#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcd n THR 17 N 0.00 -7.50 -3.19 0.00 -1.04 -1.26 -4.96 114.28 96.32 3mcd n THR 17 Ca 0.00 0.09 -0.45 0.00 -2.04 0.00 0.00 64.05 61.65 3mcd n THR 17 Cb 0.00 -5.95 -0.04 0.00 -1.82 0.00 0.00 70.33 62.51 3mcd n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3mcd s ASP 18 N -2.48 6.29 -0.14 8.00 1.01 -1.26 -5.05 116.67 123.04 3mcd s ASP 18 Ca 0.06 -1.75 -0.18 0.00 0.71 0.00 0.00 52.55 51.39 3mcd s ASP 18 Cb -0.02 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3mcd s ASP 18 CO 0.51 -0.96 0.47 0.00 0.21 0.00 0.00 175.17 175.40 3mcd s ARG 19 N 2.00 4.30 -0.04 8.23 3.03 -1.26 -2.87 118.95 132.34 3mcd s ARG 19 Ca 0.11 0.41 0.06 0.00 2.03 0.00 0.00 55.73 58.34 3mcd s ARG 19 Cb -0.23 -3.46 -0.01 0.00 -1.03 0.00 0.00 34.95 30.21 3mcd s ARG 19 CO 0.02 0.10 -0.24 -1.17 -1.13 0.00 0.00 175.30 172.89 3mcd s LEU 20 N 0.82 2.04 -0.08 -1.89 2.96 0.74 -5.00 118.68 118.27 3mcd s LEU 20 Ca 0.25 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3mcd s LEU 20 Cb -0.15 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.30 3mcd s LEU 20 CO 0.10 0.25 0.19 -1.59 -1.32 0.00 0.00 176.35 173.97 3mcd s LYS 21 N -0.27 0.17 -0.09 1.98 -2.85 -1.26 0.18 119.74 117.61 3mcd s LYS 21 Ca 0.01 0.36 -0.02 0.00 -1.00 0.00 0.00 55.97 55.31 3mcd s LYS 21 Cb -0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 3mcd s LYS 21 CO 0.02 -0.10 0.01 -1.17 0.10 0.00 0.00 175.35 174.21 3mcd s LEU 22 N 0.73 3.62 -0.09 2.77 0.20 -0.76 -4.96 118.68 120.19 3mcd s LEU 22 Ca -0.05 0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.93 3mcd s LEU 22 Cb -0.07 -1.84 0.02 0.00 -0.43 0.00 0.00 46.19 43.88 3mcd s LEU 22 CO -0.04 0.36 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.65 3mcd s ILE 23 N -0.79 1.15 -0.56 6.68 1.01 -1.26 -1.31 121.20 126.12 3mcd s ILE 23 Ca 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 3mcd s ILE 23 Cb -0.12 -1.10 0.15 0.00 0.01 0.00 0.00 42.46 41.40 3mcd s ILE 23 CO 0.02 0.37 0.39 -0.22 0.00 0.00 0.00 174.94 175.50 3mcd s LEU 24 N 1.18 5.40 0.22 2.97 0.20 0.59 -5.00 118.68 124.24 3mcd s LEU 24 Ca -0.04 -2.51 -0.30 0.00 0.69 0.00 0.00 54.13 51.97 3mcd s LEU 24 Cb -0.14 -1.89 -0.08 0.00 -0.43 0.00 0.00 46.19 43.65 3mcd s LEU 24 CO -0.03 -0.47 0.96 0.00 -0.29 0.00 0.00 176.35 176.53 3mcd s ALA 25 N 0.45 3.33 0.28 5.97 0.00 -1.26 -2.07 121.76 128.46 3mcd s ALA 25 Ca 0.13 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3mcd s ALA 25 Cb -0.21 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3mcd s ALA 25 CO -0.04 0.12 0.52 0.21 0.00 0.00 0.00 175.76 176.57 3mcd s LYS 26 N -0.94 1.71 0.04 0.00 2.20 -0.00 -5.00 119.74 117.75 3mcd s LYS 26 Ca 0.43 -1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 54.61 3mcd s LYS 26 Cb -0.26 0.49 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 3mcd s LYS 26 CO 0.32 -0.72 0.28 -2.00 -0.36 0.00 0.00 175.35 172.87 3mcd s GLU 27 N -3.63 3.56 0.19 4.03 -6.30 -1.26 -2.11 118.70 113.18 3mcd s GLU 27 Ca 0.23 -0.14 -0.11 0.00 -2.50 0.00 0.00 54.97 52.45 3mcd s GLU 27 Cb -0.01 -3.03 0.12 0.00 0.00 0.00 0.00 34.13 31.20 3mcd s GLU 27 CO 0.12 0.61 1.80 -0.09 0.02 0.00 0.00 175.26 177.72 3mcd h ARG 28 N 3.65 0.95 0.00 4.30 2.43 -1.89 -3.29 114.38 120.53 3mcd h ARG 28 Ca -0.49 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3mcd h ARG 28 Cb 1.