#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ima s LEU 3 N 0.00 4.30 0.10 0.00 2.01 -1.26 -4.99 118.68 118.84 3ima s LEU 3 Ca 0.00 1.88 -0.30 0.00 0.01 0.00 0.00 54.13 55.72 3ima s LEU 3 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 46.19 42.58 3ima s LEU 3 CO 0.00 -0.58 1.14 -0.04 1.01 0.00 0.00 176.35 177.88 3ima s MET 4 N 2.04 4.51 -0.03 1.70 -1.94 -1.26 -1.86 119.30 122.46 3ima s MET 4 Ca 0.57 1.71 0.00 0.00 -1.71 0.00 0.00 55.69 56.27 3ima s MET 4 Cb -0.26 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.25 3ima s MET 4 CO 0.24 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 3ima n GLY 5 N 2.71 0.45 3.94 -0.03 0.00 -1.26 -5.01 105.19 105.98 3ima n GLY 5 Ca 0.06 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3ima n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ima s GLY 6 N -2.10 1.68 -0.26 -0.02 0.00 -0.77 -4.56 107.32 101.28 3ima s GLY 6 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 44.72 43.57 3ima s GLY 6 CO 0.00 -0.61 0.68 -0.42 0.00 0.00 0.00 173.10 172.75 3ima s ILE 7 N -3.04 4.94 0.09 0.90 1.01 -1.26 -4.27 121.20 119.57 3ima s ILE 7 Ca 0.57 1.20 0.06 0.00 0.00 0.00 0.00 60.65 62.48 3ima s ILE 7 Cb -0.11 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3ima s ILE 7 CO 0.43 -0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.51 3ima s VAL 8 N 2.61 1.25 0.69 2.92 1.01 -0.56 -4.95 120.40 123.37 3ima s VAL 8 Ca 0.28 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 3ima s VAL 8 Cb -0.15 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3ima s VAL 8 CO 0.09 -0.25 1.12 1.51 0.00 0.00 0.00 175.10 177.57 3ima s ASP 9 N -1.94 4.82 0.00 3.32 1.47 -1.26 -0.07 116.67 123.01 3ima s ASP 9 Ca 0.02 2.02 0.00 0.00 1.18 0.00 0.00 52.55 55.77 3ima s ASP 9 Cb -0.09 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 3ima s ASP 9 CO 0.03 -1.82 0.00 -0.24 0.68 0.00 0.00 175.17 173.81 3ima n SER 16 N -2.69 0.00 -0.01 2.11 2.88 -1.26 -4.77 113.62 109.88 3ima n SER 16 Ca 0.11 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 3ima n SER 16 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3ima n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ima h ALA 17 N 0.00 -0.05 -0.58 -1.46 0.00 -2.06 -2.49 119.26 112.61 3ima h ALA 17 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ima h ALA 17 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ima h ALA 17 CO 0.00 -0.23 0.35 1.49 0.00 0.00 0.00 179.25 180.87 3ima h GLU 18 N -0.66 0.79 -0.57 0.00 4.81 -2.06 -2.52 114.58 114.37 3ima h GLU 18 Ca -0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3ima h GLU 18 Cb 0.59 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3ima h GLU 18 CO 0.01 0.56 0.22 0.28 -0.73 0.00 0.00 179.01 179.35 3ima h VAL 19 N 0.79 1.21 -0.59 0.32 2.07 -2.00 -1.30 116.25 116.75 3ima h VAL 19 Ca 0.21 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3ima h VAL 19 Cb -0.03 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3ima h VAL 19 CO -0.04 0.26 0.29 -0.33 0.02 0.00 0.00 177.57 177.77 3ima h GLU 20 N 0.81 0.84 0.00 1.57 4.39 -1.07 -0.84 114.58 120.28 3ima h GLU 20 Ca 0.19 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 3ima h GLU 20 Cb 0.17 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3ima h GLU 20 CO -0.02 0.67 -0.45 0.93 -1.16 