#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfn n SER 8 N 0.00 2.17 -0.02 -1.43 3.41 -1.26 -4.96 113.62 111.53 3mfn n SER 8 Ca 0.00 -2.06 -0.03 0.00 -0.26 0.00 0.00 58.87 56.53 3mfn n SER 8 Cb 0.00 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3mfn n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfn h ALA 9 N 1.19 -0.43 0.00 7.33 0.00 -2.00 -2.31 119.26 123.03 3mfn h ALA 9 Ca -0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3mfn h ALA 9 Cb 0.60 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3mfn h ALA 9 CO 0.30 -0.48 -0.50 -0.56 0.00 0.00 0.00 179.25 178.02 3mfn h GLN 10 N -0.09 0.00 -0.26 0.00 3.07 -1.99 -2.99 115.11 112.85 3mfn h GLN 10 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.71 3mfn h GLN 10 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 3mfn h GLN 10 CO -0.10 0.42 0.02 0.93 0.09 0.00 0.00 178.83 180.20 3mfn h GLU 11 N 0.00 0.45 -0.34 0.06 5.08 -1.96 0.45 114.58 118.32 3mfn h GLU 11 Ca -0.01 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3mfn h GLU 11 Cb 1.35 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 3mfn h GLU 11 CO 0.06 0.59 -0.09 0.00 -1.00 0.00 0.00 179.01 178.57 3mfn h ALA 12 N 0.84 0.22 -0.69 3.43 0.00 -1.37 -0.65 119.26 121.04 3mfn h ALA 12 Ca 0.08 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3mfn h ALA 12 Cb 0.37 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3mfn h ALA 12 CO 0.01 -0.46 0.15 0.28 0.00 0.00 0.00 179.25 179.23 3mfn h VAL 13 N -0.01 1.26 -0.18 0.00 2.07 -1.39 -2.08 116.25 115.92 3mfn h VAL 13 Ca 0.16 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3mfn h VAL 13 Cb 0.25 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3mfn h VAL 13 CO -0.35 0.37 0.05 0.40 0.02 0.00 0.00 177.57 178.06 3mfn h ILE 14 N 1.04 0.94 -0.57 4.57 2.04 -0.40 -2.15 117.51 122.99 3mfn h ILE 14 Ca 0.21 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.09 3mfn h ILE 14 Cb 0.39 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3mfn h ILE 14 CO 0.00 0.02 0.27 -0.08 0.00 0.00 0.00 178.15 178.37 3mfn h GLU 15 N 0.13 0.49 -0.85 2.37 4.57 -1.04 -1.07 114.58 119.18 3mfn h GLU 15 Ca 0.08 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 3mfn h GLU 15 Cb 0.06 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.46 3mfn h GLU 15 CO -0.10 0.32 0.48 0.00 -1.18 0.00 0.00 179.01 178.53 3mfn h ALA 16 N 1.33 1.24 -0.12 2.92 0.00 -1.05 -1.02 119.26 122.56 3mfn h ALA 16 Ca 0.26 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3mfn h ALA 16 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3mfn h ALA 16 CO -0.21 0.05 -0.53 0.87 0.00 0.00 0.00 179.25 179.44 3mfn h LYS 17 N 0.76 0.34 -0.53 0.00 1.57 -0.81 -2.88 116.57 115.02 3mfn h LYS 17 Ca 0.43 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3mfn h LYS 17 Cb 0.47 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3mfn h LYS 17 CO -0.28 0.79 0.06 0.00 -0.57 0.00 0.00 179.45 179.45 3mfn h ARG 18 N 0.27 0.86 -0.49 3.15 3.08 0.07 -1.46 114.38 119.86 3mfn h ARG 18 Ca 0.01 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3mfn h ARG 18 Cb 1.02 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3mfn h ARG 18 CO 0.09 0.82 0.29 1.88 -1.07 0.00 0.00 179.97 181.98 3mfn h TYR 19 N 0.81 0.55 -0.06 3.04 0.05 -1.17 0.24 116.97 120.43 3mfn h TYR 19 Ca 0.17 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.99 3mfn h TYR 19 Cb 0.40 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3mfn h TYR 19 CO 0.02 0.32 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.29 3mfn h LEU 20 N 0.59 -0.26 -0.76 3.88 -0.00 -1.28 -0.94 115.31 116.53 3mfn h LEU 20 Ca 0.20 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 58.04 3mfn h LEU 20 Cb 0.01 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 3mfn h LEU 20 CO -0.09 -0.12 0.02 0.78 -0.00 0.00 0.00 178.44 179.03 3mfn h ASN 21 N -0.12 0.93 -0.80 -0.43 2.35 -1.21 -0.95 115.58 115.35 3mfn h ASN 21 Ca 0.05 -0.24 0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3mfn h ASN 21 Cb 0.20 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 3mfn h ASN 21 CO -0.13 0.98 0.47 0.78 -1.65 0.00 0.00 177.43 177.88 3mfn h ASN 22 N 0.89 0.72 -0.54 5.81 -0.26 -0.72 0.72 115.58 122.20 3mfn h ASN 22 Ca 0.17 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 