#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfn s SER 8 N 0.00 3.32 0.12 -1.43 1.04 -1.26 -4.81 113.70 110.68 3mfn s SER 8 Ca 0.00 1.60 -0.22 0.00 0.48 0.00 0.00 55.95 57.82 3mfn s SER 8 Cb 0.00 -2.26 -0.06 0.00 0.10 0.00 0.00 66.02 63.80 3mfn s SER 8 CO 0.00 -2.75 1.70 0.00 0.98 0.00 0.00 173.24 173.17 3mfn h ALA 9 N -1.63 0.03 -0.54 5.32 0.00 -2.00 -0.58 119.26 119.87 3mfn h ALA 9 Ca -0.49 0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3mfn h ALA 9 Cb 1.28 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 3mfn h ALA 9 CO 0.52 -0.52 -0.04 1.96 0.00 0.00 0.00 179.25 181.17 3mfn h GLN 10 N -0.06 0.07 -0.59 0.00 7.50 -1.96 -2.12 115.11 117.94 3mfn h GLN 10 Ca 0.07 -0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.14 3mfn h GLN 10 Cb 0.16 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 3mfn h GLN 10 CO -0.15 0.05 0.09 0.93 -1.50 0.00 0.00 178.83 178.25 3mfn h GLU 11 N 0.08 0.95 -0.44 1.46 5.08 -1.70 -1.71 114.58 118.30 3mfn h GLU 11 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3mfn h GLU 11 Cb 0.42 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3mfn h GLU 11 CO -0.49 0.88 0.18 0.00 -1.00 0.00 0.00 179.01 178.59 3mfn h ALA 12 N 1.20 0.57 -0.57 3.43 0.00 -0.49 -1.09 119.26 122.30 3mfn h ALA 12 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3mfn h ALA 12 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mfn h ALA 12 CO 0.01 0.17 0.15 0.28 0.00 0.00 0.00 179.25 179.85 3mfn h VAL 13 N 0.57 1.25 -0.68 0.00 2.07 -1.43 0.13 116.25 118.16 3mfn h VAL 13 Ca 0.15 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3mfn h VAL 13 Cb 0.18 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3mfn h VAL 13 CO -0.01 0.33 0.45 0.40 0.02 0.00 0.00 177.57 178.75 3mfn h ILE 14 N 0.82 1.18 -0.43 4.57 2.04 -1.05 -1.13 117.51 123.51 3mfn h ILE 14 Ca 0.18 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3mfn h ILE 14 Cb 0.33 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3mfn h ILE 14 CO 0.00 0.17 0.07 -0.08 0.00 0.00 0.00 178.15 178.31 3mfn h GLU 15 N 0.92 0.71 -0.49 2.37 4.57 -0.98 0.06 114.58 121.75 3mfn h GLU 15 Ca 0.25 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3mfn h GLU 15 Cb -0.10 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.33 3mfn h GLU 15 CO -0.05 0.74 -0.00 0.00 -1.18 0.00 0.00 179.01 178.52 3mfn h ALA 16 N 0.94 0.46 0.00 2.92 0.00 -0.45 -1.79 119.26 121.32 3mfn h ALA 16 Ca 0.13 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3mfn h ALA 16 Cb 0.38 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3mfn h ALA 16 CO 0.01 -0.39 -0.46 0.87 0.00 0.00 0.00 179.25 179.28 3mfn h LYS 17 N 0.11 0.00 -0.93 0.00 1.57 -0.87 -2.07 116.57 114.38 3mfn h LYS 17 Ca 0.24 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3mfn h LYS 17 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3mfn h LYS 17 CO -0.41 0.46 0.61 -0.09 -0.57 0.00 0.00 179.45 179.46 3mfn h ARG 18 N 0.00 1.23 -0.03 3.15 2.43 -0.28 -0.72 114.38 120.15 3mfn h ARG 18 Ca -0.00 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3mfn h ARG 18 Cb 0.92 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3mfn h ARG 18 CO 0.06 0.82 0.01 1.88 -1.51 0.00 0.00 179.97 181.22 3mfn h TYR 19 N 1.27 0.06 -0.67 2.20 0.05 -0.67 -0.31 116.97 118.90 3mfn h TYR 19 Ca 0.34 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.16 3mfn h TYR 19 Cb -0.14 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.53 3mfn h TYR 19 CO 0.00 0.30 0.39 1.25 -1.05 0.00 0.00 178.16 179.05 3mfn h LEU 20 N -0.19 0.62 -0.56 3.88 5.85 -1.32 -1.03 115.31 122.56 3mfn h LEU 20 Ca 0.01 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3mfn h LEU 20 Cb 0.27 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3mfn h LEU 20 CO 0.00 0.42 -0.55 0.78 -0.34 0.00 0.00 178.44 178.75 3mfn h ASN 21 N 0.75 0.55 -0.65 1.25 2.35 -1.08 -2.39 115.58 116.35 3mfn h ASN 21 Ca 0.28 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3mfn h ASN 21 Cb 0.10 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3mfn h ASN 21 CO -0.14 0.99 0.40 -1.13 -1.65 0.00 0.00 177.43 175.89 3mfn h ASN 22 N 0.38 0.64 -0.59 5.81 -0.00 -0.56 -1.16 115.58 120.11 3mfn h ASN 22 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.31 