#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx s LEU 17 N 0.00 3.00 -0.08 -2.67 2.96 -1.26 -4.98 118.68 115.66 2vtx s LEU 17 Ca 0.00 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 2vtx s LEU 17 Cb 0.00 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2vtx s LEU 17 CO 0.00 0.23 0.98 -0.51 -1.32 0.00 0.00 176.35 175.73 2vtx s ILE 18 N -1.08 4.82 0.11 6.68 1.10 -1.26 -2.87 121.20 128.69 2vtx s ILE 18 Ca 0.19 2.02 0.09 0.00 -0.51 0.00 0.00 60.65 62.44 2vtx s ILE 18 Cb -0.11 -4.30 -0.04 0.00 0.15 0.00 0.00 42.46 38.16 2vtx s ILE 18 CO 0.10 0.06 -0.24 0.86 -2.11 0.00 0.00 174.94 173.61 2vtx s TRP 19 N 1.70 2.04 0.22 3.50 -0.00 0.97 -5.01 118.94 122.36 2vtx s TRP 19 Ca 0.49 -0.40 -0.22 0.00 -0.00 0.00 0.00 56.10 55.96 2vtx s TRP 19 Cb -0.19 -1.12 0.04 0.00 -0.00 0.00 0.00 33.47 32.20 2vtx s TRP 19 CO 0.21 0.26 0.74 0.20 -0.00 0.00 0.00 176.95 178.35 2vtx s GLY 20 N -1.91 -0.25 0.05 5.86 0.00 -1.26 0.04 107.32 109.85 2vtx s GLY 20 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 2vtx s GLY 20 CO 0.05 0.00 0.27 0.00 0.00 0.00 0.00 173.10 173.42 2vtx s GLU 22 N -2.70 3.79 -0.08 0.00 2.12 -1.26 -1.18 118.70 119.39 2vtx s GLU 22 Ca -0.04 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 2vtx s GLU 22 Cb -0.00 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2vtx s GLU 22 CO -0.04 -0.03 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.10 2vtx s LEU 23 N 1.20 3.35 0.00 2.70 1.43 -0.26 -4.96 118.68 122.14 2vtx s LEU 23 Ca 0.05 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2vtx s LEU 23 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2vtx s LEU 23 CO 0.04 0.37 0.40 -0.46 0.23 0.00 0.00 176.35 176.93 2vtx n ASN 24 N 2.19 -1.15 -0.14 2.29 0.23 -1.09 -1.58 115.26 116.01 2vtx n ASN 24 Ca -0.18 -2.24 -0.04 0.00 -0.53 0.00 0.00 54.58 51.59 2vtx n ASN 24 Cb 0.53 2.04 0.04 0.00 -2.08 0.00 0.00 39.78 40.31 2vtx n ASN 24 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2vtx h GLU 25 N 0.00 0.20 0.00 -3.83 4.57 -1.26 -1.12 114.58 113.15 2vtx h GLU 25 Ca -0.20 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 2vtx h GLU 25 Cb 0.83 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2vtx h GLU 25 CO 0.27 0.13 -0.11 1.96 -1.18 0.00 0.00 179.01 180.09 2vtx h GLN 26 N 0.21 0.00 -2.03 1.92 1.08 -1.98 -3.38 115.11 110.93 2vtx h GLN 26 Ca 0.22 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.85 2vtx h GLN 26 Cb 0.27 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.31 2vtx h GLN 26 CO -0.29 0.11 -1.03 0.09 -0.95 0.00 0.00 178.83 176.75 2vtx n ASN 27 N -3.26 0.81 0.00 1.46 3.02 -0.48 -4.97 115.26 111.84 2vtx n ASN 27 Ca 0.00 -2.84 0.08 0.00 -0.03 0.00 0.00 54.58 51.79 2vtx n ASN 27 Cb 0.36 -0.64 0.41 0.00 -0.61 0.00 0.00 39.78 39.30 2vtx n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vtx n LYS 28 N 1.22 0.28 -4.27 3.52 5.02 -0.83 -2.68 118.16 120.42 2vtx n LYS 28 Ca 0.23 0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 56.43 2vtx n LYS 28 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 2vtx n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2vtx s THR 29 N -2.46 1.18 -0.05 -0.18 2.01 -1.26 -1.53 115.64 113.36 2vtx s THR 29 Ca 0.17 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 2vtx s THR 29 Cb 0.11 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2vtx s THR 29 CO 0.23 -0.11 0.12 0.12 -0.69 0.00 0.00 174.62 174.29 2vtx s PHE 30 N -1.08 -0.13 -0.19 4.92 5.36 -0.93 -4.97 117.98 120.96 2vtx s PHE 30 Ca 0.00 0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 56.31 2vtx s PHE 30 Cb -0.09 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 2vtx s PHE 30 CO 0.02 -0.11 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.61 2vtx s