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3mcd h ARG 28 CO 0.69 0.72 0.00 2.41 -1.51 0.00 0.00 179.97 182.28 3mcd n THR 29 N -4.50 0.00 -0.70 0.20 -1.04 -1.26 -4.68 114.28 102.30 3mcd n THR 29 Ca 0.05 0.97 -0.28 0.00 -2.04 0.00 0.00 64.05 62.75 3mcd n THR 29 Cb 0.10 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 66.77 3mcd n THR 29 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3mcd n LEU 30 N -0.63 0.47 0.00 -4.42 0.00 -1.24 -4.92 117.00 106.26 3mcd n LEU 30 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 56.01 56.46 3mcd n LEU 30 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 43.42 43.04 3mcd n LEU 30 CO 0.00 -0.36 0.19 -3.20 0.00 0.00 0.00 177.39 174.02 3mcd n ASN 31 N 2.17 0.00 -3.40 1.96 2.85 -1.26 -4.78 115.26 112.79 3mcd n ASN 31 Ca 0.16 0.43 -0.16 0.00 -0.11 0.00 0.00 54.58 54.90 3mcd n ASN 31 Cb -0.02 -0.13 0.02 0.00 1.24 0.00 0.00 39.78 40.89 3mcd n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3mcd n LEU 32 N -0.90 -4.58 -3.16 1.20 4.77 -1.26 -4.62 117.00 108.45 3mcd n LEU 32 Ca 0.00 -0.61 -0.15 0.00 -0.03 0.00 0.00 56.01 55.21 3mcd n LEU 32 Cb 0.00 -2.73 -0.02 0.00 -2.33 0.00 0.00 43.42 38.34 3mcd n LEU 32 CO 0.00 -0.19 1.61 -0.81 -1.33 0.00 0.00 177.39 176.67 3mcd n PRO 33 N -2.87 0.85 -1.13 3.23 -0.04 -1.26 -2.88 135.00 130.90 3mcd n PRO 33 Ca -0.10 -0.99 -0.01 0.00 -0.04 0.00 0.00 63.50 62.36 3mcd n PRO 33 Cb 0.58 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3mcd n PRO 33 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3mcd n TYR 34 N 5.31 -0.21 0.90 0.54 0.18 -1.26 -4.93 117.16 117.69 3mcd n TYR 34 Ca 0.24 -0.23 0.01 0.00 1.88 0.00 0.00 57.90 59.80 3mcd n TYR 34 Cb 0.12 0.52 0.07 0.00 -0.38 0.00 0.00 39.34 39.67 3mcd n TYR 34 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 3mcd n MET 35 N -0.16 0.45 0.00 -3.48 2.81 -1.14 -2.47 117.12 113.14 3mcd n MET 35 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 3mcd n MET 35 Cb 0.46 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 3mcd n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3mcd n GLU 36 N -0.59 0.00 -0.28 0.03 -0.58 -1.26 -3.44 120.64 114.52 3mcd n GLU 36 Ca 0.02 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.86 3mcd n GLU 36 Cb 0.01 -0.07 0.20 0.00 -0.57 0.00 0.00 31.44 31.01 3mcd n GLU 36 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3mcd n GLU 37 N -0.18 -0.07 -0.18 3.49 1.02 -1.21 0.34 120.64 123.85 3mcd n GLU 37 Ca 0.00 1.21 -0.04 0.00 -0.02 0.00 0.00 57.16 58.31 3mcd n GLU 37 Cb 0.00 -1.88 0.02 0.00 -0.02 0.00 0.00 31.44 29.56 3mcd n GLU 37 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3mcd h MET 38 N 0.00 -0.12 0.86 3.49 4.05 -1.70 1.06 114.93 122.55 3mcd h MET 38 Ca 0.45 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.84 