx s GLN 77 N -1.28 4.36 0.14 -1.40 -0.21 -1.26 -4.93 119.66 115.08 3mfx s GLN 77 Ca 0.00 2.18 -0.16 0.00 0.02 0.00 0.00 55.36 57.40 3mfx s GLN 77 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3mfx s GLN 77 CO 0.00 -0.21 1.76 0.00 -2.12 0.00 0.00 175.29 174.72 3mfx h ALA 78 N 3.97 0.49 -0.38 6.09 0.00 -2.02 -2.69 119.26 124.73 3mfx h ALA 78 Ca -0.48 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.48 3mfx h ALA 78 Cb 1.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3mfx h ALA 78 CO 0.69 0.00 0.45 0.07 0.00 0.00 0.00 179.25 180.47 3mfx h ARG 79 N 0.50 0.00 0.00 0.00 0.11 -1.91 0.85 114.38 113.93 3mfx h ARG 79 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 3mfx h ARG 79 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3mfx h ARG 79 CO -0.02 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.71 3mfx n TYR 80 N -3.60 0.00 0.77 4.08 0.53 -1.01 -2.28 117.16 115.64 3mfx n TYR 80 Ca 0.07 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.07 3mfx n TYR 80 Cb 0.62 -0.13 0.21 0.00 -1.03 0.00 0.00 39.34 39.00 3mfx n TYR 80 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3mfx n ASP 81 N -1.13 0.58 -3.19 7.72 10.43 0.30 -4.61 116.55 126.65 3mfx n ASP 81 Ca 0.15 -0.05 0.02 0.00 2.57 0.00 0.00 54.79 57.48 3mfx n ASP 81 Cb 0.14 0.23 -0.01 0.00 1.84 0.00 0.00 41.12 43.32 3mfx n ASP 81 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3mfx s ASN 82 N -3.64 -1.53 0.51 -2.24 6.03 -0.97 -5.01 114.94 108.09 3mfx s ASN 82 Ca 0.08 -0.53 0.21 0.00 -1.03 0.00 0.00 52.86 51.60 3mfx s ASN 82 Cb 0.15 1.95 1.34 0.00 -3.03 0.00 0.00 41.25 41.66 3mfx s ASN 82 CO 0.71 -0.20 2.10 -0.07 -2.03 0.00 0.00 177.10 177.61 3mfx h LEU 83 N 7.21 0.00 -0.85 3.54 3.38 -1.81 -1.68 115.31 125.10 3mfx h LEU 83 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mfx h LEU 83 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3mfx h LEU 83 CO 0.11 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3mfx n LEU 84 N -4.11 1.32 -3.66 1.67 4.77 -1.26 0.11 117.00 115.84 3mfx n LEU 84 Ca -0.03 -0.44 -0.27 0.00 -0.03 0.00 0.00 56.01 55.24 3mfx n LEU 84 Cb 0.18 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3mfx n LEU 84 CO 0.32 0.22 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.33 3mfx n SER 85 N 0.03 -4.17 -4.75 -1.43 7.64 -0.63 -4.40 113.62 105.91 3mfx n SER 85 Ca 0.20 -0.95 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 3mfx n SER 85 Cb 0.33 -3.68 -0.03 0.00 -1.01 0.00 0.00 64.21 59.81 3mfx n SER 85 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mfx s HIS 86 N -3.55 3.42 -1.29 1.43 3.76 -1.26 -4.55 115.29 113.25 3mfx s HIS 86 Ca 0.34 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.66 3mfx s HIS 86 