0.00 0.00 179.01 178.99 3ima h GLU 21 N 0.80 0.00 -0.17 2.33 5.08 -1.04 -1.15 114.58 120.42 3ima h GLU 21 Ca 0.20 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 3ima h GLU 21 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ima h GLU 21 CO -0.03 0.45 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.80 3ima h LEU 22 N 0.00 0.59 -0.29 1.33 3.38 -0.64 0.43 115.31 120.11 3ima h LEU 22 Ca -0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ima h LEU 22 Cb 0.84 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ima h LEU 22 CO 0.06 1.03 -0.05 0.00 0.09 0.00 0.00 178.44 179.57 3ima h ALA 23 N 0.98 0.40 -0.76 1.53 0.00 -0.83 0.69 119.26 121.28 3ima h ALA 23 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ima h ALA 23 Cb 1.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ima h ALA 23 CO 0.10 0.20 0.33 -0.09 0.00 0.00 0.00 179.25 179.80 3ima h ARG 24 N 0.33 1.10 -0.54 0.00 2.43 -1.07 -2.18 114.38 114.45 3ima h ARG 24 Ca 0.08 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3ima h ARG 24 Cb 0.52 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3ima h ARG 24 CO 0.02 0.87 0.32 0.35 -1.51 0.00 0.00 179.97 180.03 3ima h PHE 25 N 1.09 0.71 -0.47 2.20 3.57 0.41 -1.51 116.94 122.93 3ima h PHE 25 Ca 0.26 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3ima h PHE 25 Cb 0.16 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3ima h PHE 25 CO 0.02 0.50 0.27 0.00 -2.23 0.00 0.00 178.31 176.86 3ima h ALA 26 N 1.15 0.60 -0.28 2.41 0.00 -0.29 0.18 119.26 123.04 3ima h ALA 26 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ima h ALA 26 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ima h ALA 26 CO -0.03 -0.05 0.02 0.28 0.00 0.00 0.00 179.25 179.46 3ima h VAL 27 N 0.54 1.25 -0.78 0.00 2.07 -1.28 -0.91 116.25 117.13 3ima h VAL 27 Ca 0.19 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3ima h VAL 27 Cb 0.04 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3ima h VAL 27 CO -0.10 0.28 0.33 0.44 0.02 0.00 0.00 177.57 178.54 3ima h ASP 28 N 0.27 1.06 -0.66 0.57 3.32 -0.95 0.21 116.42 120.24 3ima h ASP 28 Ca 0.08 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3ima h ASP 28 Cb 0.39 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3ima h ASP 28 CO 0.01 0.92 0.20 -0.08 -1.72 0.00 0.00 179.24 178.57 3ima h GLU 29 N 1.13 1.03 -0.41 3.56 4.57 -0.54 -0.05 114.58 123.86 3ima h GLU 29 Ca 0.26 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3ima h GLU 29 Cb 0.18 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3ima h GLU 29 CO -0.03 0.90 0.06 1.25 -1.18 0.00 0.00 179.01 180.02 3ima h HIS 30 N 0.96 0.72 -0.87 0.92 2.76 -0.76 -1.46 115.15 117.43 3ima h HIS 30 Ca 0.21 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3ima h HIS 30 Cb 0.31 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 3ima h HIS 30 CO 0.02 0.71 0.44 -0.91 -1.30 0.00 0.00 177.93 176.89 3ima h ASN 31 N 0.53 1.11 -0.09 3.26 2.35 -0.62 -1.20 115.58 120.92 3ima h ASN 31 Ca 0.12 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3ima h ASN 31 Cb 0.38 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ima h ASN 31 CO 0.01 0.92 0.02 0.11 -1.65 0.00 0.00 177.43 176.84 3ima h LYS 32 N 1.23 0.14 -0.40 0.81 1.57 -0.77 0.37 116.57 119.52 3ima h LYS 32 Ca 0.30 