#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mab s ASN 5 N 0.00 6.54 0.29 0.00 0.01 -1.26 -4.43 114.94 116.08 3mab s ASN 5 Ca 0.00 0.98 0.03 0.00 -0.71 0.00 0.00 52.86 53.17 3mab s ASN 5 Cb 0.00 -2.26 0.67 0.00 0.41 0.00 0.00 41.25 40.07 3mab s ASN 5 CO 0.00 -0.27 1.75 -0.07 -1.51 0.00 0.00 177.10 177.01 3mab h LEU 6 N 1.68 0.61 0.00 0.60 3.38 -1.91 -0.67 115.31 118.99 3mab h LEU 6 Ca -0.47 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mab h LEU 6 Cb 1.18 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3mab h LEU 6 CO 0.65 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.84 3mab n SER 7 N -4.86 0.00 -0.04 -0.43 3.41 -1.26 -1.86 113.62 108.58 3mab n SER 7 Ca 0.21 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.48 3mab n SER 7 Cb 0.55 -0.13 0.23 0.00 -0.26 0.00 0.00 64.21 64.60 3mab n SER 7 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mab n GLU 8 N -1.13 0.14 -2.59 4.33 1.02 -0.26 -4.84 120.64 117.31 3mab n GLU 8 Ca 0.15 -0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 3mab n GLU 8 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3mab n GLU 8 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mab s LEU 9 N -2.92 3.83 0.35 -4.62 1.43 -0.78 -4.99 118.68 110.98 3mab s LEU 9 Ca 0.13 1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 54.74 3mab s LEU 9 Cb 0.18 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 3mab s LEU 9 CO 0.69 -0.63 1.19 -2.65 0.23 0.00 0.00 176.35 175.17 3mab n PRO 10 N -0.99 1.83 -0.34 1.29 -0.02 -1.26 -2.68 135.00 132.83 3mab n PRO 10 Ca 0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3mab n PRO 10 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3mab n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mab n ASN 11 N 0.80 0.00 -4.41 2.55 3.02 -1.26 -3.73 115.26 112.24 3mab n ASN 11 Ca 0.07 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.17 3mab n ASN 11 Cb 0.36 -0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 38.69 3mab n ASN 11 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mab s ILE 12 N -2.44 4.87 0.97 2.41 1.01 -1.09 -4.88 121.20 122.05 3mab s ILE 12 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3mab s ILE 12 Cb 0.00 -4.39 0.20 0.00 0.01 0.00 0.00 42.46 38.28 3mab s ILE 12 CO 0.00 -0.96 1.30 -0.83 0.00 0.00 0.00 174.94 174.46 3mab s GLY 13 N 3.17 1.76 0.15 6.18 0.00 -1.26 -4.44 107.32 112.87 3mab s GLY 13 Ca 0.13 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 3mab s GLY 13 CO 0.09 -0.39 1.79 1.70 0.00 0.00 0.00 173.10 176.29 3mab h LYS 14 N -1.68 0.50 -0.34 2.90 3.64 -1.97 -0.98 116.57 118.65 3mab h LYS 14 Ca -0.45 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 3mab h LYS 14 Cb 1.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3mab h LYS 14 CO 0.39 0.35 -0.28 0.28 -2.27 0.00 0.00 179.45 177.92 3mab h VAL 15 N 0.49 1.29 -0.68 2.00 2.07 -1.99 -1.04 116.25 118.40 3mab h VAL 15 Ca 0.13 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 3mab h VAL 15 Cb -0.03 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3mab h VAL 15 CO -0.03 0.47 0.24 0.25 0.02 0.00 0.00 177.57 178.53 3mab h LEU 16 N 0.56 0.94 -0.31 2.57 5.85 -1.90 0.69 115.31 123.71 3mab h LEU 16 Ca 0.06 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3mab h LEU 16 Cb 0.86 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3mab h LEU 16 CO 0.07 0.86 0.08 -0.08 -0.34 0.00 0.00 178.44 