Cb -0.11 -3.43 -0.00 0.00 1.11 0.00 0.00 32.58 30.15 3mfx s HIS 86 CO 0.84 -1.12 0.60 -0.25 -0.85 0.00 0.00 174.74 173.95 3mfx n ASP 87 N 1.94 -2.31 -0.98 1.40 8.00 -1.26 -5.12 116.55 118.23 3mfx n ASP 87 Ca 0.02 -0.99 -0.07 0.00 0.71 0.00 0.00 54.79 54.46 3mfx n ASP 87 Cb 0.44 -3.28 -0.07 0.00 -0.02 0.00 0.00 41.12 38.19 3mfx n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mfx n GLY 95 N -1.82 0.50 3.71 0.44 0.00 -1.26 -5.22 105.19 101.54 3mfx n GLY 95 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 4.54 0.57 1.61 -1.52 -1.26 -4.76 119.66 118.85 3mfx s GLN 96 Ca 0.00 1.53 -0.20 0.00 -1.95 0.00 0.00 55.36 54.74 3mfx s GLN 96 Cb 0.00 -3.41 -0.05 0.00 -0.22 0.00 0.00 33.01 29.33 3mfx s GLN 96 CO 0.00 -0.07 1.18 -0.35 -0.25 0.00 0.00 175.29 175.80 3mfx n PRO 97 N 3.71 1.27 -2.41 2.91 -0.04 -1.26 -4.52 135.00 134.66 3mfx n PRO 97 Ca 0.06 0.48 -0.40 0.00 -0.04 0.00 0.00 63.50 63.59 3mfx n PRO 97 Cb 0.49 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 3mfx n PRO 97 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mfx s VAL 98 N -1.38 3.41 -0.29 0.52 1.01 0.12 -5.00 120.40 118.78 3mfx s VAL 98 Ca 0.74 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.90 3mfx s VAL 98 Cb -0.42 -3.87 0.16 0.00 0.00 0.00 0.00 36.38 32.25 3mfx s VAL 98 CO 0.47 0.31 1.12 0.00 0.00 0.00 0.00 175.10 177.00 3mfx s GLN 99 N -1.27 0.29 0.00 2.72 -2.07 -1.26 -4.39 119.66 113.69 3mfx s GLN 99 Ca 0.46 0.44 -0.24 0.00 -1.82 0.00 0.00 55.36 54.21 3mfx s GLN 99 Cb -0.33 0.09 0.05 0.00 -1.09 0.00 0.00 33.01 31.73 3mfx s GLN 99 CO 0.42 -0.05 0.53 -3.38 -1.32 0.00 0.00 175.29 171.49 3mfx s HIS 100 N 0.85 -0.45 1.29 9.60 -3.43 0.08 -4.95 115.29 118.28 3mfx s HIS 100 Ca -0.04 0.65 -0.19 0.00 -0.80 0.00 0.00 55.06 54.67 3mfx s HIS 100 Cb -0.04 0.31 0.32 0.00 -1.43 0.00 0.00 32.58 31.75 3mfx s HIS 100 CO -0.12 -0.58 1.01 -1.25 -2.00 0.00 0.00 174.74 171.80 3mfx s PRO 101 N -1.81 -1.91 0.33 -0.38 0.04 -1.26 -0.75 135.00 129.26 3mfx s PRO 101 Ca -0.09 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 3mfx s PRO 101 Cb -0.01 -1.49 -0.12 0.00 0.04 0.00 0.00 34.50 32.92 3mfx s PRO 101 CO 0.03 -4.22 1.46 0.00 0.04 0.00 0.00 177.00 174.32 3mfx n ALA 102 N -5.17 2.02 -3.63 8.56 0.00 -1.25 -4.44 120.51 116.59 3mfx n ALA 102 Ca 0.11 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 3mfx n ALA 102 Cb 0.59 -2.38 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.38 0.82 -0.21 0.00 -2.07 0.24 -4.86 119.66 112.20 3mfx s GLN 103 Ca 0.59 1.02 -0.42 0.00 -1.82 0.00 0.00 55.36 54.73 3mfx s GLN 103 Cb -0.52 0.38 -0.20 0.00 -1.09 0.00 0.00 33.01 31.58 3mfx s GLN 103 CO 0.57 -0.11 1.27 0.39 -1.32 0.00 0.00 175.29 176.10 3mfx n GLU 104 N 2.88 0.00 -3.71 9.60 1.02 -1.26 -1.97 120.64 127.20 3mfx n GLU 104 Ca -0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 3mfx n GLU 104 Cb 0.55 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.26 -0.02 -0.19 2.62 2.01 0.40 -4.86 115.64 116.86 3mfx s THR 105 Ca 0.95 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 3mfx s THR 105 Cb -1.34 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3mfx s THR 105 CO 0.66 0.03 0.41 0.28 -0.69 0.00 0.00 174.62 175.31 3mfx s THR 106 N 1.12 5.20 0.32 -0.82 -1.32 -1.26 -1.59 115.64 117.30 3mfx s THR 106 Ca -0.07 0.74 0.08 0.00 -1.21 0.00 0.00 61.69 61.23 3mfx s THR 106 Cb -0.07 -3.74 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 3mfx s THR 106 CO -0.09 0.27 0.22 -0.76 -2.21 0.00 0.00 174.62 172.05 3mfx s LEU 107 N 1.17 3.52 -0.31 9.08 1.02 0.10 -3.77 118.68 129.50 3mfx s LEU 107 Ca 0.20 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.84 3mfx s LEU 107 Cb -0.15 -2.08 0.09 0.00 0.02 0.00 0.00 46.19 44.07 3mfx s LEU 107 CO 0.08 -0.27 0.00 -0.63 0.02 0.00 0.00 176.35 175.55 3mfx s ILE 108 N -2.31 2.08 0.90 -0.59 -1.09 0.27 -0.27 121.20 120.19 3mfx s ILE 108 Ca 0.38 -1.99 -0.11 0.00 -2.23 0.00 0.00 60.65 56.71 3mfx s ILE 108 Cb -0.05 -2.43 0.14 0.00 -1.58 0.00 0.00 42.46 38.54 3mfx s ILE 108 CO 0.25 -0.41 1.12 0.00 -1.23 0.00 0.00 174.94 174.67 3mfx h ALA 110 N -1.73 2.11 0.00 0.00 0.00 -1.59 0.27 119.26 118.32 3mfx h ALA 110 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mfx h ALA 110 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3mfx h ALA 110 CO 0.46 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 3mfx n SER 111 N -4.33 0.21 0.00 0.00 3.41 -1.26 -4.84 113.62 106.81 3mfx n SER 111 Ca 0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3mfx n SER 111 Cb 0.30 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.39 2.40 3.72 5.00 0.00 0.94 -4.97 105.19 112.67 3mfx n GLY 112 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mfx n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfx s LYS 113 N 0.00 4.26 0.02 1.61 -0.14 -1.25 -4.66 119.74 119.57 3mfx s LYS 113 Ca 0.00 2.26 -0.26 0.00 -1.36 0.00 0.00 55.97 56.61 3mfx s LYS 113 Cb 0.00 -3.18 -0.05 0.00 -1.68 0.00 0.00 37.83 32.93 3mfx s LYS 113 CO 0.00 -0.52 0.81 0.00 -0.76 0.00 0.00 175.35 174.88 3mfx s ALA 114 N 0.95 3.31 -0.09 5.17 0.00 -1.26 -0.30 121.76 129.53 3mfx s ALA 114 Ca 0.67 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.97 3mfx s ALA 114 Cb -0.41 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3mfx s ALA 114 CO 0.33 -0.03 -0.14 0.21 0.00 0.00 0.00 175.76 176.13 3mfx s LYS 115 N 0.33 1.99 -0.34 0.00 2.47 0.63 -4.96 119.74 119.87 3mfx s LYS 115 Ca 0.41 -0.49 -0.19 0.00 -1.56 0.00 