3mfn h ASN 22 Cb 1.08 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 39.24 3mfn h ASN 22 CO 0.10 0.44 0.35 0.00 -0.00 0.00 0.00 177.43 178.33 3mfn h ALA 23 N 1.29 0.75 -0.58 1.57 0.00 -0.93 -0.38 119.26 120.98 3mfn h ALA 23 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3mfn h ALA 23 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3mfn h ALA 23 CO -0.11 0.23 0.23 0.87 0.00 0.00 0.00 179.25 180.47 3mfn h LYS 24 N 0.79 0.86 -0.90 0.00 1.57 -0.92 -1.99 116.57 115.99 3mfn h LYS 24 Ca 0.21 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3mfn h LYS 24 Cb -0.02 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3mfn h LYS 24 CO -0.04 0.74 0.55 -0.44 -0.57 0.00 0.00 179.45 179.69 3mfn h ASP 25 N 0.79 1.07 -0.83 0.86 3.32 -0.91 -1.97 116.42 118.76 3mfn h ASP 25 Ca 0.19 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3mfn h ASP 25 Cb 0.20 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3mfn h ASP 25 CO -0.02 0.82 0.50 0.40 -1.72 0.00 0.00 179.24 179.22 3mfn h ILE 26 N 1.23 1.23 -0.34 0.35 2.04 -0.51 0.05 117.51 121.56 3mfn h ILE 26 Ca 0.32 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3mfn h ILE 26 Cb -0.07 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 3mfn h ILE 26 CO -0.06 0.24 -0.18 -0.07 0.00 0.00 0.00 178.15 178.08 3mfn h LEU 27 N 1.13 0.75 -0.35 1.44 3.38 -1.10 0.25 115.31 120.83 3mfn h LEU 27 Ca 0.30 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3mfn h LEU 27 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3mfn h LEU 27 CO -0.06 1.00 0.09 -0.09 0.09 0.00 0.00 178.44 179.47 3mfn h ARG 28 N 0.51 0.55 0.04 1.13 2.43 -1.13 -0.29 114.38 117.62 3mfn h ARG 28 Ca 0.08 -0.13 -0.27 0.00 -0.81 0.00 0.00 59.98 58.84 3mfn h ARG 28 Cb 0.72 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3mfn h ARG 28 CO 0.05 0.60 -1.41 -0.44 -1.51 0.00 0.00 179.97 177.26 3mfn h ASP 29 N 0.41 0.15 0.00 -3.80 3.32 -0.87 -3.42 116.42 112.20 3mfn h ASP 29 Ca 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3mfn h ASP 29 Cb 0.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3mfn h ASP 29 CO 0.00 1.17 0.00 0.29 -1.72 0.00 0.00 179.24 178.99 3mfn n LYS 30 N -3.30 1.92 0.29 3.56 4.01 0.85 -4.78 118.16 120.70 3mfn n LYS 30 Ca -0.11 -0.06 0.17 0.00 -0.51 0.00 0.00 58.31 57.79 3mfn n LYS 30 Cb 1.01 -0.36 0.83 0.00 -0.51 0.00 0.00 35.03 36.00 3mfn n LYS 30 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 3mfn h GLY 31 N 0.00 0.00 -4.48 0.72 0.00 -0.51 -3.43 103.07 95.37 3mfn h GLY 31 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3mfn h GLY 31 CO 0.00 0.00 -0.52 0.61 0.00 0.00 0.00 176.54 176.63 3mfn n GLY 32 N -0.52 -0.13 3.77 4.60 0.00 -1.26 -1.39 105.19 110.26 3mfn n GLY 32 Ca -0.01 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3mfn n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mfn s LYS 33 N -4.86 4.21 -0.30 1.61 2.20 -1.26 -1.83 119.74 119.52 3mfn s LYS 33 Ca 0.02 2.42 -0.04 0.00 -0.36 0.00 0.00 55.97 58.01 3mfn s LYS 33 Cb -0.00 -3.03 0.18 0.00 -1.51 0.00 0.00 37.83 33.47 3mfn s LYS 33 CO 0.49 -0.42 0.65 -2.00 -0.36 0.00 0.00 175.35 173.71 3mfn s GLU 34 N -1.49 0.54 -1.22 4.03 2.12 -0.47 -4.91 118.70 117.29 3mfn s GLU 34 Ca 0.54 1.02 -0.08 0.00 0.36 0.00 0.00 54.97 56.81 3mfn s GLU 34 Cb -0.44 0.57 0.01 0.00 0.26 0.00 0.00 34.13 34.54 3mfn s GLU 34 CO 0.55 -0.52 1.07 -0.25 -0.54 0.00 0.00 175.26 175.57 3mfn n ASP 35 N 5.43 -5.87 0.00 -1.70 8.00 -1.26 -2.40 116.55 118.74 3mfn n ASP 35 Ca -0.03 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3mfn n ASP 35 Cb 0.51 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 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 -1.85 0.84 2.98 0.44 0.00 -1.26 -5.03 105.19 101.31 3mfn n GLY 36 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.30 1.34 0.04 1.61 0.08 -1.01 -0.95 117.98 115.79 3mfn s PHE 37 Ca 0.00 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.22 3mfn s PHE 37 Cb 0.00 -1.04 -0.07 0.00 -0.57 0.00 0.00 43.02 41.35 3mfn s PHE 37 CO 0.00 -0.31 1.51 0.71 -0.10 0.00 0.00 175.22 177.02 3mfn s TYR 38 N 0.93 2.71 -0.23 0.36 2.02 -0.24 -1.37 117.35 121.53 3mfn s TYR 38 Ca -0.10 0.62 0.21 0.00 -0.37 0.00 0.00 57.07 57.43 3mfn s TYR 38 Cb -0.15 -3.79 0.01 0.00 -0.40 