179.04 3mab h GLU 17 N 0.99 0.20 -0.79 1.25 4.81 -0.90 0.33 114.58 120.48 3mab h GLU 17 Ca 0.23 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3mab h GLU 17 Cb 0.24 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3mab h GLU 17 CO -0.01 0.13 0.42 1.96 -0.73 0.00 0.00 179.01 180.78 3mab h GLN 18 N 0.21 1.10 -0.71 1.92 4.20 -0.68 -1.59 115.11 119.56 3mab h GLN 18 Ca 0.14 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3mab h GLN 18 Cb 0.14 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3mab h GLN 18 CO -0.17 0.82 0.16 -0.44 -0.67 0.00 0.00 178.83 178.54 3mab h ASP 19 N 1.10 1.09 -0.08 1.46 3.32 -0.42 -0.89 116.42 122.00 3mab h ASP 19 Ca 0.28 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mab h ASP 19 Cb 0.05 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3mab h ASP 19 CO -0.04 1.04 0.04 -0.07 -1.72 0.00 0.00 179.24 178.50 3mab h LEU 20 N 1.08 0.10 -0.59 1.55 3.38 -0.62 -1.61 115.31 118.59 3mab h LEU 20 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mab h LEU 20 Cb 0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3mab h LEU 20 CO 0.00 0.15 0.39 0.40 0.09 0.00 0.00 178.44 179.47 3mab h ILE 21 N 0.04 1.16 -0.47 1.22 2.04 -1.03 -0.89 117.51 119.58 3mab h ILE 21 Ca 0.03 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3mab h ILE 21 Cb 0.07 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3mab h ILE 21 CO -0.00 0.15 0.31 0.11 0.00 0.00 0.00 178.15 178.72 3mab h LYS 22 N 0.81 0.49 -0.07 2.37 1.57 -1.01 1.00 116.57 121.72 3mab h LYS 22 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3mab h LYS 22 Cb -0.08 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3mab h LYS 22 CO -0.05 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 3mab n ALA 23 N -2.49 2.55 -0.55 3.86 0.00 -0.56 -4.91 120.51 118.42 3mab n ALA 23 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3mab n ALA 23 Cb 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3mab n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mab n GLY 24 N 0.85 0.70 3.16 0.00 0.00 0.34 -4.98 105.19 105.27 3mab n GLY 24 Ca 0.12 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3mab n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mab s ILE 25 N -2.00 3.53 -0.61 -0.61 1.01 -0.45 -4.97 121.20 117.11 3mab s ILE 25 Ca 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 60.65 58.91 3mab s ILE 25 Cb 0.00 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 3mab s ILE 25 CO 0.00 -0.62 0.51 0.29 0.00 0.00 0.00 174.94 175.12 3mab n LYS 26 N 4.69 3.08 -3.99 2.79 5.02 -1.26 -2.58 118.16 125.90 3mab n LYS 26 Ca -0.05 -0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 3mab n LYS 26 Cb 0.42 -1.05 -0.09 0.00 -0.02 0.00 0.00 35.03 34.29 3mab n LYS 26 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mab s THR 27 N -2.02 0.17 0.36 -0.18 -4.23 -1.26 -4.70 115.64 103.78 3mab s THR 27 Ca 0.05 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3mab s THR 27 Cb 0.09 -1.51 0.31 0.00 1.34 0.00 0.00 72.50 72.72 3mab s THR 27 CO 0.45 -0.76 1.92 -0.65 -0.54 0.00 0.00 174.62 175.03 3mab h PRO 28 N 2.92 0.72 -0.59 3.99 0.11 -1.88 -1.59 132.00 135.67 3mab h PRO 28 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3mab h PRO 28 Cb 1.