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 3ima h LYS 32 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3ima h LYS 32 CO -0.04 0.32 -0.12 0.87 -0.57 0.00 0.00 179.45 179.90 3ima h LYS 33 N -0.06 0.72 -0.46 3.15 1.57 -1.13 -3.25 116.57 117.11 3ima h LYS 33 Ca 0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3ima h LYS 33 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ima h LYS 33 CO -0.00 0.82 0.00 -1.91 -0.57 0.00 0.00 179.45 177.79 3ima n GLU 34 N -4.16 2.98 -3.99 3.15 4.07 -0.47 -4.96 120.64 117.26 3ima n GLU 34 Ca 0.01 -2.40 -0.28 0.00 -0.06 0.00 0.00 57.16 54.43 3ima n GLU 34 Cb 0.36 -1.49 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 3ima n GLU 34 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3ima n ASN 35 N 0.73 -1.37 -4.97 4.31 4.13 0.01 -4.95 115.26 113.16 3ima n ASN 35 Ca 0.18 -0.98 -0.20 0.00 1.68 0.00 0.00 54.58 55.26 3ima n ASN 35 Cb 0.59 -3.12 -0.01 0.00 -1.54 0.00 0.00 39.78 35.70 3ima n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ima s ALA 36 N -3.75 4.12 -0.28 5.41 0.00 -0.56 -5.04 121.76 121.67 3ima s ALA 36 Ca 0.22 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 50.85 3ima s ALA 36 Cb -0.11 -1.64 0.46 0.00 0.00 0.00 0.00 23.12 21.83 3ima s ALA 36 CO 0.89 0.04 1.18 1.28 0.00 0.00 0.00 175.76 179.15 3ima n LEU 37 N -1.56 4.27 -4.74 0.00 4.77 -1.26 -4.64 117.00 113.84 3ima n LEU 37 Ca -0.02 -4.43 -0.41 0.00 -0.03 0.00 0.00 56.01 51.12 3ima n LEU 37 Cb 0.58 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3ima n LEU 37 CO 0.43 1.89 0.91 -0.76 -1.33 0.00 0.00 177.39 178.53 3ima s LEU 38 N -3.54 4.44 -0.33 2.23 1.43 -1.26 -4.81 118.68 116.83 3ima s LEU 38 Ca 0.47 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3ima s LEU 38 Cb 0.40 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3ima s LEU 38 CO 0.02 -0.41 0.22 -1.58 0.23 0.00 0.00 176.35 174.83 3ima s GLN 39 N -0.29 3.50 -0.06 1.70 0.74 -0.90 -4.93 119.66 119.42 3ima s GLN 39 Ca 0.53 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 3ima s GLN 39 Cb -0.34 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 29.95 3ima s GLN 39 CO 0.38 -0.42 1.86 0.12 -0.55 0.00 0.00 175.29 176.68 3ima s PHE 40 N 1.71 1.57 -0.23 1.67 5.36 -1.26 -1.36 117.98 125.45 3ima s PHE 40 Ca 0.06 -0.01 -0.16 0.00 -0.96 0.00 0.00 56.93 55.86 3ima s PHE 40 Cb -0.17 -4.07 -0.10 0.00 -0.34 0.00 0.00 43.02 38.33 3ima s PHE 40 CO 0.10 -4.54 -0.28 0.45 -1.46 0.00 0.00 175.22 169.50 3ima n SER 41 N 8.09 1.93 -3.56 6.13 2.88 0.09 -4.94 113.62 124.24 3ima n SER 41 Ca 0.20 0.37 -0.07 0.00 -1.33 0.00 0.00 58.87 58.04 3ima n SER 41 Cb 0.43 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.04 3ima n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ima s ARG 42 N -2.61 0.54 -0.49 -1.46 1.70 -0.76 -5.00 118.95 110.87 3ima s ARG 42 Ca -0.32 -0.08 -0.24 0.00 -0.47 0.00 0.00 55.73 54.62 3ima s ARG 42 Cb 0.09 0.25 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3ima s ARG 42 CO 0.46 -0.21 0.87 -1.17 -1.08 0.00 0.00 175.30 174.16 3ima s LEU 43 N -1.84 4.18 0.04 -1.89 2.96 -1.26 -0.21 118.68 120.67 3ima s LEU 43 Ca 0.04 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 3ima s LEU 43 Cb -0.01 -2.94 -0.30 0.00 0.50 0.00 0.00 46.19 43.44 3ima s LEU 43 CO -0.04 -1.07 1.02 -0.37 -1.32 0.00 0.00 176.35 174.57 