0.00 0.00 41.96 37.63 3mfn s TYR 38 CO 0.01 -3.05 1.08 1.96 -1.57 0.00 0.00 175.55 173.98 3mfn h GLN 39 N 7.94 0.00 -4.11 -0.62 1.08 -0.45 -3.42 115.11 115.54 3mfn h GLN 39 Ca -0.40 0.00 -0.75 0.00 -1.45 0.00 0.00 58.65 56.04 3mfn h GLN 39 Cb 1.19 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.36 3mfn h GLN 39 CO 0.91 0.09 -0.23 0.34 -0.95 0.00 0.00 178.83 178.98 3mfn s ASP 40 N -5.61 6.11 0.32 1.46 3.68 -0.77 -4.92 116.67 116.95 3mfn s ASP 40 Ca 0.00 -1.92 0.04 0.00 2.13 0.00 0.00 52.55 52.79 3mfn s ASP 40 Cb 0.09 -2.16 0.64 0.00 -1.45 0.00 0.00 42.92 40.04 3mfn s ASP 40 CO 0.78 -0.78 1.90 0.28 0.13 0.00 0.00 175.17 177.48 3mfn h SER 41 N 8.65 0.81 -0.65 -0.34 0.02 -1.85 -1.75 113.55 118.43 3mfn h SER 41 Ca -0.24 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.82 3mfn h SER 41 Cb 1.09 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 3mfn h SER 41 CO 0.96 0.48 0.29 0.50 -1.14 0.00 0.00 176.83 177.93 3mfn h LYS 42 N 0.90 0.49 0.00 3.45 3.64 -1.91 -0.15 116.57 122.99 3mfn h LYS 42 Ca 0.40 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 3mfn h LYS 42 Cb 0.36 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3mfn h LYS 42 CO -0.17 0.32 -0.61 1.88 -2.27 0.00 0.00 179.45 178.61 3mfn h TYR 43 N 0.51 0.00 -0.54 1.91 0.05 -1.66 -3.09 116.97 114.14 3mfn h TYR 43 Ca 0.32 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.05 3mfn h TYR 43 Cb 0.36 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3mfn h TYR 43 CO -0.13 0.61 0.13 0.28 -1.05 0.00 0.00 178.16 177.99 3mfn h VAL 44 N 0.00 1.25 0.00 -2.88 2.07 -0.88 0.05 116.25 115.85 3mfn h VAL 44 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3mfn h VAL 44 Cb 1.43 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3mfn h VAL 44 CO 0.08 0.32 0.00 0.29 0.02 0.00 0.00 177.57 178.28 3mfn n LYS 45 N -4.41 0.04 0.00 1.57 5.02 -0.11 -1.04 118.16 119.22 3mfn n LYS 45 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3mfn n LYS 45 Cb 0.24 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.40 0.00 -0.15 7.82 0.00 0.00 -1.35 120.51 127.23 3mfn n ALA 47 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3mfn n ALA 47 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 0.65 1.28 0.00 0.00 -1.33 -1.00 103.07 102.67 3mfn h GLY 48 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3mfn h GLY 48 CO 0.00 0.25 -0.11 0.84 0.00 0.00 0.00 176.54 177.52 3mfn h HIS 49 N 0.62 0.94 -0.04 5.60 6.17 -1.40 -1.31 115.15 125.73 3mfn h HIS 49 Ca 0.17 -0.18 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 3mfn h HIS 49 Cb -0.04 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 29.65 3mfn h HIS 49 CO -0.04 0.91 -0.01 1.15 0.71 0.00 0.00 177.93 180.66 3mfn h THR 50 N 0.77 1.29 0.01 6.26 2.02 -1.76 0.15 112.91 121.66 3mfn h THR 50 Ca 0.13 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3mfn h THR 50 Cb 0.62 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3mfn h THR 50 CO 0.04 0.24 -0.03 0.00 0.37 0.00 0.00 175.52 176.14 3mfn h ALA 51 N 0.65 -0.04 -0.89 6.16 0.00 -1.16 -1.45 119.26 122.53 3mfn h ALA 51 Ca 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mfn h ALA 51 Cb 0.39 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3mfn h ALA 51 CO 0.00 -0.53 0.58 -0.92 0.00 0.00 0.00 179.25 178.38 3mfn h TYR 52 N -0.06 1.09 -0.17 0.00 3.20 -1.17 -2.03 116.97 117.83 3mfn h TYR 52 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3mfn h TYR 52 Cb 0.07 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3mfn h TYR 52 CO -0.10 0.65 -0.09 0.77 -1.64 0.00 0.00 178.16 177.75 3mfn h SER 53 N 1.15 0.24 -0.40 -2.11 0.02 -0.22 -1.31 113.55 110.91 3mfn h SER 53 Ca 0.34 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3mfn h SER 53 Cb -0.04 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3mfn h SER 53 CO -0.10 0.36 0.16 1.23 -1.14 0.00 0.00 176.83 177.35 3mfn h GLY 54 N 0.69 0.65 0.37 -3.77 0.00 -0.57 0.32 103.07 100.76 3mfn h GLY 54 Ca 0.05 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.09 3mfn h GLY 54 CO 0.02 0.33 -0.12 -2.08 0.00 0.00 0.00 176.54 174.69 3mfn h VAL 55 N 0.51 0.62 -0.22 4.60 2.07 -1.02 -2.33 116.25 120.48 3mfn h VAL 55 Ca 0.14 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 3mfn h