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3mab h PRO 28 CO 0.60 0.47 0.17 -0.39 -0.21 0.00 0.00 178.00 178.65 3mab h VAL 29 N 0.74 1.24 -0.60 3.15 -1.51 -1.96 -1.01 116.25 116.29 3mab h VAL 29 Ca 0.37 -0.85 -0.06 0.00 -1.23 0.00 0.00 66.70 64.93 3mab h VAL 29 Cb 0.46 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 3mab h VAL 29 CO -0.15 0.32 0.13 -0.33 -1.23 0.00 0.00 177.57 176.31 3mab h GLU 30 N 0.84 0.95 -0.23 5.19 5.08 -1.82 0.10 114.58 124.69 3mab h GLU 30 Ca 0.19 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3mab h GLU 30 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3mab h GLU 30 CO -0.00 0.86 0.08 1.25 -1.00 0.00 0.00 179.01 180.19 3mab h LEU 31 N 0.91 0.33 -0.61 1.33 5.85 -1.05 -2.32 115.31 119.75 3mab h LEU 31 Ca 0.19 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mab h LEU 31 Cb 0.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3mab h LEU 31 CO 0.00 0.44 0.38 0.50 -0.34 0.00 0.00 178.44 179.43 3mab h LYS 32 N 0.20 0.81 -0.98 1.25 3.64 -0.88 0.11 116.57 120.73 3mab h LYS 32 Ca 0.07 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3mab h LYS 32 Cb 0.22 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3mab h LYS 32 CO -0.00 0.56 0.64 -0.44 -2.27 0.00 0.00 179.45 177.94 3mab h ASP 33 N 0.82 1.08 0.60 4.20 3.45 -0.81 -2.93 116.42 122.84 3mab h ASP 33 Ca 0.22 -0.02 -0.19 0.00 0.43 0.00 0.00 57.03 57.47 3mab h ASP 33 Cb -0.06 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.42 3mab h ASP 33 CO -0.04 0.76 -1.54 1.33 -1.57 0.00 0.00 179.24 178.17 3mab n VAL 34 N -4.44 1.21 0.00 -1.35 0.24 -0.89 -5.09 118.33 108.01 3mab n VAL 34 Ca 0.12 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3mab n VAL 34 Cb 0.06 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 3mab n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mab n GLY 35 N 1.44 -1.83 0.26 7.63 0.00 0.35 -4.26 105.19 108.77 3mab n GLY 35 Ca -0.12 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 3mab n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mab h SER 36 N 0.00 0.94 -0.23 1.61 4.64 -1.85 -1.37 113.55 117.30 3mab h SER 36 Ca 0.00 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3mab h SER 36 Cb 0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 3mab h SER 36 CO 0.00 1.24 -0.03 0.11 -0.87 0.00 0.00 176.83 177.28 3mab h LYS 37 N 0.70 0.43 -0.41 4.77 1.57 -1.94 0.36 116.57 122.05 3mab h LYS 37 Ca 0.04 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3mab h LYS 37 Cb 1.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3mab h LYS 37 CO 0.10 0.65 0.13 1.49 -0.57 0.00 0.00 179.45 181.25 3mab h GLU 38 N 0.18 0.64 -0.63 3.15 4.81 -1.73 -0.79 114.58 120.20 3mab h GLU 38 Ca 0.06 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3mab h GLU 38 Cb 0.47 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3mab h GLU 38 CO 0.02 0.63 0.38 0.00 -0.73 0.00 0.00 179.01 179.31 3mab h ALA 39 N 0.98 0.81 -0.39 2.92 0.00 -1.13 -1.49 119.26 120.96 3mab h ALA 39 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mab h ALA 39 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mab h ALA 39 CO -0.00 0.29 0.25 0.35 0.00 0.00 0.00 179.25 180.14 3mab h PHE 40 N 0.86 0.48 -0.87 0.00 3.57 -0.76 -2.10 116.94 118.11 3mab h PHE 40 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3mab h PHE 40 Cb -0.01 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3mab h PHE 40 CO -0.02 0.29 0.57 -0.07 -2.23 0.00 0.00 178.31 176.86 3mab h LEU 41 N 0.51 0.98 -0.72 0.59 3.38 -0.59 0.97 115.31 120.43 3mab h LEU 41 Ca 