0.00 55.97 54.15 3mfx s LYS 115 Cb -0.20 -1.69 -0.00 0.00 -1.46 0.00 0.00 37.83 34.47 3mfx s LYS 115 CO 0.23 -0.04 0.58 -0.51 0.16 0.00 0.00 175.35 175.77 3mfx s ASP 116 N 0.91 6.39 0.28 1.43 1.01 -1.26 0.03 116.67 125.46 3mfx s ASP 116 Ca -0.09 0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.35 3mfx s ASP 116 Cb -0.15 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3mfx s ASP 116 CO 0.00 -0.50 0.09 0.68 0.21 0.00 0.00 175.17 175.65 3mfx s VAL 117 N 2.53 0.69 -0.31 -1.27 -7.23 -0.62 -2.11 120.40 112.08 3mfx s VAL 117 Ca 0.22 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3mfx s VAL 117 Cb -0.15 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 3mfx s VAL 117 CO 0.13 0.00 0.19 -0.70 -0.31 0.00 0.00 175.10 174.41 3mfx s GLU 118 N -3.97 3.53 -0.11 4.82 2.56 0.15 -0.45 118.70 125.24 3mfx s GLU 118 Ca 0.37 -0.60 -0.01 0.00 0.00 0.00 0.00 54.97 54.73 3mfx s GLU 118 Cb 0.08 -3.66 -0.03 0.00 2.00 0.00 0.00 34.13 32.52 3mfx s GLU 118 CO 0.14 -0.37 -0.06 -1.17 -0.56 0.00 0.00 175.26 173.25 3mfx s LEU 119 N 1.68 3.19 0.05 2.70 2.96 -0.83 0.15 118.68 128.58 3mfx s LEU 119 Ca 0.06 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3mfx s LEU 119 Cb -0.17 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3mfx s LEU 119 CO 0.09 0.27 -0.18 -0.94 -1.32 0.00 0.00 176.35 174.27 3mfx s SER 120 N -0.28 2.18 -0.07 3.68 1.04 -0.35 -0.59 113.70 119.30 3mfx s SER 120 Ca 0.04 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3mfx s SER 120 Cb -0.13 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.84 3mfx s SER 120 CO 0.02 0.10 -0.16 -0.63 0.98 0.00 0.00 173.24 173.56 3mfx s ILE 121 N -0.85 1.41 -0.07 -1.02 1.01 0.07 -1.87 121.20 119.88 3mfx s ILE 121 Ca 0.05 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3mfx s ILE 121 Cb -0.09 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3mfx s ILE 121 CO 0.02 0.42 -0.24 -0.44 0.00 0.00 0.00 174.94 174.70 3mfx s SER 122 N 0.55 2.98 -0.09 3.58 0.01 -0.60 -0.74 113.70 119.39 3mfx s SER 122 Ca -0.16 -0.51 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 3mfx s SER 122 Cb -0.16 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 3mfx s SER 122 CO 0.05 0.21 0.46 -0.47 0.41 0.00 0.00 173.24 173.90 3mfx s TYR 123 N 0.03 3.56 -0.34 2.43 5.04 -1.26 -0.47 117.35 126.34 3mfx s TYR 123 Ca -0.09 0.91 0.01 0.00 -2.44 0.00 0.00 57.07 55.46 3mfx s TYR 123 Cb -0.15 -2.49 0.09 0.00 0.35 0.00 0.00 41.96 39.76 3mfx s TYR 123 CO 0.05 0.28 0.07 0.42 -1.34 0.00 0.00 175.55 175.03 3mfx s ILE 124 N 0.22 2.72 0.37 3.14 1.09 -1.26 -4.99 121.20 122.50 3mfx s ILE 124 Ca 0.25 -1.96 -0.26 0.00 -1.10 0.00 0.00 60.65 57.58 3mfx s ILE 124 Cb -0.15 -2.82 -0.09 0.00 -1.06 0.00 0.00 42.46 