VAL 55 Cb 0.18 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3mfn h VAL 55 CO -0.01 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.30 3mfn h LEU 56 N -0.09 0.39 -0.63 2.57 3.38 -1.08 -1.58 115.31 118.28 3mfn h LEU 56 Ca 0.13 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mfn h LEU 56 Cb 0.29 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3mfn h LEU 56 CO -0.31 0.61 0.38 0.15 0.09 0.00 0.00 178.44 179.37 3mfn h PHE 57 N 0.36 0.72 0.07 1.13 3.57 -0.70 0.51 116.94 122.60 3mfn h PHE 57 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3mfn h PHE 57 Cb 0.57 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3mfn h PHE 57 CO 0.02 0.41 -0.03 0.00 -2.23 0.00 0.00 178.31 176.47 3mfn h ALA 58 N 1.28 -0.09 -0.92 2.41 0.00 -0.86 -2.89 119.26 118.19 3mfn h ALA 58 Ca 0.26 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3mfn h ALA 58 Cb 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3mfn h ALA 58 CO -0.11 -0.39 0.61 -0.07 0.00 0.00 0.00 179.25 179.29 3mfn h LEU 59 N -0.41 1.04 -1.14 0.00 3.38 -1.01 -2.34 115.31 114.83 3mfn h LEU 59 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3mfn h LEU 59 Cb 0.36 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3mfn h LEU 59 CO 0.01 0.73 0.59 0.44 0.09 0.00 0.00 178.44 180.30 3mfn h ASP 60 N 1.21 0.97 1.85 -0.43 3.32 0.06 0.18 116.42 123.59 3mfn h ASP 60 Ca 0.35 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3mfn h ASP 60 Cb -0.08 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 3mfn h ASP 60 CO -0.09 0.68 -0.14 0.45 -1.72 0.00 0.00 179.24 178.42 3mfn h HIS 61 N 1.13 0.00 0.00 4.55 3.86 -1.22 -2.03 115.15 121.45 3mfn h HIS 61 Ca 0.35 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.51 3mfn h HIS 61 Cb -0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3mfn h HIS 61 CO -0.00 0.14 -0.29 -0.92 0.86 0.00 0.00 177.93 177.72 3mfn h TYR 62 N 0.00 0.00 0.00 2.45 3.20 -0.96 -3.39 116.97 118.27 3mfn h TYR 62 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3mfn h TYR 62 Cb 1.10 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3mfn h TYR 62 CO 0.00 1.09 -0.06 0.74 -1.64 0.00 0.00 178.16 178.29 3mfn h PHE 63 N -1.00 0.00 0.00 -3.82 0.04 -0.71 -3.50 116.94 107.95 3mfn h PHE 63 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3mfn h PHE 63 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3mfn h PHE 63 CO 0.23 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 3mfn n GLY 64 N 1.03 -0.31 3.89 -1.45 0.00 -0.76 -4.93 105.19 102.65 3mfn n GLY 64 Ca 0.03 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 3mfn n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfn s LYS 65 N 0.00 3.43 0.12 1.61 3.01 -1.26 -4.83 119.74 121.82 3mfn s LYS 65 Ca 0.00 -0.23 -0.30 0.00 -1.01 0.00 0.00 55.97 54.43 3mfn s LYS 65 Cb 0.00 -3.14 -0.06 0.00 -1.01 0.00 0.00 37.83 33.62 3mfn s LYS 65 CO 0.00 0.72 1.07 0.21 0.51 0.00 0.00 175.35 177.87 3mfn s LYS 66 N -1.50 4.58 0.07 1.68 2.20 -1.26 -4.97 119.74 120.55 3mfn s LYS 66 Ca 0.21 1.63 -0.21 0.00 -0.36 0.00 0.00 55.97 57.24 3mfn s LYS 66 Cb -0.12 -3.34 -0.12 0.00 -1.51 0.00 0.00 37.83 32.74 3mfn s LYS 66 CO 0.12 0.02 1.57 1.79 -0.36 0.00 0.00 175.35 178.49 3mfn h THR 67 N 4.08 1.19 -4.54 3.43 1.35 -2.00 -3.44 112.91 112.98 3mfn h THR 67 Ca -0.43 -0.58 -0.68 0.00 -0.55 0.00 0.00 66.41 64.17 3mfn h THR 67 Cb 1.21 1.33 -0.30 0.00 -1.73 0.00 0.00 68.15 68.67 3mfn h THR 67 CO 0.74 0.17 -0.88 -0.54 -0.25 0.00 0.00 175.52 174.77 3mfn s LYS 68 N -5.34 1.99 3.34 4.72 1.02 -1.26 -5.09 119.74 119.12 3mfn s LYS 68 Ca -0.14 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 54.94 3mfn s LYS 68 Cb 0.06 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3mfn s LYS 68 CO 0.70 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 176.07 3mfn n GLY 69 N 2.40 0.23 3.57 -3.33 0.00 -1.26 -4.87 105.19 101.92 3mfn n GLY 69 Ca -0.16 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 3mfn n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfn s ARG 70 N 0.00 2.07 0.67 1.61 0.52 -1.26 -4.93 118.95 117.63 3mfn s ARG 70 Ca 0.00 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.90 3mfn s ARG 70 Cb 0.00 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3mfn s ARG 70 CO 