3mcd h MET 38 Cb 0.87 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.71 3mcd h MET 38 CO -0.77 -0.08 -0.41 -0.09 0.23 0.00 0.00 176.91 175.79 3mcd h ARG 39 N -0.13 -1.11 -0.98 0.39 2.43 0.56 -1.65 114.38 113.90 3mcd h ARG 39 Ca 0.24 0.08 0.22 0.00 -0.81 0.00 0.00 59.98 59.70 3mcd h ARG 39 Cb 0.52 0.25 -0.18 0.00 -0.42 0.00 0.00 29.97 30.13 3mcd h ARG 39 CO -0.63 -0.73 -0.17 1.63 -1.51 0.00 0.00 179.97 178.56 3mcd n LYS 40 N -5.56 -0.09 -0.09 0.20 4.01 0.35 0.11 118.16 117.10 3mcd n LYS 40 Ca -0.15 1.51 -0.13 0.00 -0.51 0.00 0.00 58.31 59.03 3mcd n LYS 40 Cb 0.46 -2.29 -0.05 0.00 -0.51 0.00 0.00 35.03 32.64 3mcd n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3mcd h GLU 41 N 0.00 0.68 -0.35 1.97 4.39 0.12 0.37 114.58 121.76 3mcd h GLU 41 Ca 0.50 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3mcd h GLU 41 Cb 0.86 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 3mcd h GLU 41 CO -0.98 0.98 0.09 0.82 -1.16 0.00 0.00 179.01 178.77 3mcd h ILE 42 N 0.41 1.22 0.99 3.13 1.08 0.38 -0.52 117.51 124.20 3mcd h ILE 42 Ca 0.04 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 3mcd h ILE 42 Cb 0.88 1.03 0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3mcd h ILE 42 CO 0.07 0.25 -0.49 0.40 -0.69 0.00 0.00 178.15 177.69 3mcd h ILE 43 N 0.41 0.01 -0.83 -0.67 1.08 0.83 -1.62 117.51 116.72 3mcd h ILE 43 Ca 0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.66 3mcd h ILE 43 Cb 0.28 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.93 3mcd h ILE 43 CO -0.00 0.00 -0.56 0.00 -0.69 0.00 0.00 178.15 176.90 3mcd h ALA 44 N -1.33 -0.55 -0.26 1.87 0.00 -0.17 0.26 119.26 119.09 3mcd h ALA 44 Ca -0.14 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3mcd h ALA 44 Cb 1.03 1.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 3mcd h ALA 44 CO 0.22 -0.96 -0.31 0.28 0.00 0.00 0.00 179.25 178.48 3mcd h VAL 45 N -0.11 0.00 -1.00 0.00 2.07 -1.02 0.48 116.25 116.67 3mcd h VAL 45 Ca 0.15 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.00 3mcd h VAL 45 Cb 0.48 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.07 3mcd h VAL 45 CO -0.84 0.00 0.23 0.40 0.02 0.00 0.00 177.57 177.38 3mcd h ILE 46 N -0.20 0.01 0.00 4.57 1.08 0.14 0.79 117.51 123.90 3mcd h ILE 46 Ca 0.04 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3mcd h ILE 46 Cb 0.32 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 3mcd h ILE 46 CO -0.35 0.00 0.00 1.67 -0.69 0.00 0.00 178.15 178.78 3mcd n GLN 47 N -5.40 0.09 -0.11 2.37 7.27 0.66 -1.43 117.38 120.83 3mcd n GLN 47 Ca 0.29 0.38 -0.24 0.00 0.07 0.00 0.00 57.00 57.50 3mcd n GLN 47 Cb 0.98 -1.