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3mab h LEU 41 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3mab h LEU 41 CO -0.05 0.69 0.31 0.03 0.09 0.00 0.00 178.44 179.51 3mab h ARG 42 N 1.15 1.06 -0.06 1.13 3.08 -0.86 0.61 114.38 120.49 3mab h ARG 42 Ca 0.33 -0.18 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 3mab h ARG 42 Cb -0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.79 3mab h ARG 42 CO -0.09 0.86 -0.81 -0.84 -1.07 0.00 0.00 179.97 178.02 3mab h ILE 43 N 1.02 1.37 -0.19 2.04 3.07 -0.90 -3.24 117.51 120.69 3mab h ILE 43 Ca 0.24 -2.22 -0.11 0.00 1.55 0.00 0.00 64.86 64.32 3mab h ILE 43 Cb 0.18 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 3mab h ILE 43 CO -0.02 0.67 -0.36 -0.25 -1.05 0.00 0.00 178.15 177.14 3mab h TRP 44 N 0.29 0.48 -0.64 0.16 7.01 -0.64 -1.39 115.95 121.22 3mab h TRP 44 Ca -0.05 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 60.84 3mab h TRP 44 Cb 1.41 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 28.33 3mab h TRP 44 CO 0.05 0.72 0.42 1.49 -2.79 0.00 0.00 178.44 178.34 3mab h GLU 45 N 0.35 0.82 0.00 2.65 4.81 -0.93 -2.39 114.58 119.90 3mab h GLU 45 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3mab h GLU 45 Cb 0.79 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3mab h GLU 45 CO 0.06 0.54 -0.42 -0.91 -0.73 0.00 0.00 179.01 177.55 3mab h ASN 46 N 0.84 0.00 -0.72 1.04 2.35 -1.42 -3.44 115.58 114.25 3mab h ASN 46 Ca 0.24 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3mab h ASN 46 Cb -0.06 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.12 3mab h ASN 46 CO -0.06 0.00 -0.32 -0.62 -1.65 0.00 0.00 177.43 174.79 3mab s ASP 47 N -5.83 -1.11 0.00 5.81 2.15 -0.59 -5.03 116.67 112.07 3mab s ASP 47 Ca 0.04 -0.49 0.22 0.00 0.43 0.00 0.00 52.55 52.75 3mab s ASP 47 Cb 0.07 1.44 1.25 0.00 -0.30 0.00 0.00 42.92 45.38 3mab s ASP 47 CO 0.72 -0.13 1.71 -1.54 -0.17 0.00 0.00 175.17 175.76 3mab n SER 48 N 4.27 0.00 0.10 -0.34 3.41 -0.97 -2.25 113.62 117.84 3mab n SER 48 Ca 0.09 -0.45 0.12 0.00 -0.26 0.00 0.00 58.87 58.37 3mab n SER 48 Cb 0.59 -0.11 0.45 0.00 -0.26 0.00 0.00 64.21 64.88 3mab n SER 48 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mab n SER 49 N -1.11 0.64 -4.76 4.04 3.41 -1.26 -4.79 113.62 109.79 3mab n SER 49 Ca 0.14 0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 58.97 3mab n SER 49 Cb 0.11 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.31 3mab n SER 49 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3mab s VAL 50 N -3.19 2.33 0.00 -3.33 -7.23 -0.95 -4.95 120.40 103.09 3mab s VAL 50 Ca 0.08 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 3mab s VAL 50 Cb 0.11 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.89 3mab s VAL 50 CO 0.48 0.03 0.00 0.00 -0.31 0.00 0.00 175.10 175.30 3mab h MET 52 N 0.00 1.14 -0.66 0.00 4.05 -2.00 -0.69 114.93 116.77 3mab h MET 52 Ca 0.00 -0.09 0.14 0.00 -0.28 0.00 0.00 59.70 59.47 3mab h MET 52 Cb 0.00 -0.24 -0.12 0.00 -0.80 0.00 0.00 31.60 30.44 3mab h MET 52 CO 0.00 0.79 -0.08 0.77 0.23 0.00 0.00 176.91 178.62 3mab h SER 53 N 1.16 -0.46 -0.47 1.39 0.02 -1.99 -0.78 113.55 112.42 3mab h SER 53 Ca 0.31 0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 61.34 3mab h SER 53 Cb -0.07 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3mab h SER 53 CO -0.06 -0.18 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.03 3mab h GLU 54 N 