3ima h VAL 44 N 6.01 1.35 -2.36 1.68 -1.51 -1.21 -3.48 116.25 116.73 3ima h VAL 44 Ca -0.25 -2.90 -0.08 0.00 -1.23 0.00 0.00 66.70 62.24 3ima h VAL 44 Cb 1.08 2.92 -0.20 0.00 -2.13 0.00 0.00 31.29 32.97 3ima h VAL 44 CO 1.03 0.86 0.02 -0.75 -1.23 0.00 0.00 177.57 177.49 3ima s LYS 45 N -2.63 0.89 -0.01 5.19 2.47 -1.01 -5.00 119.74 119.64 3ima s LYS 45 Ca -0.07 0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 54.52 3ima s LYS 45 Cb 0.06 0.42 0.01 0.00 -1.46 0.00 0.00 37.83 36.85 3ima s LYS 45 CO 0.89 -0.26 0.02 0.00 0.16 0.00 0.00 175.35 176.17 3ima s ALA 46 N -1.06 -0.04 0.03 3.13 0.00 -1.26 0.11 121.76 122.67 3ima s ALA 46 Ca -0.11 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3ima s ALA 46 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3ima s ALA 46 CO 0.07 -0.02 -0.06 0.15 0.00 0.00 0.00 175.76 175.90 3ima s LYS 47 N 0.16 0.42 0.07 0.00 1.02 -0.08 -4.59 119.74 116.75 3ima s LYS 47 Ca -0.01 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.35 3ima s LYS 47 Cb -0.02 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.16 3ima s LYS 47 CO -0.00 0.00 -0.16 1.14 -0.92 0.00 0.00 175.35 175.41 3ima s GLN 48 N -1.51 0.89 -0.03 1.68 -2.07 0.90 0.21 119.66 119.73 3ima s GLN 48 Ca -0.13 -0.98 0.01 0.00 -1.82 0.00 0.00 55.36 52.44 3ima s GLN 48 Cb -0.10 -0.96 0.02 0.00 -1.09 0.00 0.00 33.01 30.89 3ima s GLN 48 CO -0.00 0.22 -0.02 -1.14 -1.32 0.00 0.00 175.29 173.02 3ima s GLN 49 N -1.72 0.52 -0.08 9.60 0.74 -0.11 -1.50 119.66 127.11 3ima s GLN 49 Ca 0.00 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 3ima s GLN 49 Cb -0.10 -0.60 -0.02 0.00 1.10 0.00 0.00 33.01 33.40 3ima s GLN 49 CO 0.03 -0.07 1.01 0.08 -0.55 0.00 0.00 175.29 175.78 3ima s VAL 50 N 0.79 4.77 0.00 1.34 1.01 -1.26 -0.20 120.40 126.85 3ima s VAL 50 Ca -0.09 2.02 0.00 0.00 0.00 0.00 0.00 61.98 63.91 3ima s VAL 50 Cb -0.12 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3ima s VAL 50 CO -0.01 0.04 0.00 1.33 0.00 0.00 0.00 175.10 176.47 3ima n VAL 51 N 4.39 0.00 -2.66 2.92 0.24 -1.26 -4.43 118.33 117.53 3ima n VAL 51 Ca 0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 3ima n VAL 51 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 3ima n VAL 51 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ima s SER 52 N 1.00 6.43 0.00 -1.34 0.15 -1.26 -4.68 113.70 114.00 3ima s SER 52 Ca 0.00 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.32 3ima s SER 52 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3ima s SER 52 CO 0.00 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.58 3ima n GLY 53 N 6.15 0.48 3.10 9.45 0.00 -1.26 -4.76 105.19 118.34 3ima n GLY 53 Ca 0.21 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 3ima n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ima s ILE 54 N 0.00 1.19 -0.26 -0.61 1.01 0.53 -4.54 121.20 118.52 3ima s ILE 54 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3ima s ILE 54 Cb 0.00 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3ima s ILE 54 CO 0.00 0.35 0.03 -0.32 0.00 0.00 0.00 174.94 174.99 3ima s MET 55 N -0.05 3.19 -0.17 2.79 -2.45 0.72 0.18 119.30 123.51 3ima s MET 55 Ca -0.00 -0.77 -0.15 0.00 -1.25 0.00 0.00 55.69 53.51 3ima s MET 55 Cb -0.09 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 3ima s MET 55 CO 0.01 -0.35 