3mfn h ASN 22 Cb 0.50 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 3mfn h ASN 22 CO 0.02 0.45 0.13 0.00 -1.06 0.00 0.00 177.43 176.97 3mfn h ALA 23 N 1.40 0.71 -0.64 -0.83 0.00 -0.74 0.63 119.26 119.80 3mfn h ALA 23 Ca 0.36 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3mfn h ALA 23 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mfn h ALA 23 CO -0.19 0.42 0.06 0.87 0.00 0.00 0.00 179.25 180.40 3mfn h LYS 24 N 0.76 1.09 -0.64 0.00 1.57 -0.88 -2.21 116.57 116.25 3mfn h LYS 24 Ca 0.17 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3mfn h LYS 24 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3mfn h LYS 24 CO 0.00 1.02 0.42 -0.44 -0.57 0.00 0.00 179.45 179.89 3mfn h ASP 25 N 1.00 0.72 -0.43 0.86 3.32 -0.52 -0.45 116.42 120.92 3mfn h ASP 25 Ca 0.19 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3mfn h ASP 25 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3mfn h ASP 25 CO 0.02 0.52 0.26 0.40 -1.72 0.00 0.00 179.24 178.72 3mfn h ILE 26 N 0.85 1.14 -0.38 0.35 2.04 -0.62 0.19 117.51 121.08 3mfn h ILE 26 Ca 0.24 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3mfn h ILE 26 Cb -0.08 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3mfn h ILE 26 CO -0.06 0.14 0.06 -0.07 0.00 0.00 0.00 178.15 178.22 3mfn h LEU 27 N 0.57 0.60 -0.32 1.44 3.38 -1.00 0.24 115.31 120.21 3mfn h LEU 27 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3mfn h LEU 27 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3mfn h LEU 27 CO -0.03 0.71 0.18 -0.09 0.09 0.00 0.00 178.44 179.30 3mfn h ARG 28 N 0.47 0.45 0.05 1.13 2.43 -0.89 -0.18 114.38 117.83 3mfn h ARG 28 Ca 0.12 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.95 3mfn h ARG 28 Cb 0.36 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3mfn h ARG 28 CO 0.01 0.37 -1.53 -0.44 -1.51 0.00 0.00 179.97 176.87 3mfn h ASP 29 N 0.40 0.16 0.00 -3.80 3.32 -0.48 -3.41 116.42 112.61 3mfn h ASP 29 Ca 0.11 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3mfn h ASP 29 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3mfn h ASP 29 CO -0.02 1.22 -0.10 0.29 -1.72 0.00 0.00 179.24 178.91 3mfn n LYS 30 N -3.28 4.84 0.31 3.56 4.76 0.79 -4.78 118.16 124.37 3mfn n LYS 30 Ca -0.15 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.49 3mfn n LYS 30 Cb 1.03 -0.45 1.02 0.00 -1.84 0.00 0.00 35.03 34.78 3mfn n LYS 30 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3mfn h GLY 31 N 0.00 0.00 -5.76 0.72 0.00 -0.56 -3.44 103.07 94.04 3mfn h GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3mfn h GLY 31 CO 0.00 0.00 -0.81 0.61 0.00 0.00 0.00 176.54 176.34 3mfn n GLY 32 N -0.83 -0.54 3.67 4.60 0.00 -1.26 -1.76 105.19 109.07 3mfn n GLY 32 Ca -0.02 0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3mfn n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mfn n LYS 33 N -3.99 2.63 -4.08 1.61 4.81 -1.26 -1.70 118.16 116.18 3mfn n LYS 33 Ca -0.24 0.96 -0.20 0.00 -0.87 0.00 0.00 58.31 57.97 3mfn n LYS 33 Cb 0.66 -2.89 -0.16 0.00 0.02 0.00 0.00 35.03 32.65 3mfn n LYS 33 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3mfn s GLU 34 N 4.38 0.73 -1.44 1.64 2.02 0.29 -4.92 118.70 121.41 3mfn s GLU 34 Ca 0.91 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.77 3mfn s GLU 34 Cb -0.52 -0.81 0.05 0.00 0.10 0.00 0.00 34.13 32.95 3mfn s GLU 34 CO 0.45 -0.12 0.79 -0.25 0.02 0.00 0.00 175.26 176.16 3mfn n ASP 35 N 4.19 -2.71 0.00 -0.19 8.00 -1.26 -1.64 116.55 122.94 3mfn n ASP 35 Ca -0.23 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3mfn n ASP 35 Cb 0.51 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 3mfn n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mfn n GLY 36 N -1.67 1.13 3.08 0.44 0.00 -1.26 -5.03 105.19 101.88 3mfn n GLY 36 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3mfn n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfn s PHE 37 N -3.92 1.55 -0.32 1.61 0.08 -0.65 -0.78 117.98 115.54 3mfn s PHE 37 Ca 0.00 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.28 3mfn s PHE 37 Cb 0.00 -1.07 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3mfn s PHE 37 CO 0.00 -0.20 1.56 0.71 -0.10 0.00 0.00 175.22 177.19 3mfn s TYR 38 N 0.25 2.20 -0.42 0.36 2.02 -0.33 -0.55 117.35 120.88 3mfn s TYR 38 Ca -0.07 0.65 0.23 0.00 -0.37 0.00 0.00 57.07 57.51 3mfn s TYR 38 Cb -0.12 -4.12 0.29 0.00 -0.40 0.00 0.00 41.96 37.60 3mfn s TYR 38 CO 0.03 -2.47 1.45 1.96 -1.57 0.00 0.00 175.55 174.94 3mfn h GLN 39 N 11.10 0.00 -4.52 -0.62 1.08 -0.48 -3.40 115.11 118.26 3mfn h GLN 39 Ca -0.31 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.17 3mfn h GLN 39 Cb 1.13 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.35 3mfn h GLN 39 CO 1.04 0.00 0.20 0.34 -0.95 0.00 0.00 178.83 179.46 3mfn s ASP 40 N -5.70 6.37 0.32 1.46 -1.08 -0.89 -4.92 116.67 112.23 3mfn s ASP 40 Ca 0.05 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.28 3mfn s ASP 40 Cb 0.07 -2.29 0.53 0.00 -1.46 0.00 0.00 42.92 39.77 3mfn s ASP 40 CO 0.70 -0.98 1.97 0.77 0.52 0.00 0.00 175.17 178.15 3mfn h SER 41 N 8.83 0.82 -0.27 -0.34 4.64 -1.83 -1.95 113.55 123.46 3mfn h SER 41 Ca -0.15 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3mfn h SER 41 Cb 1.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3mfn h SER 41 CO 1.03 0.62 0.14 0.07 -0.87 0.00 0.00 176.83 177.82 3mfn h LYS 42 N 0.95 0.43 0.00 4.77 2.10 -1.91 -0.79 116.57 122.11 3mfn h LYS 42 Ca 0.25 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.70 3mfn h LYS 42 Cb -0.06 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.16 3mfn h LYS 42 CO -0.05 0.35 -0.81 1.88 -2.00 0.00 0.00 179.45 178.82 3mfn h TYR 43 N 0.43 0.00 -0.61 0.07 0.05 -1.68 -3.02 116.97 112.21 3mfn h TYR 43 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 3mfn h TYR 43 Cb 0.07 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3mfn h TYR 43 CO 0.00 0.71 0.23 0.28 -1.05 0.00 0.00 178.16 178.33 3mfn h VAL 44 N 0.00 1.23 0.00 -2.88 2.07 -1.04 0.10 116.25 115.74 3mfn h VAL 44 Ca -0.03 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3mfn h VAL 44 Cb 1.57 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3mfn h VAL 44 CO 0.09 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.25 3mfn n LYS 45 N -4.44 0.22 0.00 1.57 5.02 -0.36 -1.03 118.16 119.14 3mfn n LYS 45 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3mfn n LYS 45 Cb 0.17 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3mfn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mfn n ALA 47 N 0.46 0.00 -0.24 7.82 0.00 0.36 -0.66 120.51 128.25 3mfn n ALA 47 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3mfn n ALA 47 Cb 0.06 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.56 3mfn n ALA 47 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mfn h GLY 48 N 0.00 0.95 1.06 0.00 0.00 -1.30 -0.75 103.07 103.03 3mfn h GLY 48 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3mfn h GLY 48 CO 0.00 0.36 -0.14 0.84 0.00 0.00 0.00 176.54 177.60 3mfn h HIS 49 N 0.91 1.06 -0.24 5.60 6.17 -1.08 -0.70 115.15 126.87 3mfn h HIS 49 Ca 0.24 -0.24 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 3mfn h HIS 49 Cb -0.07 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.59 3mfn h HIS 49 CO -0.02 1.03 -0.01 1.15 0.71 0.00 0.00 177.93 180.79 3mfn h THR 50 N 0.79 1.26 -0.23 6.26 2.02 -1.76 0.35 112.91 121.60 3mfn h THR 50 Ca 0.12 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3mfn h THR 50 Cb 0.70 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3mfn h THR 50 CO 0.05 0.29 0.10 0.00 0.37 0.00 0.00 175.52 176.34 3mfn h ALA 51 N 0.80 0.29 -0.64 6.16 0.00 -1.05 -1.43 119.26 123.39 3mfn h ALA 51 Ca 0.07 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3mfn h ALA 51 Cb 0.43 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3mfn h ALA 51 CO 0.01 -0.14 0.32 -0.92 0.00 0.00 0.00 179.25 178.52 3mfn h TYR 52 N 0.23 0.57 -0.12 0.00 3.20 -1.06 -1.28 116.97 118.50 3mfn h TYR 52 Ca 0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3mfn h TYR 52 Cb 0.14 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3mfn h TYR 52 CO -0.02 0.23 -0.01 0.77 -1.64 0.00 0.00 178.16 177.49 3mfn h SER 53 N 0.57 0.15 -0.42 -2.11 0.02 -0.49 -1.05 113.55 110.22 3mfn h SER 53 Ca 0.30 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3mfn h SER 53 Cb 0.27 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3mfn h SER 53 CO -0.23 0.20 0.08 1.23 -1.14 0.00 0.00 176.83 176.97 3mfn h GLY 54 N 0.39 0.73 0.98 -3.77 0.00 -0.17 0.68 103.07 101.92 3mfn h GLY 54 