0.00 0.47 1.14 0.15 0.02 0.00 0.00 175.30 177.08 3mfn s LYS 71 N -2.51 2.64 0.13 3.54 1.02 -1.26 -5.04 119.74 118.26 3mfn s LYS 71 Ca 0.23 1.54 -0.02 0.00 0.02 0.00 0.00 55.97 57.74 3mfn s LYS 71 Cb -0.10 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3mfn s LYS 71 CO 0.14 -1.40 0.21 -0.40 -0.92 0.00 0.00 175.35 172.98 3mfn n ASP 72 N -2.39 -0.60 -0.09 2.83 3.85 -1.26 -5.02 116.55 113.86 3mfn n ASP 72 Ca 0.12 -1.66 0.05 0.00 -0.71 0.00 0.00 54.79 52.59 3mfn n ASP 72 Cb 0.51 1.07 0.38 0.00 -1.35 0.00 0.00 41.12 41.74 3mfn n ASP 72 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.20 177.81 3mfn h VAL 73 N 1.37 1.08 -0.08 2.12 3.04 -2.00 -1.75 116.25 120.03 3mfn h VAL 73 Ca -0.11 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.24 3mfn h VAL 73 Cb 0.44 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 3mfn h VAL 73 CO 0.14 0.12 -0.45 0.44 -1.01 0.00 0.00 177.57 176.82 3mfn h ASP 74 N 0.68 0.19 -0.53 3.17 3.32 -1.98 -0.30 116.42 120.98 3mfn h ASP 74 Ca 0.23 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3mfn h ASP 74 Cb 0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3mfn h ASP 74 CO -0.06 0.62 0.12 -0.25 -1.72 0.00 0.00 179.24 177.95 3mfn h TRP 75 N 0.15 0.90 -0.23 4.55 7.01 -1.72 0.76 115.95 127.37 3mfn h TRP 75 Ca 0.01 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.84 3mfn h TRP 75 Cb 0.86 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 3mfn h TRP 75 CO 0.01 0.79 -0.10 1.88 -2.79 0.00 0.00 178.44 178.23 3mfn h TYR 76 N 0.74 0.54 -0.26 2.65 0.05 -1.27 -1.78 116.97 117.64 3mfn h TYR 76 Ca 0.16 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.87 3mfn h TYR 76 Cb 0.35 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 3mfn h TYR 76 CO 0.02 0.74 -0.06 0.87 -1.05 0.00 0.00 178.16 178.68 3mfn h LYS 77 N 0.19 0.01 0.10 4.88 1.57 -0.98 0.46 116.57 122.79 3mfn h LYS 77 Ca 0.05 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3mfn h LYS 77 Cb 0.59 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3mfn h LYS 77 CO 0.03 0.00 -0.16 0.77 -0.57 0.00 0.00 179.45 179.52 3mfn h SER 78 N 0.01 -0.44 -0.94 0.86 0.02 -0.77 0.27 113.55 112.56 3mfn h SER 78 Ca 0.13 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3mfn h SER 78 Cb 0.19 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 3mfn h SER 78 CO -0.26 -0.23 0.61 0.78 -1.14 0.00 0.00 176.83 176.59 3mfn h ASN 79 N -0.32 1.00 0.10 3.07 2.35 -0.96 -2.77 115.58 118.05 3mfn h ASN 79 Ca 0.02 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 3mfn h ASN 79 Cb 0.33 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3mfn h ASN 79 CO -0.09 0.67 -0.78 -0.07 -1.65 0.00 0.00 177.43 175.51 3mfn h LEU 80 N 1.15 0.68 -1.24 1.61 3.38 -0.50 -3.27 115.31 117.11 3mfn h LEU 80 Ca 0.39 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3mfn h LEU 80 Cb 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3mfn h LEU 80 CO -0.13 1.22 0.56 0.00 0.09 0.00 0.00 178.44 180.18 3mfn h ALA 81 N 0.76 1.65 -0.57 1.53 0.00 -0.18 -0.81 119.26 121.63 3mfn h ALA 81 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3mfn h ALA 81 Cb 1.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3mfn h ALA 81 CO 0.14 0.19 -0.00 1.96 0.00 0.00 0.00 179.25 181.54 3mfn h GLN 82 N 0.86 1.00 0.15 0.00 4.20 -1.59 -3.35 115.11 116.38 3mfn h GLN 82 Ca 0.39 -0.31 -0.33 0.00 0.06 0.00 0.00 58.65 58.47 3mfn h GLN 82 Cb 0.37 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3mfn h GLN 82 CO -0.16 0.98 -1.66 1.96 -0.67 0.00 0.00 178.83 179.28 3mfn h GLN 83 N 0.92 0.33 -0.90 1.46 7.50 -1.37 -3.49 115.11 119.55 3mfn h GLN 83 Ca 0.17 -0.56 0.19 0.00 0.50 0.00 0.00 58.65 58.95 3mfn h GLN 83 Cb 0.54 0.21 -0.28 0.00 0.05 0.00 0.00 27.48 27.99 3mfn h GLN 83 CO 0.03 1.27 0.49 0.34 -1.50 0.00 0.00 178.83 179.46 3mfn s ASP 84 N -7.18 -0.28 0.16 1.46 3.68 -0.40 -5.07 116.67 109.04 3mfn s ASP 84 Ca -0.18 0.41 -0.10 0.00 2.13 0.00 0.00 52.55 54.81 3mfn s ASP 84 Cb 0.05 1.22 0.00 0.00 -1.45 0.00 0.00 42.92 42.75 3mfn s ASP 84 CO 0.81 -0.06 1.51 0.50 0.13 0.00 0.00 175.17 178.06 3mfn h LYS 85 N 6.39 0.92 -0.29 4.34 3.64 -1.82 -1.87 116.57 127.88 3mfn h LYS 85 Ca -0.21 -0.46 -0.12 0.00 -1.27 0.00 0.00 60.65 58.60 3mfn h LYS 85 