0.35 -1.01 1.05 0.00 0.00 175.02 175.07 3ima s HIS 56 N 1.48 3.44 -0.47 4.11 3.76 0.19 -0.93 115.29 126.87 3ima s HIS 56 Ca 0.03 0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 55.48 3ima s HIS 56 Cb -0.16 -2.43 0.11 0.00 1.11 0.00 0.00 32.58 31.21 3ima s HIS 56 CO 0.00 0.15 0.35 -1.01 -0.85 0.00 0.00 174.74 173.38 3ima s HIS 57 N 0.76 3.39 -0.15 1.40 3.76 0.13 -1.14 115.29 123.44 3ima s HIS 57 Ca 0.19 -1.74 -0.04 0.00 -0.15 0.00 0.00 55.06 53.31 3ima s HIS 57 Cb -0.14 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.08 3ima s HIS 57 CO 0.06 -0.97 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.46 3ima s LEU 58 N 1.40 3.42 -0.32 0.89 1.43 0.23 -0.90 118.68 124.83 3ima s LEU 58 Ca 0.05 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 3ima s LEU 58 Cb -0.26 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3ima s LEU 58 CO 0.00 0.20 0.18 -0.89 0.23 0.00 0.00 176.35 176.07 3ima s THR 59 N 0.19 4.78 -0.04 5.49 2.01 0.12 -0.49 115.64 127.69 3ima s THR 59 Ca -0.00 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.67 3ima s THR 59 Cb -0.13 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 3ima s THR 59 CO 0.02 0.04 -0.17 0.54 -0.69 0.00 0.00 174.62 174.36 3ima s VAL 60 N 1.64 1.46 -0.13 3.82 0.11 0.47 -0.58 120.40 127.18 3ima s VAL 60 Ca 0.05 -0.73 -0.18 0.00 -2.93 0.00 0.00 61.98 58.18 3ima s VAL 60 Cb -0.17 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 3ima s VAL 60 CO 0.07 0.42 0.49 -0.70 -3.33 0.00 0.00 175.10 172.05 3ima s GLU 61 N 0.03 4.32 0.39 1.54 2.12 0.71 -0.13 118.70 127.67 3ima s GLU 61 Ca -0.04 0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.78 3ima s GLU 61 Cb -0.12 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3ima s GLU 61 CO 0.02 0.10 0.11 0.14 -0.54 0.00 0.00 175.26 175.09 3ima s VAL 62 N 0.80 0.74 -0.16 3.70 -7.23 0.63 -0.73 120.40 118.15 3ima s VAL 62 Ca 0.26 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 3ima s VAL 62 Cb -0.15 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3ima s VAL 62 CO 0.10 0.00 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.07 3ima s ILE 63 N -3.25 2.24 -0.27 -0.62 1.01 -0.46 -0.48 121.20 119.36 3ima s ILE 63 Ca 0.27 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3ima s ILE 63 Cb 0.04 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.66 3ima s ILE 63 CO 0.14 0.53 -0.01 -0.70 0.00 0.00 0.00 174.94 174.90 3ima s GLU 64 N 0.99 1.52 -1.08 2.79 2.12 0.65 -2.11 118.70 123.58 3ima s GLU 64 Ca -0.02 -1.24 -0.06 0.00 0.36 0.00 0.00 54.97 54.00 3ima s GLU 64 Cb -0.15 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.58 3ima s GLU 64 CO -0.05 -0.73 0.94 0.41 -0.54 0.00 0.00 175.26 175.29 3ima n GLY 65 N 4.58 -0.25 2.88 -1.50 0.00 -1.26 -1.95 105.19 107.68 3ima n GLY 65 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ima n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ima n GLY 66 N -1.65 2.56 3.57 -0.02 0.00 -1.26 -5.01 105.19 103.38 3ima n GLY 66 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3ima n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ima s LYS 67 N -0.04 3.21 0.20 1.61 1.02 -0.82 -5.07 119.74 119.84 3ima s LYS 67 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3ima s LYS 67 Cb 0.00 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 