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.82 3mcd n GLN 47 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3mcd n LYS 48 N -1.86 0.60 0.07 3.69 4.81 0.27 -2.68 118.16 123.06 3mcd n LYS 48 Ca 0.02 0.43 -0.02 0.00 -0.87 0.00 0.00 58.31 57.88 3mcd n LYS 48 Cb 0.17 -1.66 0.24 0.00 0.02 0.00 0.00 35.03 33.80 3mcd n LYS 48 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3mcd h TYR 49 N -0.85 0.36 0.00 5.64 -1.99 -1.34 -3.27 116.97 115.53 3mcd h TYR 49 Ca -0.47 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.17 3mcd h TYR 49 Cb 1.50 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.14 3mcd h TYR 49 CO 0.04 0.60 -1.66 0.25 -0.00 0.00 0.00 178.16 177.39 3mcd n THR 50 N -4.10 0.00 -1.23 -2.88 -2.24 -0.52 -5.00 114.28 98.31 3mcd n THR 50 Ca -0.01 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 3mcd n THR 50 Cb 0.42 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3mcd n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mcd n LYS 51 N -2.00 -1.77 -1.47 -0.78 4.76 -1.09 -4.37 118.16 111.42 3mcd n LYS 51 Ca -0.03 0.79 -0.32 0.00 -2.87 0.00 0.00 58.31 55.89 3mcd n LYS 51 Cb 0.39 -5.21 0.07 0.00 -1.84 0.00 0.00 35.03 28.44 3mcd n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3mcd s SER 52 N -2.28 4.82 -0.02 4.39 0.15 -1.26 -4.81 113.70 114.69 3mcd s SER 52 Ca 0.00 1.86 0.04 0.00 0.70 0.00 0.00 55.95 58.54 3mcd s SER 52 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 3mcd s SER 52 CO 0.00 -1.82 0.92 -1.54 1.20 0.00 0.00 173.24 172.00 3mcd n SER 53 N -3.08 1.45 -4.01 5.45 3.41 -1.26 -4.89 113.62 110.69 3mcd n SER 53 Ca 0.09 -1.99 -0.32 0.00 -0.26 0.00 0.00 58.87 56.40 3mcd n SER 53 Cb 0.53 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 3mcd n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mcd s ASP 54 N -1.14 4.69 -0.10 4.04 3.68 -1.26 -5.08 116.67 121.51 3mcd s ASP 54 Ca 0.06 -2.65 0.03 0.00 2.13 0.00 0.00 52.55 52.12 3mcd s ASP 54 Cb 0.05 -1.69 -0.01 0.00 -1.45 0.00 0.00 42.92 39.82 3mcd s ASP 54 CO 0.01 -0.33 -0.21 -0.63 0.13 0.00 0.00 175.17 174.14 3mcd s ILE 55 N 0.22 2.36 -0.07 4.11 1.01 -1.26 -2.94 121.20 124.62 3mcd s ILE 55 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3mcd s ILE 55 Cb -0.23 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3mcd s ILE 55 CO -0.03 0.55 -0.05 -2.28 0.00 0.00 0.00 174.94 173.13 3mcd s HIS 56 N 0.24 1.02 -0.18 3.97 2.46 0.17 -4.98 115.29 117.98 3mcd s HIS 56 Ca -0.14 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.01 3mcd s HIS 56 Cb -0.17 -0.92 0.04 0.00 -0.13 0.00 0.00 32.58 31.41 3mcd s HIS 56 CO 0.07 -0.33 -0.07 -0.59 -2.47 0.00 0.00 174.74 171.34 3mcd s PHE 57 N 1.42 1.99 0.64 3.88 -0.12 -1.26 0.12 117.98 124.65 3mcd s PHE 57 Ca -0.02 -1.28 0.07 0.00 -0.05 0.00 0.00 56.93 55.65 3mcd s PHE 57 Cb -0.13 -1.45 0.11 0.00 -0.63 0.00 0.00 43.02 40.92 3mcd s PHE 57 CO -0.03 -0.67 0.88 -1.59 -0.05 0.00 0.00 175.22 173.76 3mcd s LYS 58 N 1.54 2.04 -0.30 1.99 -2.85 -1.22 -4.99 119.74 115.95 3mcd s LYS 58 Ca 0.00 -1.58 0.19 0.00 -1.00 0.00 0.00 55.97 53.58 3mcd s LYS 58 Cb -0.16 -2.55 0.47 0.00 -2.06 0.00 0.00 37.83 33.54 3mcd s LYS 58 CO -0.08 -1.11 1.01 2.41 0.10 0.00 0.00 175.35 177.68 3mcd n THR 59 N -2.46 1.04 -3.69 3.79 -1.04 -1.26 -3.33 114.28 107.34 3mcd n THR 59 Ca 0.17 -2.97 -0.11 0.00 -2.04 0.00 0.00 64.05 59.10 3mcd n THR 59 Cb 0.62 0.86 -0.11 0.00 -1.82 0.00 0.00 70.33 69.88 3mcd n THR 59 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mcd s LEU 60 N -3.32 -0.18 -0.64 -4.42 0.20 -1.15 -4.70 118.68 104.47 3mcd s LEU 60 Ca 0.27 0.84 -0.03 0.00 0.69 0.00 0.00 54.13 55.89 3mcd s LEU 60 Cb 0.42 1.20 0.03 0.00 -0.43 0.00 0.00 46.19 47.41 3mcd s LEU 60 CO 0.01 -0.20 0.08 0.52 -0.29 0.00 0.00 176.35 176.47 3mcd n VAL 66 N 4.64 -0.25 -1.65 1.68 0.31 -1.26 -4.45 118.33 117.35 3mcd n VAL 66 Ca -0.18 -0.13 -0.47 0.00 -0.01 0.00 0.00 64.34 63.55 3mcd n VAL 66 Cb 0.53 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 33.10 3mcd n VAL 66 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3mcd n GLU 67 N -2.19 1.86 -3.65 5.55 2.13 -0.90 -4.85 120.64 118.60 3mcd n GLU 67 Ca -0.07 0.67 -0.29 0.00 0.66 0.00 0.00 57.16 58.13 3mcd n GLU 67 Cb 0.23 -2.37 -0.15 0.00 0.27 0.00 0.00 31.44 29.43 3mcd n GLU 67 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3mcd s THR 68 N 0.50 0.39 -0.55 6.31 2.01 -1.26 -0.82 115.64 122.21 3mcd s THR 68 Ca 0.77 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 3mcd s THR 68 Cb -0.73 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 70.56 3mcd s THR 68 CO 0.44 -0.63 1.04 -0.63 -0.69 0.00 0.00 174.62 174.15 3mcd s ILE 69 N 1.87 4.24 0.38 1.82 1.01 -0.88 -2.92 121.20 126.72 3mcd s ILE 69 Ca 0.08 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.38 3mcd s ILE 69 Cb -0.17 -4.61 -0.00 0.00 0.01 0.00 0.00 42.46 37.69 3mcd s ILE 69 CO -0.28 -1.17 0.54 -0.70 0.00 0.00 0.00 174.94 173.33 3mcd s GLU 70 N 4.34 3.04 -0.29 2.79 2.12 -1.21 -0.30 118.70 129.19 3mcd s GLU 70 Ca 0.36 -0.91 0.01 0.00 0.36 0.00 0.00 54.97 54.79 3mcd s GLU 70 Cb -0.10 -2.74 0.19 0.00 0.26 0.00 0.00 34.13 31.74 3mcd s GLU 70 CO 0.23 -0.09 0.68 0.08 -0.54 0.00 0.00 175.26 175.61 3mcd s VAL 71 N -2.31 -0.87 -0.01 3.70 1.01 -0.42 -3.44 120.40 118.05 3mcd s VAL 71 Ca 0.48 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 3mcd s VAL 71 Cb -0.10 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3mcd s VAL 71 CO 0.33 0.00 0.70 -1.61 0.00 0.00 0.00 175.10 174.52 3mcd s GLU 72 N 2.86 4.43 -0.07 2.72 8.01 0.33 -1.83 118.70 135.14 3mcd s GLU 72 Ca 0.14 0.91 0.01 0.00 0.01 0.00 0.00 54.97 56.04 3mcd s GLU 72 Cb -0.10 -3.39 0.02 0.00 -4.31 0.00 0.00 34.13 26.34 3mcd s GLU 72 CO -0.23 0.22 -0.08 0.42 0.01 0.00 0.00 175.26 175.60 3mcd s ILE 73 N 0.24 0.88 -0.38 -1.63 -1.09 0.13 -0.66 121.20 118.69 3mcd s ILE 73 Ca 0.36 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.47 3mcd s ILE 73 Cb -0.19 -0.87 0.09 0.00 -1.58 0.00 0.00 42.46 39.92 3mcd s ILE 73 CO 0.20 0.31 0.16 -0.63 -1.23 0.00 0.00 174.94 173.75 3mcd s ILE 74 N 1.11 3.28 0.86 2.92 1.01 -1.15 -0.19 121.20 129.05 3mcd s ILE 74 Ca -0.07 -1.86 -0.10 0.00 0.00 0.00 0.00 60.65 58.61 3mcd s ILE 74 Cb -0.14 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 39.29 3mcd s ILE 74 CO -0.01 -0.55 1.13 -1.48 0.00 0.00 0.00 174.94 174.03 3mcd s LEU 75 N 1.18 2.92 0.00 2.97 2.34 -1.14 -4.52 118.68 122.44 3mcd s LEU 75 Ca 0.05 2.09 0.26 0.00 0.06 0.00 0.00 54.13 56.59 3mcd s LEU 75 Cb -0.22 -4.55 0.71 0.00 -0.56 0.00 0.00 46.19 41.56 3mcd s LEU 75 CO -0.03 -2.75 1.55 -0.81 -1.06 0.00 0.00 176.35 173.25