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mfn h GLY 54 CO 0.00 0.44 -0.00 -2.08 0.00 0.00 0.00 176.54 174.90 3mfn h VAL 55 N 0.54 1.01 -0.29 4.60 2.07 -0.71 -2.19 116.25 121.28 3mfn h VAL 55 Ca 0.13 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3mfn h VAL 55 Cb 0.35 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3mfn h VAL 55 CO 0.01 0.01 0.12 -0.07 0.02 0.00 0.00 177.57 177.66 3mfn h LEU 56 N -0.04 0.35 0.01 2.57 3.38 -1.03 -1.25 115.31 119.30 3mfn h LEU 56 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mfn h LEU 56 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3mfn h LEU 56 CO 0.00 0.32 -0.01 0.15 0.09 0.00 0.00 178.44 179.00 3mfn h PHE 57 N 0.40 -0.01 -0.16 1.13 3.57 -0.59 0.32 116.94 121.60 3mfn h PHE 57 Ca 0.10 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3mfn h PHE 57 Cb 0.07 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3mfn h PHE 57 CO 0.00 0.14 -0.08 0.00 -2.23 0.00 0.00 178.31 176.14 3mfn h ALA 58 N 0.82 0.05 -0.30 2.41 0.00 -1.17 -2.63 119.26 118.44 3mfn h ALA 58 Ca -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3mfn h ALA 58 Cb 0.16 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3mfn h ALA 58 CO 0.00 -0.52 -0.16 -0.07 0.00 0.00 0.00 179.25 178.50 3mfn h LEU 59 N -0.07 0.53 -1.48 0.00 3.38 -1.14 -0.36 115.31 116.18 3mfn h LEU 59 Ca 0.09 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3mfn h LEU 59 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3mfn h LEU 59 CO -0.20 0.71 0.37 0.44 0.09 0.00 0.00 178.44 179.84 3mfn h ASP 60 N 0.49 0.60 0.09 -0.43 3.32 -0.09 -1.68 116.42 118.72 3mfn h ASP 60 Ca 0.08 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.87 3mfn h ASP 60 Cb 0.56 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3mfn h ASP 60 CO 0.04 0.43 -1.29 0.45 -1.72 0.00 0.00 179.24 177.15 3mfn h HIS 61 N 0.71 0.34 -0.05 4.55 3.86 -1.20 -3.34 115.15 120.02 3mfn h HIS 61 Ca 0.21 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3mfn h HIS 61 Cb -0.01 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3mfn h HIS 61 CO -0.00 1.50 -0.09 -0.92 0.86 0.00 0.00 177.93 179.29 3mfn h TYR 62 N -0.45 0.07 0.00 2.45 3.20 -0.90 -3.39 116.97 117.94 3mfn h TYR 62 Ca -0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3mfn h TYR 62 Cb 1.64 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.89 3mfn h TYR 62 CO 0.13 0.16 0.00 1.19 -1.64 0.00 0.00 178.16 178.00 3mfn n PHE 63 N -4.40 0.00 -3.36 -3.82 3.72 -0.65 -5.09 117.46 103.87 3mfn n PHE 63 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 3mfn n PHE 63 Cb 0.19 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 3mfn n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mfn n GLY 64 N 3.66 1.66 3.69 1.37 0.00 -1.25 -5.09 105.19 109.23 3mfn n GLY 64 Ca 0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 3mfn n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mfn s LYS 65 N -2.06 3.33 -0.12 1.61 2.20 -1.26 -4.74 119.74 118.69 3mfn s LYS 65 Ca 0.07 -0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 3mfn s LYS 65 Cb -0.02 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 3mfn s LYS 65 CO 0.05 0.59 0.19 -1.59 -0.36 0.00 0.00 175.35 174.24 3mfn s LYS 66 N -0.55 3.73 0.52 4.03 -2.85 -1.26 -5.09 119.74 118.26 3mfn s LYS 66 Ca 0.10 -0.04 -0.17 0.00 -1.00 0.00 0.00 55.97 54.86 3mfn s LYS 66 Cb -0.12 -3.26 -0.07 0.00 -2.06 0.00 0.00 37.83 32.32 3mfn s LYS 66 CO 0.02 0.63 1.01 0.99 0.10 0.00 0.00 175.35 178.09 3mfn s THR 67 N -0.64 4.25 -0.39 3.79 2.01 -1.26 -4.72 115.64 118.69 3mfn s THR 67 Ca 0.15 1.14 -0.09 0.00 0.31 0.00 0.00 61.69 63.20 3mfn s THR 67 Cb -0.13 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.80 3mfn s THR 67 CO 0.04 -0.56 0.48 1.17 -0.69 0.00 0.00 174.62 175.07 3mfn n LYS 68 N -1.54 -1.62 0.00 4.92 4.81 -1.26 -5.00 118.16 118.48 3mfn n LYS 68 Ca 0.07 1.62 0.00 0.00 -0.87 0.00 0.00 58.31 59.14 3mfn n LYS 68 Cb 0.54 -4.74 0.00 0.00 0.02 0.00 0.00 35.03 30.85 3mfn n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfn n GLY 69 N -0.68 0.15 3.60 3.14 0.00 -1.26 -5.03 105.19 105.11 3mfn n GLY 69 Ca 0.07 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 3mfn n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mfn n ARG 70 N 0.35 0.90 -3.29 1.61 0.63 -1.26 -4.98 116.66 110.63 3mfn n ARG 70 Ca 0.00 0.35 -0.45 0.00 -0.92 0.00 0.00 57.85 56.82 3mfn n ARG 70 Cb 0.00 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 3mfn n ARG 70 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3mfn s LYS 71 N -2.63 3.00 0.07 -0.14 1.02 -1.26 -5.02 119.74 114.78 3mfn s LYS 71 Ca 0.74 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 55.23 3mfn s LYS 71 Cb -0.43 -4.24 0.01 0.00 -0.52 0.00 0.00 37.83 32.65 3mfn s LYS 71 CO 0.49 -1.28 0.10 -0.40 -0.92 0.00 0.00 175.35 173.33 3mfn n ASP 72 N 5.46 0.33 0.09 2.83 5.68 -1.26 -4.96 116.55 124.71 3mfn n ASP 72 Ca -0.12 -1.19 0.03 0.00 -0.50 0.00 0.00 54.79 53.00 3mfn n ASP 72 Cb 0.42 -0.05 0.40 0.00 -1.14 0.00 0.00 41.12 40.75 3mfn n ASP 72 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3mfn h VAL 73 N 0.05 1.15 -0.54 2.12 3.04 -2.01 -2.57 116.25 117.49 3mfn h VAL 73 Ca -0.03 -0.59 -0.03 0.00 -1.01 0.00 0.00 66.70 65.03 3mfn h VAL 73 Cb 0.15 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 3mfn h VAL 73 CO 0.05 0.20 0.20 0.44 -1.01 0.00 0.00 177.57 177.45 3mfn h ASP 74 N 0.32 0.75 -0.30 3.17 3.32 -1.98 -0.73 116.42 120.96 3mfn h ASP 74 Ca 0.07 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.00 3mfn h ASP 74 Cb 0.24 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3mfn h ASP 74 CO 0.01 0.73 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.99 3mfn h TRP 75 N 0.73 -0.04 -0.69 4.55 7.01 -1.83 0.87 115.95 126.55 3mfn h TRP 75 Ca 0.18 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 3mfn h TRP 75 Cb 0.22 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3mfn h TRP 75 CO 0.01 -0.07 0.21 1.88 -2.79 0.00 0.00 178.44 177.68 3mfn h TYR 76 N 0.07 1.12 -0.32 2.65 0.05 -1.38 -3.00 116.97 116.18 3mfn h TYR 76 Ca 0.15 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3mfn h TYR 76 Cb 0.20 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 3mfn h TYR 76 CO -0.23 0.90 0.19 0.87 -1.05 0.00 0.00 178.16 178.84 3mfn h LYS 77 N 1.02 0.37 -0.24 4.88 1.57 -0.21 -1.23 116.57 122.73 3mfn h LYS 77 Ca 0.22 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3mfn h LYS 77 Cb 0.32 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 3mfn h LYS 77 CO -0.01 0.25 -0.16 0.77 -0.57 0.00 0.00 179.45 179.73 3mfn h SER 78 N 0.38 -0.53 -0.33 0.86 0.02 -0.80 -0.95 113.55 112.20 3mfn h SER 78 Ca 0.12 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3mfn h SER 78 Cb -0.01 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3mfn h SER 78 CO -0.05 -0.20 0.15 0.78 -1.14 0.00 0.00 176.83 176.36 3mfn h ASN 79 N -0.15 0.44 0.35 3.07 4.21 -1.35 -2.41 115.58 119.73 3mfn h ASN 79 Ca 0.13 -0.14 -0.07 0.00 1.21 0.00 0.00 56.30 57.43 3mfn h ASN 79 Cb 0.36 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 3mfn h ASN 79 CO -0.33 0.46 -0.34 -0.07 -1.29 0.00 0.00 177.43 175.87 3mfn h LEU 80 N 0.39 0.00 -1.20 1.61 3.38 -1.07 -3.04 115.31 115.38 3mfn h LEU 80 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3mfn h LEU 80 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3mfn h LEU 80 CO -0.01 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.85 3mfn h ALA 81 N 1.66 1.00 -0.00 1.53 0.00 -0.65 -1.68 119.26 121.12 3mfn h ALA 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mfn h ALA 81 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mfn h ALA 81 CO 0.04 0.00 -0.30 1.04 0.00 0.00 0.00 179.25 180.04 3mfn n GLN 82 N -2.88 0.58 -0.01 0.00 6.02 -1.15 -4.56 117.38 115.38 3mfn n GLN 82 Ca 0.01 -0.32 -0.03 0.00 -0.01 0.00 0.00 57.00 56.65 3mfn n GLN 82 Cb 0.30 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 3mfn n GLN 82 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3mfn n GLN 83 N -0.93 0.06 -3.15 -1.09 -0.06 -0.70 -5.06 117.38 106.45 3mfn n GLN 83 Ca 0.11 0.02 0.05 0.00 -2.00 0.00 0.00 57.00 55.17 3mfn n GLN 83 Cb 0.34 -0.70 -0.01 0.00 -4.06 0.00 0.00 30.24 25.81 3mfn n GLN 83 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3mfn s ASP 84 N -5.00 -0.97 0.22 1.69 3.68 -0.82 -5.04 116.67 110.43 3mfn s ASP 84 Ca -0.04 0.41 -0.07 0.00 2.13 0.00 0.00 52.55 54.99 3mfn s ASP 84 Cb 0.01 1.74 0.18 0.00 -1.45 0.00 0.00 42.92 43.40 3mfn s ASP 84 CO 0.05 -0.18 1.72 0.50 0.13 0.00 0.00 175.17 177.39 3mfn h LYS 85 N 7.88 1.04 -0.68 