0.05 0.94 -0.21 3.45 3.07 -1.53 -1.54 114.58 118.81 3mab h GLU 54 Ca 0.34 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3mab h GLU 54 Cb 0.55 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3mab h GLU 54 CO -0.63 0.98 0.08 1.25 -1.40 0.00 0.00 179.01 179.30 3mab h LEU 55 N 0.84 0.29 -0.61 1.33 5.85 -0.83 -0.72 115.31 121.46 3mab h LEU 55 Ca 0.14 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3mab h LEU 55 Cb 0.62 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3mab h LEU 55 CO 0.04 0.38 0.31 1.88 -0.34 0.00 0.00 178.44 180.71 3mab h TYR 56 N 0.18 0.57 -0.75 1.25 0.05 -1.14 -1.68 116.97 115.46 3mab h TYR 56 Ca 0.07 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.92 3mab h TYR 56 Cb 0.18 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 3mab h TYR 56 CO -0.01 0.25 0.46 0.00 -1.05 0.00 0.00 178.16 177.81 3mab h ALA 57 N 1.34 1.00 -0.36 3.88 0.00 -0.91 -0.22 119.26 123.99 3mab h ALA 57 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3mab h ALA 57 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mab h ALA 57 CO -0.20 0.22 -0.08 -0.07 0.00 0.00 0.00 179.25 179.12 3mab h LEU 58 N 0.88 0.70 -0.52 0.00 3.38 -0.86 0.44 115.31 119.32 3mab h LEU 58 Ca 0.31 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3mab h LEU 58 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3mab h LEU 58 CO -0.14 0.90 -0.07 -0.08 0.09 0.00 0.00 178.44 179.14 3mab h GLU 59 N 0.49 0.98 -0.77 1.13 4.57 -1.07 -1.26 114.58 118.64 3mab h GLU 59 Ca 0.09 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3mab h GLU 59 Cb 0.59 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 3mab h GLU 59 CO 0.03 1.02 0.44 0.78 -1.18 0.00 0.00 179.01 180.10 3mab h GLY 60 N 0.84 1.15 0.84 1.92 0.00 -0.91 -1.01 103.07 105.91 3mab h GLY 60 Ca 0.14 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3mab h GLY 60 CO 0.04 0.49 0.19 0.00 0.00 0.00 0.00 176.54 177.26 3mab h ALA 61 N 1.23 0.46 -0.89 3.60 0.00 -0.54 0.42 119.26 123.54 3mab h ALA 61 Ca 0.27 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3mab h ALA 61 Cb 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3mab h ALA 61 CO -0.05 -0.17 0.57 0.28 0.00 0.00 0.00 179.25 179.89 3mab h VAL 62 N 0.40 1.10 -0.00 0.00 2.07 -0.86 -1.97 116.25 116.99 3mab h VAL 62 Ca 0.16 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3mab h VAL 62 Cb 0.05 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3mab h VAL 62 CO -0.10 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 3mab n GLN 63 N -4.56 0.32 -2.46 1.57 6.02 -0.42 -4.94 117.38 112.92 3mab n GLN 63 Ca 0.12 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.93 3mab n GLN 63 Cb 0.13 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.90 3mab n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mab n GLY 64 N 1.38 0.04 3.02 1.08 0.00 0.00 -5.05 105.19 105.66 3mab n GLY 64 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 3mab n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mab s ILE 65 N -2.72 0.19 0.37 -0.61 -4.36 -0.39 -4.93 121.20 108.75 3mab s ILE 65 Ca 0.09 -1.21 -0.28 0.00 -0.26 0.00 0.00 60.65 58.99 3mab s ILE 65 Cb -0.04 -0.69 -0.11 0.00 1.25 0.00 0.00 42.46 42.87 3mab s ILE 65 CO 0.11 -0.65 1.43 -2.11 0.24 0.00 0.00 174.94 173.97 3mab n ARG 66 N 1.11 2.50 0.29 0.37 1.85 -1.26 -4.10 116.66 117.42 3mab n ARG 66 Ca -0.21 0.88 0.14 0.00 -1.00 0.00 0.00 57.85 57.67 