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3mfn h LYS 85 CO 0.15 1.11 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.91 3mfn h LYS 86 N 0.76 0.60 -0.35 1.90 3.64 -1.97 -0.08 116.57 121.08 3mfn h LYS 86 Ca 0.07 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 3mfn h LYS 86 Cb 0.92 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3mfn h LYS 86 CO 0.09 0.84 -0.30 0.82 -2.27 0.00 0.00 179.45 178.62 3mfn h ILE 87 N 0.52 1.28 0.06 2.00 1.08 -1.93 0.03 117.51 120.54 3mfn h ILE 87 Ca 0.06 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.12 3mfn h ILE 87 Cb 0.78 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 3mfn h ILE 87 CO 0.06 0.47 -0.23 0.25 -0.69 0.00 0.00 178.15 178.02 3mfn h LEU 88 N 0.64 -0.66 -0.99 1.44 5.85 -0.70 0.18 115.31 121.07 3mfn h LEU 88 Ca 0.07 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3mfn h LEU 88 Cb 0.82 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3mfn h LEU 88 CO 0.07 -0.31 0.53 0.78 -0.34 0.00 0.00 178.44 179.18 3mfn h ASN 89 N -0.40 1.09 -0.33 1.25 2.35 -0.90 0.11 115.58 118.76 3mfn h ASN 89 Ca 0.04 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3mfn h ASN 89 Cb 0.44 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3mfn h ASN 89 CO -0.16 0.85 0.19 0.74 -1.65 0.00 0.00 177.43 177.39 3mfn h THR 90 N 1.25 1.13 -0.36 2.81 2.02 -0.61 -0.45 112.91 118.70 3mfn h THR 90 Ca 0.32 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3mfn h THR 90 Cb -0.04 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3mfn h THR 90 CO -0.06 0.13 0.16 0.15 0.37 0.00 0.00 175.52 176.27 3mfn h PHE 91 N 0.42 0.54 -0.81 3.16 3.57 -0.02 -0.46 116.94 123.33 3mfn h PHE 91 Ca 0.12 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3mfn h PHE 91 Cb 0.05 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3mfn h PHE 91 CO -0.03 0.47 0.50 0.28 -2.23 0.00 0.00 178.31 177.30 3mfn h VAL 92 N 0.44 1.04 -0.51 1.41 2.07 -0.60 0.26 116.25 120.36 3mfn h VAL 92 Ca 0.12 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3mfn h VAL 92 Cb 0.15 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3mfn h VAL 92 CO -0.01 0.17 0.17 -1.28 0.02 0.00 0.00 177.57 176.63 3mfn h SER 93 N 0.92 0.69 -0.77 0.57 0.87 -0.54 -1.00 113.55 114.29 3mfn h SER 93 Ca 0.35 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3mfn h SER 93 Cb 0.15 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3mfn h SER 93 CO -0.17 0.65 0.34 0.58 -0.53 0.00 0.00 176.83 177.71 3mfn h VAL 94 N 0.73 1.25 -0.66 2.23 2.07 0.38 -1.14 116.25 121.11 3mfn h VAL 94 Ca 0.17 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3mfn h VAL 94 Cb 0.21 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3mfn h VAL 94 CO -0.01 0.31 0.26 0.22 0.02 0.00 0.00 177.57 178.37 3mfn h TYR 95 N 1.10 1.02 -0.12 1.57 3.20 0.12 -1.09 116.97 122.77 3mfn h TYR 95 Ca 0.26 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3mfn h TYR 95 Cb 0.16 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 3mfn h TYR 95 CO 0.01 0.80 -0.01 0.93 -1.64 0.00 0.00 178.16 178.25 3mfn h GLU 96 N 0.94 0.21 0.11 1.82 4.39 -0.92 -1.41 114.58 119.72 3mfn h GLU 96 Ca 0.22 -0.07 -0.31 0.00 0.34 0.00 0.00 59.36 59.54 3mfn h GLU 96 Cb 0.22 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3mfn h GLU 96 CO -0.02 0.48 -1.60 1.96 -1.16 0.00 0.00 179.01 178.67 3mfn h GLN 97 N -0.08 0.23 0.02 2.33 1.08 -1.12 -0.20 115.11 117.38 3mfn h GLN 97 Ca 0.03 -0.39 -0.38 0.00 -1.45 0.00 0.00 58.65 56.47 3mfn h GLN 97 Cb 0.39 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3mfn h GLN 97 CO 0.01 1.07 -2.17 1.28 -0.95 0.00 0.00 178.83 178.07 3mfn n LEU 98 N -3.42 2.37 0.03 1.46 4.32 -0.42 -3.87 117.00 117.47 3mfn n LEU 98 Ca -0.18 0.19 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 3mfn n LEU 98 Cb 1.04 -0.94 -0.14 0.00 -1.62 0.00 0.00 43.42 41.77 3mfn n LEU 98 CO 0.49 0.68 -0.13 -0.74 -1.22 0.00 0.00 177.39 176.47 3mfn h HIS 99 N -0.50 0.49 0.00 -1.77 2.76 -1.42 -0.10 115.15 114.61 3mfn h HIS 99 Ca -0.54 -0.35 -0.01 0.00 -2.20 0.00 0.00 60.37 57.26 3mfn h HIS 99 Cb 1.72 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.66 3mfn h HIS 99 CO 0.02 1.40 -0.41 -0.07 -1.30 0.00 0.00 177.93 177.56 3mfn h LEU 100 N -0.38 0.00 0.00 0.26 3.38 -1.09 -1.97 