3ima s LYS 67 CO 0.00 0.49 1.28 0.15 -0.92 0.00 0.00 175.35 176.35 3ima s LYS 68 N -0.32 4.42 -0.02 1.68 1.02 -1.26 -0.26 119.74 124.99 3ima s LYS 68 Ca 0.05 2.01 -0.09 0.00 0.02 0.00 0.00 55.97 57.97 3ima s LYS 68 Cb -0.12 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 3ima s LYS 68 CO 0.02 -0.21 0.19 0.21 -0.92 0.00 0.00 175.35 174.65 3ima s LYS 69 N -0.19 0.45 -0.16 1.68 2.20 0.37 -4.91 119.74 119.17 3ima s LYS 69 Ca 0.55 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3ima s LYS 69 Cb -0.35 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 3ima s LYS 69 CO 0.38 -0.10 -0.03 0.08 -0.36 0.00 0.00 175.35 175.32 3ima s VAL 70 N -0.96 3.98 0.18 4.02 1.01 -1.26 -0.27 120.40 127.10 3ima s VAL 70 Ca -0.10 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.65 3ima s VAL 70 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3ima s VAL 70 CO 0.02 0.49 -0.22 -0.31 0.00 0.00 0.00 175.10 175.08 3ima s TYR 71 N 0.37 2.11 -0.24 5.22 2.02 0.82 -4.51 117.35 123.14 3ima s TYR 71 Ca -0.03 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 3ima s TYR 71 Cb -0.14 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3ima s TYR 71 CO 0.03 0.44 0.07 -2.00 -1.57 0.00 0.00 175.55 172.52 3ima s GLU 72 N -2.74 3.69 -0.03 -0.62 2.56 0.14 -0.40 118.70 121.31 3ima s GLU 72 Ca 0.19 -0.46 0.06 0.00 0.00 0.00 0.00 54.97 54.76 3ima s GLU 72 Cb -0.07 -3.32 -0.02 0.00 2.00 0.00 0.00 34.13 32.72 3ima s GLU 72 CO 0.09 -0.14 -0.21 0.00 -0.56 0.00 0.00 175.26 174.43 3ima s ALA 73 N 1.49 2.36 -0.20 6.30 0.00 0.35 -1.70 121.76 130.36 3ima s ALA 73 Ca 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 3ima s ALA 73 Cb -0.15 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3ima s ALA 73 CO 0.04 0.54 -0.13 0.15 0.00 0.00 0.00 175.76 176.36 3ima s LYS 74 N -0.70 3.11 -0.20 0.00 1.02 0.10 -0.60 119.74 122.46 3ima s LYS 74 Ca 0.11 -0.78 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 3ima s LYS 74 Cb -0.10 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3ima s LYS 74 CO -0.00 -0.23 -0.12 0.08 -0.92 0.00 0.00 175.35 174.16 3ima s VAL 75 N 1.36 2.68 -0.41 3.17 1.01 -0.30 0.12 120.40 128.04 3ima s VAL 75 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3ima s VAL 75 Cb -0.14 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3ima s VAL 75 CO -0.09 0.48 0.53 0.86 0.00 0.00 0.00 175.10 176.88 3ima s TRP 76 N 1.38 3.13 -0.17 5.22 -0.00 0.11 -0.64 118.94 127.98 3ima s TRP 76 Ca 0.05 -0.14 -0.04 0.00 -0.00 0.00 0.00 56.10 55.97 3ima s TRP 76 Cb -0.14 -3.06 -0.02 0.00 -0.00 0.00 0.00 33.47 30.25 3ima s TRP 76 CO -0.08 -0.73 -0.04 0.08 -0.00 0.00 0.00 176.95 176.18 3ima s VAL 77 N 2.44 3.72 -0.49 5.86 1.01 0.13 -0.93 120.40 132.13 3ima s VAL 77 Ca 0.17 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3ima s VAL 77 Cb -0.16 -2.65 0.13 0.00 0.00 0.00 0.00 36.38 33.71 3ima s VAL 77 CO 0.15 0.47 0.25 -1.10 0.00 0.00 0.00 175.10 174.87 3ima s GLN 78 N 0.68 1.79 0.24 2.72 -0.21 -0.38 -0.34 119.66 124.15 3ima s GLN 78 Ca -0.02 -2.44 -0.06 0.00 0.02 0.00 0.00 55.36 52.85 3ima s GLN 78 Cb -0.14 -3.08 0.33 0.00 1.00 0.00 0.00 33.01 31.12 3ima s GLN 78 CO 0.02 -1.11 1.83 0.00 -2.12 0.00 0.00 175.29 173.91 3ima h ALA 79 N 6.60 1.12 0.00 6.09 0.00 -1.96 -1.24 119.26 129.87 3ima h ALA 79 