38.34 3mfx s ILE 124 CO 0.11 -0.45 1.08 -2.16 -0.10 0.00 0.00 174.94 173.42 3mfx s PRO 125 N 1.07 4.27 0.00 2.79 0.04 -1.26 -4.62 135.00 137.29 3mfx s PRO 125 Ca 0.04 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3mfx s PRO 125 Cb -0.20 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.60 3mfx s PRO 125 CO -0.05 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.32 3mfx n GLY 126 N 0.62 2.17 0.17 0.56 0.00 -1.26 -4.96 105.19 102.49 3mfx n GLY 126 Ca 0.03 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.64 1.61 3.86 -2.07 -3.42 115.15 112.49 3mfx h HIS 127 Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3mfx h HIS 127 Cb 0.00 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.23 3mfx h HIS 127 CO 0.00 0.00 -0.20 -1.83 0.86 0.00 0.00 177.93 176.76 3mfx s GLU 128 N -3.28 0.51 1.05 2.45 -1.05 -1.26 -5.25 118.70 111.87 3mfx s GLU 128 Ca 0.06 0.66 -0.12 0.00 -0.15 0.00 0.00 54.97 55.42 3mfx s GLU 128 Cb 0.09 0.22 0.22 0.00 -0.44 0.00 0.00 34.13 34.22 3mfx s GLU 128 CO 0.55 -0.08 1.07 -1.25 0.95 0.00 0.00 175.26 176.50 3mfx s PRO 129 N 0.41 -0.02 -0.06 -4.83 0.04 -1.26 -4.86 135.00 124.42 3mfx s PRO 129 Ca -0.01 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3mfx s PRO 129 Cb -0.04 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 32.93 3mfx s PRO 129 CO -0.01 -3.09 0.82 -0.06 0.04 0.00 0.00 177.00 174.69 3mfx s PHE 131 N -2.74 -0.50 0.10 0.56 0.40 0.58 -2.85 117.98 113.53 3mfx s PHE 131 Ca 0.66 0.74 0.01 0.00 -0.60 0.00 0.00 56.93 57.74 3mfx s PHE 131 Cb -0.21 0.46 -0.00 0.00 0.51 0.00 0.00 43.02 43.77 3mfx s PHE 131 CO 0.60 -0.53 0.03 0.28 0.70 0.00 0.00 175.22 176.30 3mfx n VAL 132 N 0.55 0.00 -4.00 -0.44 0.31 0.38 -0.03 118.33 115.11 3mfx n VAL 132 Ca -0.14 -0.53 0.03 0.00 -0.01 0.00 0.00 64.34 63.68 3mfx n VAL 132 Cb 0.59 0.17 0.01 0.00 -0.91 0.00 0.00 33.84 33.70 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 -0.22 0.00 -3.18 2.52 0.31 -0.78 -1.56 118.33 115.41 3mfx n VAL 134 Ca -0.02 -0.10 0.05 0.00 -0.01 0.00 0.00 64.34 64.26 3mfx n VAL 134 Cb 0.14 0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 33.52 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 -2.14 -0.78 0.13 3.52 2.46 0.12 -1.21 115.29 117.39 3mfx s HIS 136 Ca 0.26 0.89 -0.31 0.00 0.47 0.00 0.00 55.06 56.37 3mfx s HIS 136 Cb -0.00 0.30 -0.09 0.00 -0.13 0.00 0.00 32.58 32.65 3mfx s HIS 136 CO -0.01 -0.42 1.51 0.34 -2.47 0.00 0.00 174.74 173.68 3mfx s ASP 137 N 2.87 6.68 0.00 9.88 -1.08 -1.26 0.34 116.67 134.10 3mfx s ASP 137 Ca 0.04 2.48 0.26 0.00 -0.52 0.00 0.00 52.55 54.81 3mfx s ASP 137 Cb -0.11 -2.59 0.61 0.00 -1.46 0.00 0.00 42.92 39.37 3mfx s ASP 137 CO -0.14 -0.76 1.50 0.18 0.52 0.00 0.00 175.17 176.46