3mab n ARG 66 Cb 0.57 -2.58 0.87 0.00 -1.05 0.00 0.00 32.46 30.27 3mab n ARG 66 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3mab h TRP 67 N 2.79 0.00 -0.15 2.89 5.08 -1.90 -0.82 115.95 123.85 3mab h TRP 67 Ca -0.49 0.00 0.04 0.00 1.08 0.00 0.00 58.89 59.52 3mab h TRP 67 Cb 1.26 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 3mab h TRP 67 CO 0.52 0.03 0.11 0.45 -1.28 0.00 0.00 178.44 178.27 3mab h HIS 68 N 0.00 0.00 -0.05 0.12 3.86 -1.94 -1.62 115.15 115.51 3mab h HIS 68 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mab h HIS 68 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3mab h HIS 68 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3mab n GLY 69 N -1.56 -0.20 3.76 2.45 0.00 -0.31 -4.94 105.19 104.39 3mab n GLY 69 Ca 0.01 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3mab n GLY 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mab n LEU 70 N -0.09 4.55 -4.71 0.99 4.77 -0.61 -4.94 117.00 116.96 3mab n LEU 70 Ca 0.19 1.22 -0.34 0.00 -0.03 0.00 0.00 56.01 57.05 3mab n LEU 70 Cb 0.27 -1.59 0.11 0.00 -2.33 0.00 0.00 43.42 39.88 3mab n LEU 70 CO 0.15 0.02 0.79 1.51 -1.33 0.00 0.00 177.39 178.53 3mab s ASP 71 N -0.18 3.92 0.26 -1.43 1.47 -1.26 -4.80 116.67 114.65 3mab s ASP 71 Ca 0.54 2.38 -0.03 0.00 1.18 0.00 0.00 52.55 56.62 3mab s ASP 71 Cb -0.49 -2.59 0.34 0.00 -0.34 0.00 0.00 42.92 39.84 3mab s ASP 71 CO 0.63 -2.45 1.80 -0.08 0.68 0.00 0.00 175.17 175.75 3mab h GLU 72 N -0.56 0.88 -0.82 2.11 4.57 -1.99 -1.31 114.58 117.47 3mab h GLU 72 Ca -0.47 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 57.50 3mab h GLU 72 Cb 1.30 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3mab h GLU 72 CO 0.48 0.80 0.46 0.00 -1.18 0.00 0.00 179.01 179.57 3mab h ALA 73 N 1.29 1.05 -0.36 2.92 0.00 -1.99 -1.26 119.26 120.90 3mab h ALA 73 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3mab h ALA 73 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mab h ALA 73 CO 0.00 0.55 -0.12 -0.22 0.00 0.00 0.00 179.25 179.46 3mab h LYS 74 N 1.14 0.72 -0.80 0.00 1.63 -1.80 -0.89 116.57 116.57 3mab h LYS 74 Ca 0.29 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3mab h LYS 74 Cb 0.01 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 3mab h LYS 74 CO -0.05 0.89 0.52 0.87 -3.45 0.00 0.00 179.45 178.23 3mab h LYS 75 N 0.52 1.06 -0.63 1.90 1.57 -0.97 -1.13 116.57 118.89 3mab h LYS 75 Ca 0.09 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3mab h LYS 75 Cb 0.64 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3mab h LYS 75 CO 0.04 0.71 0.10 0.82 -0.57 0.00 0.00 179.45 180.55 3mab h ILE 76 N 1.09 1.26 -0.71 1.86 2.04 -1.07 -0.46 117.51 121.51 3mab h ILE 76 Ca 0.29 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.18 3mab h ILE 76 Cb -0.11 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3mab h ILE 76 CO -0.06 0.38 0.43 -0.08 0.00 0.00 0.00 178.15 178.82 3mab h GLU 77 N 0.95 0.80 -0.25 2.37 4.81 -0.72 -0.88 114.58 121.67 3mab h GLU 77 Ca 0.19 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 3mab h GLU 77 Cb 0.43 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3mab h GLU 77 CO 0.01 0.53 -0.53 -0.07 -0.73 0.00 0.00 179.01 178.23 3mab h LEU 78 N 0.83 0.89 -0.82 1.64 3.38 -0.91 -2.27 115.31 118.04 3mab h LEU 78 Ca 0.30 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3mab h LEU 78 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3mab