4.34 3.64 -1.87 -0.70 116.57 130.21 3mfn h LYS 85 Ca -0.13 -0.27 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 3mfn h LYS 85 Cb 1.17 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 3mfn h LYS 85 CO 0.06 0.95 0.31 -0.22 -2.27 0.00 0.00 179.45 178.28 3mfn h LYS 86 N 0.97 0.50 -0.13 1.90 3.64 -1.96 -1.37 116.57 120.12 3mfn h LYS 86 Ca 0.19 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.32 3mfn h LYS 86 Cb 0.42 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3mfn h LYS 86 CO 0.01 0.33 -0.79 0.82 -2.27 0.00 0.00 179.45 177.56 3mfn h ILE 87 N 0.52 1.29 0.16 2.00 1.08 -1.71 -1.23 117.51 119.62 3mfn h ILE 87 Ca 0.34 -2.02 0.01 0.00 -0.39 0.00 0.00 64.86 62.81 3mfn h ILE 87 Cb 0.41 2.02 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 3mfn h ILE 87 CO -0.30 0.63 -0.50 0.25 -0.69 0.00 0.00 178.15 177.54 3mfn h LEU 88 N 0.49 -1.50 -1.45 1.44 5.85 -1.01 0.73 115.31 119.86 3mfn h LEU 88 Ca -0.05 0.16 0.18 0.00 0.84 0.00 0.00 57.88 59.00 3mfn h LEU 88 Cb 1.41 0.55 -0.07 0.00 0.37 0.00 0.00 40.66 42.92 3mfn h LEU 88 CO 0.16 -0.56 0.57 0.78 -0.34 0.00 0.00 178.44 179.05 3mfn h ASN 89 N -0.77 0.47 -0.42 1.25 -0.26 -1.19 0.18 115.58 114.84 3mfn h ASN 89 Ca -0.01 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.67 3mfn h ASN 89 Cb 0.76 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.96 3mfn h ASN 89 CO -0.25 0.21 -0.16 0.74 -1.06 0.00 0.00 177.43 176.90 3mfn h THR 90 N 0.49 1.28 -0.29 2.81 2.02 -0.81 -1.51 112.91 116.89 3mfn h THR 90 Ca 0.45 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3mfn h THR 90 Cb 1.00 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3mfn h THR 90 CO -0.18 0.44 -0.04 0.15 0.37 0.00 0.00 175.52 176.26 3mfn h PHE 91 N 0.68 0.60 -0.73 3.16 3.57 0.17 0.09 116.94 124.47 3mfn h PHE 91 Ca 0.10 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3mfn h PHE 91 Cb 0.71 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3mfn h PHE 91 CO 0.05 0.71 0.31 0.28 -2.23 0.00 0.00 178.31 177.43 3mfn h VAL 92 N 0.31 1.24 -0.19 1.41 2.07 -0.81 0.27 116.25 120.56 3mfn h VAL 92 Ca 0.08 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3mfn h VAL 92 Cb 0.50 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3mfn h VAL 92 CO 0.02 0.30 0.11 -1.28 0.02 0.00 0.00 177.57 176.74 3mfn h SER 93 N 1.05 0.23 -0.74 0.57 0.87 -0.90 -0.88 113.55 113.74 3mfn h SER 93 Ca 0.25 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 3mfn h SER 93 Cb 0.17 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 3mfn h SER 93 CO -0.02 0.23 0.42 0.58 -0.53 0.00 0.00 176.83 177.50 3mfn h VAL 94 N 0.21 0.95 -0.22 2.23 2.07 -0.25 0.40 116.25 121.64 3mfn h VAL 94 Ca 0.07 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.38 3mfn h VAL 94 Cb 0.05 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3mfn h VAL 94 CO -0.01 0.14 -0.06 0.22 0.02 0.00 0.00 177.57 177.87 3mfn h TYR 95 N 0.74 -0.14 -0.12 1.57 3.20 -0.19 0.17 116.97 122.21 3mfn h TYR 95 Ca 0.34 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 3mfn h TYR 95 Cb 0.25 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3mfn h TYR 95 CO -0.07 -0.11 0.07 0.93 -1.64 0.00 0.00 178.16 177.34 3mfn h GLU 96 N -0.01 0.17 0.15 1.82 4.39 -0.61 -1.31 114.58 119.17 3mfn h GLU 96 Ca 0.11 -0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.50 3mfn h GLU 96 Cb 0.18 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3mfn h GLU 96 CO -0.24 0.19 -1.21 1.96 -1.16 0.00 0.00 179.01 178.56 3mfn h GLN 97 N 0.10 0.56 0.01 2.33 1.08 -0.64 0.46 115.11 119.01 3mfn h GLN 97 Ca 0.04 -0.80 -0.31 0.00 -1.45 0.00 0.00 58.65 56.13 3mfn h GLN 97 Cb 0.07 0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 3mfn h GLN 97 CO -0.01 1.37 -1.72 1.28 -0.95 0.00 0.00 178.83 178.80 3mfn n LEU 98 N -3.84 2.02 0.07 1.46 4.32 0.58 -3.79 117.00 117.82 3mfn n LEU 98 Ca -0.14 0.35 -0.21 0.00 -0.02 0.00 0.00 56.01 56.00 3mfn n LEU 98 Cb 0.98 -0.95 -0.11 0.00 -1.62 0.00 0.00 43.42 41.72 3mfn n LEU 98 CO 0.57 0.45 0.01 -0.74 -1.22 0.00 0.00 177.39 176.46 3mfn h HIS 99 N -0.84 0.99 0.00 -1.77 2.76 -1.25 -1.14 115.15 113.90 3mfn h HIS 99 Ca -0.46 -0.58 0.00 0.00 -2.20 0.00 0.00 60.37 57.13 3mfn h HIS 99 Cb 1.49 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.36 3mfn h HIS 99 