115.31 115.52 3mfn h LEU 100 Ca -0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3mfn h LEU 100 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3mfn h LEU 100 CO 0.11 0.73 0.00 0.52 0.09 0.00 0.00 178.44 179.89 3mfn n VAL 101 N -4.65 0.00 0.00 1.22 0.31 -0.10 -1.55 118.33 113.56 3mfn n VAL 101 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3mfn n VAL 101 Cb 0.22 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.94 0.00 -0.07 3.52 0.00 -0.05 -1.94 120.51 121.03 3mfn n ALA 103 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 3mfn n ALA 103 Cb 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 1.02 0.68 0.00 9.36 -0.74 -4.55 117.16 122.93 3mfn n TYR 104 Ca 0.00 0.33 0.11 0.00 3.32 0.00 0.00 57.90 61.66 3mfn n TYR 104 Cb 0.00 -1.12 0.05 0.00 -0.63 0.00 0.00 39.34 37.64 3mfn n TYR 104 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3mfn n ASP 105 N -4.02 0.64 -0.49 2.98 8.00 -0.59 -4.99 116.55 118.07 3mfn n ASP 105 Ca -0.34 -0.29 -0.05 0.00 0.71 0.00 0.00 54.79 54.81 3mfn n ASP 105 Cb 0.85 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 42.64 3mfn n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mfn n GLY 106 N 1.40 0.57 3.47 0.44 0.00 -0.82 -4.99 105.19 105.25 3mfn n GLY 106 Ca 0.03 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.23 4.73 -0.63 1.61 1.01 -0.88 -4.48 120.40 119.52 3mfn s VAL 107 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3mfn s VAL 107 Cb 0.00 -3.37 0.15 0.00 0.00 0.00 0.00 36.38 33.17 3mfn s VAL 107 CO 0.00 0.12 0.41 -0.83 0.00 0.00 0.00 175.10 174.79 3mfn s GLY 108 N 1.64 2.73 -0.53 4.51 0.00 -1.26 -4.93 107.32 109.48 3mfn s GLY 108 Ca 0.05 -3.61 -0.25 0.00 0.00 0.00 0.00 44.72 40.91 3mfn s GLY 108 CO 0.07 1.07 0.96 -0.35 0.00 0.00 0.00 173.10 174.86 3mfn s ASP 109 N -1.01 6.39 0.23 1.64 -1.08 -1.26 -1.08 116.67 120.50 3mfn s ASP 109 Ca 0.22 -0.19 -0.08 0.00 -0.52 0.00 0.00 52.55 51.99 3mfn s ASP 109 Cb -0.12 -2.45 0.24 0.00 -1.46 0.00 0.00 42.92 39.12 3mfn s ASP 109 CO -0.11 -1.21 1.88 0.00 0.52 0.00 0.00 175.17 176.25 3mfn h ALA 110 N 9.28 1.09 -1.00 3.66 0.00 -1.43 0.19 119.26 131.05 3mfn h ALA 110 Ca -0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3mfn h ALA 110 Cb 1.07 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3mfn h ALA 110 CO 1.08 0.38 0.66 0.93 0.00 0.00 0.00 179.25 182.30 3mfn h GLU 111 N 1.05 1.26 -0.20 0.00 5.08 -1.92 0.45 114.58 120.30 3mfn h GLU 111 Ca 0.33 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3mfn h GLU 111 Cb -0.01 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3mfn h GLU 111 CO -0.11 0.83 -0.43 0.28 -1.00 0.00 0.00 179.01 178.59 3mfn h VAL 112 N 1.30 1.32 -0.54 3.13 2.07 -1.36 -2.94 116.25 119.23 3mfn h VAL 112 Ca 0.39 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 66.32 3mfn h VAL 112 Cb -0.06 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 3mfn h VAL 112 CO -0.11 0.52 0.22 0.58 0.02 0.00 0.00 177.57 178.80 3mfn h VAL 113 N 0.34 0.85 -0.73 2.57 2.07 -0.25 -1.18 116.25 119.92 3mfn h VAL 113 Ca 0.00 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3mfn h VAL 113 Cb 1.04 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3mfn h VAL 113 CO 0.10 0.08 0.39 0.50 0.02 0.00 0.00 177.57 178.65 3mfn h LYS 114 N 0.42 0.66 -0.38 1.57 3.64 -0.87 0.16 116.57 121.77 3mfn h LYS 114 Ca 0.26 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3mfn h LYS 114 Cb 0.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3mfn h LYS 114 CO -0.24 0.44 0.19 -0.07 -2.27 0.00 0.00 179.45 177.51 3mfn h LEU 115 N 0.68 0.49 -0.83 5.20 3.38 -1.20 -1.06 115.31 121.97 3mfn h LEU 115 Ca 0.35 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.27 3mfn h LEU 115 Cb 0.31 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3mfn h LEU 115 CO -0.24 0.46 0.51 1.23 0.09 0.00 0.00 178.44 180.50 3mfn h GLY 116 N 0.48 1.25 1.70 0.83 0.00 -0.19 -0.42 103.07 106.72 3mfn h GLY 116 Ca 0.13 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 3mfn h GLY 116 CO -0.02 0.25 -0.49 0.74 0.00 0.00 0.00 176.54 177.02 3mfn h PHE 117 N 0.93 0.40 -0.41 5.60 -1.00 -0.79 -1.71 116.94 119.96 3mfn h PHE 117 Ca 0.36 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 61.02 3mfn h PHE 117 Cb 0.17 