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ima h ALA 79 Cb 0.90 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ima h ALA 79 CO 0.63 0.18 -0.01 0.11 0.00 0.00 0.00 179.25 180.16 3ima h TRP 80 N 0.86 0.00 -0.26 0.00 0.09 -1.94 -0.16 115.95 114.55 3ima h TRP 80 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.34 3ima h TRP 80 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 3ima h TRP 80 CO -0.05 0.01 0.00 1.28 0.09 0.00 0.00 178.44 179.77 3ima n LEU 81 N -3.18 2.99 -3.02 0.11 4.77 -0.85 -4.94 117.00 112.88 3ima n LEU 81 Ca -0.02 -1.41 -0.21 0.00 -0.03 0.00 0.00 56.01 54.34 3ima n LEU 81 Cb 0.16 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3ima n LEU 81 CO 0.24 0.63 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.67 3ima n ASN 82 N 1.14 -4.97 -4.75 -1.43 5.15 -0.07 -4.96 115.26 105.37 3ima n ASN 82 Ca 0.15 -0.24 -0.34 0.00 -0.60 0.00 0.00 54.58 53.55 3ima n ASN 82 Cb 0.51 -4.07 -0.08 0.00 -0.53 0.00 0.00 39.78 35.61 3ima n ASN 82 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ima s SER 83 N -2.57 5.55 -0.18 1.20 0.15 -0.53 -5.02 113.70 112.31 3ima s SER 83 Ca 0.28 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 57.03 3ima s SER 83 Cb -0.13 -1.60 0.08 0.00 -1.71 0.00 0.00 66.02 62.66 3ima s SER 83 CO 0.34 0.32 0.35 -0.75 1.20 0.00 0.00 173.24 174.71 3ima s LYS 84 N -1.37 0.26 -0.01 5.44 2.20 -1.26 -1.25 119.74 123.75 3ima s LYS 84 Ca 0.19 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.71 3ima s LYS 84 Cb -0.12 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 3ima s LYS 84 CO 0.09 -0.30 -0.10 0.15 -0.36 0.00 0.00 175.35 174.83 3ima s LYS 85 N 2.53 0.85 -0.48 4.03 1.02 -0.11 -4.97 119.74 122.61 3ima s LYS 85 Ca 0.01 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 3ima s LYS 85 Cb -0.12 -0.82 0.03 0.00 -0.52 0.00 0.00 37.83 36.40 3ima s LYS 85 CO -0.11 0.21 1.20 -1.17 -0.92 0.00 0.00 175.35 174.56 3ima s LEU 86 N -0.20 3.59 -0.03 3.17 2.96 -1.26 0.10 118.68 127.01 3ima s LEU 86 Ca 0.03 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3ima s LEU 86 Cb -0.04 -3.49 -0.26 0.00 0.50 0.00 0.00 46.19 42.90 3ima s LEU 86 CO -0.00 -1.33 0.72 -0.74 -1.32 0.00 0.00 176.35 173.68 3ima h HIS 87 N 9.58 0.33 -2.39 5.38 -0.00 -0.68 -3.48 115.15 123.88 3ima h HIS 87 Ca -0.24 -0.24 -0.07 0.00 -0.00 0.00 0.00 60.37 59.82 3ima h HIS 87 Cb 1.07 -0.01 -0.18 0.00 -0.00 0.00 0.00 27.41 28.28 3ima h HIS 87 CO 0.99 1.36 0.08 -2.00 -0.00 0.00 0.00 177.93 178.36 3ima s GLU 88 N -2.60 1.01 -0.27 5.26 2.12 -1.09 -4.95 118.70 118.17 3ima s GLU 88 Ca -0.10 0.04 -0.07 0.00 0.36 0.00 0.00 54.97 55.19 3ima s GLU 88 Cb 0.07 0.47 0.13 0.00 0.26 0.00 0.00 34.13 35.06 3ima s GLU 88 CO 0.83 -0.33 0.56 0.12 -0.54 0.00 0.00 175.26 175.90 3ima s PHE 89 N -1.64 -1.20 -0.10 5.30 5.36 -1.26 -0.72 117.98 123.72 3ima s PHE 89 Ca -0.09 1.92 -0.30 0.00 -0.96 0.00 0.00 56.93 57.50 3ima s PHE 89 Cb -0.01 0.58 0.12 0.00 -0.34 0.00 0.00 43.02 43.37 3ima s PHE 89 CO 0.05 -0.65 0.95 -1.54 -1.46 0.00 0.00 175.22 172.57 3ima s SER 90 N 2.79 -0.38 0.00 6.13 1.04 -0.69 -4.99 113.70 117.60 3ima s SER 90 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 3ima s SER 90 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3ima s SER 90 CO -0.17 -0.45 0.29 -0.81 0.98 0.00 0.00 173.24 173.08