CO 0.05 1.42 -0.76 1.28 -1.30 0.00 0.00 177.93 178.62 3mfn n LEU 100 N -3.81 1.59 0.00 0.26 4.77 -0.60 -2.78 117.00 116.44 3mfn n LEU 100 Ca -0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3mfn n LEU 100 Cb 0.93 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3mfn n LEU 100 CO 0.57 -0.34 0.21 0.52 -1.33 0.00 0.00 177.39 177.02 3mfn n VAL 101 N -4.15 0.00 0.00 4.08 0.31 0.14 -1.01 118.33 117.71 3mfn n VAL 101 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3mfn n VAL 101 Cb 0.39 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 3mfn n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mfn n ALA 103 N -0.92 0.00 -0.13 3.52 0.00 -0.43 -1.54 120.51 121.01 3mfn n ALA 103 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3mfn n ALA 103 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3mfn n ALA 103 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3mfn n TYR 104 N -0.24 0.12 0.28 0.00 9.36 -0.86 -4.65 117.16 121.17 3mfn n TYR 104 Ca 0.00 0.05 0.12 0.00 3.32 0.00 0.00 57.90 61.39 3mfn n TYR 104 Cb 0.00 -1.00 0.13 0.00 -0.63 0.00 0.00 39.34 37.84 3mfn n TYR 104 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3mfn h ASP 105 N -1.00 0.00 -0.48 2.98 3.32 -0.99 -3.48 116.42 116.76 3mfn h ASP 105 Ca -0.65 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.25 3mfn h ASP 105 Cb 1.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.09 3mfn h ASP 105 CO -0.39 0.02 -0.12 0.61 -1.72 0.00 0.00 179.24 177.63 3mfn n GLY 106 N 1.19 0.54 3.50 2.75 0.00 -0.60 -5.00 105.19 107.56 3mfn n GLY 106 Ca 0.03 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3mfn n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mfn s VAL 107 N -2.24 4.58 -0.65 1.61 1.01 -0.59 -4.64 120.40 119.49 3mfn s VAL 107 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3mfn s VAL 107 Cb 0.00 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.41 3mfn s VAL 107 CO 0.00 0.33 0.49 0.61 0.00 0.00 0.00 175.10 176.53 3mfn n GLY 108 N 4.83 3.76 3.60 4.51 0.00 -1.26 -4.93 105.19 115.70 3mfn n GLY 108 Ca -0.16 -2.38 -0.43 0.00 0.00 0.00 0.00 46.02 43.05 3mfn n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mfn s ASP 109 N -1.30 6.26 0.23 1.61 -1.08 -1.26 -1.19 116.67 119.94 3mfn s ASP 109 Ca 0.27 0.83 -0.06 0.00 -0.52 0.00 0.00 52.55 53.08 3mfn s ASP 109 Cb -0.01 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.28 3mfn s ASP 109 CO -0.16 -1.50 1.78 0.00 0.52 0.00 0.00 175.17 175.81 3mfn h ALA 110 N 11.03 1.05 -0.71 3.66 0.00 -1.33 0.81 119.26 133.77 3mfn h ALA 110 Ca -0.28 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3mfn h ALA 110 Cb 1.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3mfn h ALA 110 CO 1.09 -0.03 0.17 0.93 0.00 0.00 0.00 179.25 181.41 3mfn h GLU 111 N 0.63 1.13 -0.16 0.00 5.08 -1.92 0.03 114.58 119.38 3mfn h GLU 111 Ca 0.37 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3mfn h GLU 111 Cb 0.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3mfn h GLU 111 CO -0.28 1.00 -0.03 0.28 -1.00 0.00 0.00 179.01 178.98 3mfn h VAL 112 N 1.07 1.28 -0.52 3.13 2.07 -1.69 -2.45 116.25 119.15 3mfn h VAL 112 Ca 0.22 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.85 3mfn h VAL 112 Cb 0.38 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3mfn h VAL 112 CO 0.00 0.29 0.09 0.58 0.02 0.00 0.00 177.57 178.55 3mfn h VAL 113 N 0.01 0.69 -0.62 2.57 2.07 -0.67 0.12 116.25 120.42 3mfn h VAL 113 Ca 0.04 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3mfn h VAL 113 Cb 0.46 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3mfn h VAL 113 CO 0.01 0.04 0.34 0.50 0.02 0.00 0.00 177.57 178.48 3mfn h LYS 114 N 0.22 0.61 -0.65 1.57 3.64 -0.88 0.11 116.57 121.19 3mfn h LYS 114 Ca 0.26 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3mfn h LYS 114 Cb 0.37 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3mfn h LYS 114 CO -0.35 0.40 0.36 -0.07 -2.27 0.00 0.00 179.45 177.52 3mfn h LEU 115 N 0.63 0.80 -0.81 5.20 4.07 -0.81 -0.35 115.31 124.05 3mfn h LEU 115 Ca 0.28 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 3mfn h LEU 115 Cb 0.18 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 3mfn h LEU 115 CO -0.18 0.65 0.31 1.23 -1.08 0.00 0.00 178.44 179.38 3mfn h GLY 116 N 0.88 1.28 1.28 0.83 