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 3mfn h PHE 117 CO -0.04 0.76 0.26 0.37 -1.61 0.00 0.00 178.31 178.05 3mfn h GLN 118 N 0.26 0.51 -0.70 1.51 -0.00 0.00 -1.87 115.11 114.82 3mfn h GLN 118 Ca 0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 3mfn h GLN 118 Cb 0.97 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.30 3mfn h GLN 118 CO 0.08 0.34 0.32 0.00 0.00 0.00 0.00 178.83 179.57 3mfn h ARG 119 N 0.52 1.01 -0.03 1.69 2.47 -0.86 -2.49 114.38 116.68 3mfn h ARG 119 Ca 0.16 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3mfn h ARG 119 Cb -0.03 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.10 3mfn h ARG 119 CO -0.05 0.79 0.02 0.00 0.56 0.00 0.00 179.97 181.29 3mfn h ALA 120 N 1.35 0.04 -0.91 0.04 0.00 -0.94 -2.51 119.26 116.33 3mfn h ALA 120 Ca 0.24 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3mfn h ALA 120 Cb 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3mfn h ALA 120 CO -0.03 -0.46 0.53 1.49 0.00 0.00 0.00 179.25 180.79 3mfn h GLU 121 N 0.04 0.78 -0.60 0.00 4.81 -1.01 -1.17 114.58 117.43 3mfn h GLU 121 Ca 0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3mfn h GLU 121 Cb 0.00 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3mfn h GLU 121 CO -0.00 0.52 0.24 0.82 -0.73 0.00 0.00 179.01 179.85 3mfn h ILE 122 N 0.80 1.21 -0.05 2.32 2.04 -1.04 0.56 117.51 123.36 3mfn h ILE 122 Ca 0.47 -0.67 -0.25 0.00 1.00 0.00 0.00 64.86 65.41 3mfn h ILE 122 Cb 0.56 0.50 0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3mfn h ILE 122 CO -0.31 0.27 -0.96 0.40 0.00 0.00 0.00 178.15 177.56 3mfn h ILE 123 N 0.86 1.28 -0.51 -0.67 2.04 -0.87 -1.51 117.51 118.12 3mfn h ILE 123 Ca 0.20 -2.16 -0.02 0.00 1.00 0.00 0.00 64.86 63.88 3mfn h ILE 123 Cb 0.17 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3mfn h ILE 123 CO -0.02 0.67 0.23 0.40 0.00 0.00 0.00 178.15 179.44 3mfn h ILE 124 N 0.44 1.20 -0.24 -0.67 2.04 -0.94 -1.33 117.51 118.01 3mfn h ILE 124 Ca -0.10 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3mfn h ILE 124 Cb 1.60 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3mfn h ILE 124 CO 0.19 0.23 0.06 0.44 0.00 0.00 0.00 178.15 179.07 3mfn h ASP 125 N 0.68 0.03 -0.49 1.72 3.32 -0.84 -1.77 116.42 119.07 3mfn h ASP 125 Ca 0.17 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3mfn h ASP 125 Cb 0.15 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 3mfn h ASP 125 CO -0.02 0.05 0.18 -0.25 -1.72 0.00 0.00 179.24 177.48 3mfn h TRP 126 N 0.16 0.32 -0.37 4.55 7.01 -1.03 -1.86 115.95 124.73 3mfn h TRP 126 Ca 0.11 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.18 3mfn h TRP 126 Cb 0.10 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 3mfn h TRP 126 CO -0.15 0.11 0.12 0.28 -2.79 0.00 0.00 178.44 176.01 3mfn h VAL 127 N 0.36 0.87 -0.99 2.65 2.07 -0.91 -0.30 116.25 119.99 3mfn h VAL 127 Ca 0.23 -0.09 0.14 0.00 0.82 0.00 0.00 66.70 67.80 3mfn h VAL 127 Cb 0.24 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 3mfn h VAL 127 CO -0.23 0.05 0.62 -0.08 0.02 0.00 0.00 177.57 177.94 3mfn h GLU 128 N 0.26 0.89 -0.01 1.57 4.81 -0.57 -0.86 114.58 120.68 3mfn h GLU 128 Ca 0.17 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3mfn h GLU 128 Cb 0.16 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3mfn h GLU 128 CO -0.19 0.59 -0.13 0.00 -0.73 0.00 0.00 179.01 178.55 3mfn h ARG 129 N 0.91 0.10 -0.76 1.92 3.08 -0.80 -3.25 114.38 115.58 3mfn h ARG 129 Ca 0.52 -0.10 0.15 0.00 0.07 0.00 0.00 59.98 60.62 3mfn h ARG 129 Cb 0.61 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 3mfn h ARG 129 CO -0.30 0.83 0.51 -0.09 -1.07 0.00 0.00 179.97 179.85 3mfn h ARG 130 N -0.60 0.39 -1.06 0.04 9.65 -0.74 -2.78 114.38 119.27 3mfn h ARG 130 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3mfn h ARG 130 Cb 0.87 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 3mfn h ARG 130 CO 0.03 0.26 0.00 1.28 2.80 0.00 0.00 179.97 184.33 3mfn n LEU 131 N -4.48 1.26 0.00 3.80 4.77 -0.36 -5.09 117.00 116.90 3mfn n LEU 131 Ca 0.15 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3mfn n LEU 131 Cb 0.55 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3mfn n LEU 131 CO 0.33 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.62