h LEU 78 CO -0.14 1.28 0.49 0.50 0.09 0.00 0.00 178.44 180.66 3mab h LYS 79 N 0.54 1.11 -0.53 1.13 3.64 -0.83 -0.64 116.57 121.00 3mab h LYS 79 Ca 0.00 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3mab h LYS 79 Cb 1.14 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 3mab h LYS 79 CO 0.12 0.79 0.29 0.87 -2.27 0.00 0.00 179.45 179.24 3mab h LYS 80 N 1.12 0.74 -0.08 1.90 1.79 -0.99 0.43 116.57 121.48 3mab h LYS 80 Ca 0.29 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3mab h LYS 80 Cb -0.04 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3mab h LYS 80 CO -0.05 0.57 0.05 0.35 -1.08 0.00 0.00 179.45 179.28 3mab h PHE 81 N 0.71 0.10 -0.48 -1.35 3.57 -1.07 -1.86 116.94 116.56 3mab h PHE 81 Ca 0.19 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3mab h PHE 81 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3mab h PHE 81 CO -0.02 0.11 0.07 1.25 -2.23 0.00 0.00 178.31 177.50 3mab h HIS 82 N 0.07 0.85 -0.59 0.41 2.76 -0.86 -1.35 115.15 116.44 3mab h HIS 82 Ca 0.03 -0.12 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3mab h HIS 82 Cb 0.04 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 3mab h HIS 82 CO -0.06 0.79 0.36 1.96 -1.30 0.00 0.00 177.93 179.68 3mab h GLN 83 N 0.67 0.68 -0.75 5.26 4.20 -0.84 -1.81 115.11 122.51 3mab h GLN 83 Ca 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3mab h GLN 83 Cb 0.40 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3mab h GLN 83 CO 0.01 0.45 0.38 0.77 -0.67 0.00 0.00 178.83 179.77 3mab h SER 84 N 0.71 0.96 0.12 1.46 0.02 -0.68 -0.15 113.55 115.99 3mab h SER 84 Ca 0.24 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3mab h SER 84 Cb 0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3mab h SER 84 CO -0.11 0.80 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.99 3mab h LEU 85 N 1.06 0.32 -3.29 5.07 3.38 -0.61 -3.06 115.31 118.18 3mab h LEU 85 Ca 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mab h LEU 85 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mab h LEU 85 CO -0.04 0.63 0.00 -0.62 0.09 0.00 0.00 178.44 178.51 3mab n GLU 86 N -4.09 4.48 -0.45 1.13 -0.58 -0.74 -4.88 120.64 115.51 3mab n GLU 86 Ca -0.01 -2.84 0.00 0.00 -0.42 0.00 0.00 57.16 53.89 3mab n GLU 86 Cb 0.43 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 3mab n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mab n GLY 87 N 0.59 1.16 2.36 0.62 0.00 -1.08 -5.02 105.19 103.83 3mab n GLY 87 Ca 0.25 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3mab n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mab n HIS 88 N -2.10 1.11 -1.68 1.61 8.25 -0.11 -5.02 115.22 117.28 3mab n HIS 88 Ca 0.00 -3.84 -0.35 0.00 -0.26 0.00 0.00 57.72 53.26 3mab n HIS 88 Cb 0.07 -0.43 0.07 0.00 1.12 0.00 0.00 29.99 30.82 3mab n HIS 88 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3mab s HIS 89 N -2.52 2.15 0.66 4.41 3.76 -1.26 -3.76 115.29 118.72 3mab s HIS 89 Ca 0.41 1.54 -0.17 0.00 -0.15 0.00 0.00 55.06 56.70 3mab s HIS 89 Cb 0.31 -3.54 -0.00 0.00 1.11 0.00 0.00 32.58 30.46 3mab s HIS 89 CO -0.09 -2.60 1.24 -3.38 -0.85 0.00 0.00 174.74 169.06 3mab s HIS 90 N -1.71 2.15 -2.22 1.40 -3.43 -1.26 -5.01 115.29 105.21 3mab s HIS 90 Ca 0.78 1.53 0.18 0.00 -0.80 0.00 0.00 55.06 56.74 3mab s HIS 90 Cb -0.32 -3.56 0.14 0.00 -1.43 0.00 0.00 32.58 27.41 3mab s HIS 90 CO 0.40 -2.63 1.06 0.72 -2.00 0.00 0.00 174.74 172.30