0.00 0.14 -0.90 103.07 106.59 3mfn h GLY 116 Ca 0.23 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3mfn h GLY 116 CO -0.04 0.66 -0.16 0.74 0.00 0.00 0.00 176.54 177.75 3mfn h PHE 117 N 1.16 0.94 -0.84 5.60 -1.00 -0.66 -1.00 116.94 121.14 3mfn h PHE 117 Ca 0.27 -0.20 0.06 0.00 2.81 0.00 0.00 57.97 60.91 3mfn h PHE 117 Cb 0.22 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.49 3mfn h PHE 117 CO 0.02 0.94 0.51 1.96 -1.61 0.00 0.00 178.31 180.13 3mfn h GLN 118 N 0.75 0.91 -0.49 1.51 4.20 -0.54 0.16 115.11 121.61 3mfn h GLN 118 Ca 0.11 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3mfn h GLN 118 Cb 0.67 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3mfn h GLN 118 CO 0.05 0.60 -0.09 0.00 -0.67 0.00 0.00 178.83 178.72 3mfn h ARG 119 N 0.93 0.88 -0.35 1.46 2.47 -0.79 -1.25 114.38 117.74 3mfn h ARG 119 Ca 0.37 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 3mfn h ARG 119 Cb 0.19 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3mfn h ARG 119 CO -0.18 0.94 0.06 0.00 0.56 0.00 0.00 179.97 181.35 3mfn h ALA 120 N 1.09 0.46 -0.05 0.04 0.00 -0.56 -2.19 119.26 118.06 3mfn h ALA 120 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mfn h ALA 120 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mfn h ALA 120 CO 0.04 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.97 3mfn h GLU 121 N 0.41 0.03 -0.24 0.00 4.81 -0.49 -0.96 114.58 118.14 3mfn h GLU 121 Ca 0.11 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 3mfn h GLU 121 Cb 0.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3mfn h GLU 121 CO 0.01 0.02 -0.55 0.82 -0.73 0.00 0.00 179.01 178.57 3mfn h ILE 122 N 0.03 1.29 -0.32 2.32 1.08 -0.96 -2.23 117.51 118.72 3mfn h ILE 122 Ca 0.02 -1.75 -0.15 0.00 -0.39 0.00 0.00 64.86 62.59 3mfn h ILE 122 Cb 0.06 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 3mfn h ILE 122 CO -0.00 0.56 -0.41 0.40 -0.69 0.00 0.00 178.15 178.01 3mfn h ILE 123 N 0.55 1.28 -0.05 -0.67 2.04 -0.69 -0.54 117.51 119.44 3mfn h ILE 123 Ca -0.00 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 3mfn h ILE 123 Cb 1.16 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3mfn h ILE 123 CO 0.12 0.52 0.01 0.40 0.00 0.00 0.00 178.15 179.20 3mfn h ILE 124 N 0.64 1.19 0.00 -0.67 1.08 -1.23 -1.80 117.51 116.72 3mfn h ILE 124 Ca 0.05 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3mfn h ILE 124 Cb 0.96 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3mfn h ILE 124 CO 0.09 0.16 -0.13 0.44 -0.69 0.00 0.00 178.15 178.02 3mfn h ASP 125 N -0.14 0.00 0.50 1.72 3.32 -1.35 -1.37 116.42 119.10 3mfn h ASP 125 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3mfn h ASP 125 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3mfn h ASP 125 CO 0.00 0.13 -0.24 -0.25 -1.72 0.00 0.00 179.24 177.16 3mfn h TRP 126 N 0.00 -0.62 -1.05 4.55 7.01 -0.95 -1.20 115.95 123.69 3mfn h TRP 126 Ca -0.00 -0.01 0.33 0.00 2.11 0.00 0.00 58.89 61.32 3mfn h TRP 126 Cb 0.36 0.21 -0.14 0.00 -2.10 0.00 0.00 29.16 27.48 3mfn h TRP 126 CO 0.00 -0.39 0.62 0.28 -2.79 0.00 0.00 178.44 176.16 3mfn h VAL 127 N -1.16 0.30 -0.12 2.65 2.07 -0.99 0.13 116.25 119.13 3mfn h VAL 127 Ca -0.07 -0.10 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 3mfn h VAL 127 Cb 0.51 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3mfn h VAL 127 CO 0.11 0.05 -0.82 -0.08 0.02 0.00 0.00 177.57 176.85 3mfn h GLU 128 N 0.30 0.74 -0.08 1.57 4.81 -1.27 -1.90 114.58 118.73 3mfn h GLU 128 Ca 0.73 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3mfn h GLU 128 Cb 1.78 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.30 3mfn h GLU 128 CO -0.55 1.24 0.02 -0.09 -0.73 0.00 0.00 179.01 178.90 3mfn h ARG 129 N 0.49 0.13 -0.12 1.92 2.43 0.43 -3.24 114.38 116.42 3mfn h ARG 129 Ca -0.06 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3mfn h ARG 129 Cb 1.45 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3mfn h ARG 129 CO 0.16 0.31 0.04 0.00 -1.51 0.00 0.00 179.97 178.97 3mfn h ARG 130 N -0.06 0.09 0.00 0.20 2.47 -0.86 -3.51 114.38 112.71 3mfn h ARG 130 Ca 0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3mfn h ARG 130 Cb 0.23 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3mfn h ARG 130 CO -0.00 0.06 0.00 -0.11 0.56 0.00 0.00 179.97 180.48