GLU 31 N 0.62 3.44 -0.37 10.12 2.12 -1.26 -1.19 118.70 132.18 2vtx s GLU 31 Ca -0.05 -0.62 -0.19 0.00 0.36 0.00 0.00 54.97 54.47 2vtx s GLU 31 Cb -0.06 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2vtx s GLU 31 CO -0.03 -0.01 0.58 0.12 -0.54 0.00 0.00 175.26 175.38 2vtx s PHE 32 N 0.98 3.15 -0.14 5.30 5.36 0.62 -4.99 117.98 128.27 2vtx s PHE 32 Ca -0.00 0.20 -0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2vtx s PHE 32 Cb -0.15 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.46 2vtx s PHE 32 CO 0.00 -0.62 -0.13 0.15 -1.46 0.00 0.00 175.22 173.16 2vtx s LYS 33 N 2.57 3.35 0.00 10.12 1.02 -1.26 -2.60 119.74 132.93 2vtx s LYS 33 Ca 0.21 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2vtx s LYS 33 Cb -0.15 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2vtx s LYS 33 CO 0.15 0.16 0.00 1.33 -0.92 0.00 0.00 175.35 176.06 2vtx n VAL 34 N 3.68 0.00 0.00 3.17 0.24 -1.26 -5.10 118.33 119.06 2vtx n VAL 34 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2vtx n VAL 34 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2vtx n VAL 34 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2vtx n GLU 42 N 0.00 0.00 -3.40 7.34 2.13 -1.26 -5.16 120.64 120.29 2vtx n GLU 42 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2vtx n GLU 42 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2vtx n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2vtx s HIS 43 N 0.00 3.25 0.67 4.31 3.76 -1.26 -5.08 115.29 120.94 2vtx s HIS 43 Ca 0.00 0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.20 2vtx s HIS 43 Cb 0.00 -2.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.12 2vtx s HIS 43 CO 0.00 -0.22 1.07 -0.65 -0.85 0.00 0.00 174.74 174.09 2vtx s GLN 44 N 2.03 3.14 -0.27 1.40 -0.21 -1.25 -4.68 119.66 119.82 2vtx s GLN 44 Ca 0.15 0.58 -0.07 0.00 0.02 0.00 0.00 55.36 56.04 2vtx s GLN 44 Cb -0.16 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.80 2vtx s GLN 44 CO 0.10 -0.86 0.07 -1.17 -2.12 0.00 0.00 175.29 171.31 2vtx s LEU 45 N -5.30 3.57 -0.32 2.90 2.96 -0.07 -1.38 118.68 121.04 2vtx s LEU 45 Ca 0.57 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.90 2vtx s LEU 45 Cb -0.11 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2vtx s LEU 45 CO 0.53 -0.09 0.55 0.00 -1.32 0.00 0.00 176.35 176.01 2vtx s ALA 46 N 1.57 3.51 0.37 5.97 0.00 0.12 -1.02 121.76 132.28 2vtx s ALA 46 Ca 0.05 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.91 2vtx s ALA 46 Cb -0.16 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 2vtx s ALA 46 CO 0.03 -1.10 1.13 -0.51 0.00 0.00 0.00 175.76 175.31 2vtx s LEU 47 N 2.45 4.27 -0.00 0.00 1.43 -0.69 -0.20 118.68 125.94 2vtx s LEU 47 Ca 0.21 2.27 -0.03 0.00 -1.03 0.00 0.00 54.13 55.55 2vtx s LEU 47 Cb -0.15 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2vtx s LEU 47 CO 0.12 -0.50 -0.07 0.54 0.23 0.00 0.00 176.35 176.67 2vtx n ARG 48 N 0.33 0.11 -4.20 1.70 5.12 0.15 -4.63 116.66 115.24 2vtx n ARG 48 Ca 0.03 0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 2vtx n ARG 48 Cb 0.47 -0.68 -0.10 0.00 -1.16 0.00 0.00 32.46 30.98 2vtx n ARG 48 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2vtx s THR 49 N -2.14 0.06 -0.02 0.55 -4.23 -1.19 -0.73 115.64 107.94 2vtx s THR 49 Ca -0.06 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2vtx s THR 49 Cb 0.02 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.47 2vtx s THR 49 CO 0.09 -0.11 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.33 2vtx s VAL 50 N -4.10 0.37 0.11 2.29 1.01 -0.86 -0.47 120.40 118.74 2vtx s VAL 50 Ca 0.35 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2vtx s VAL 50 Cb 0.07 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2vtx s VAL 50 CO 0.10 0.16 0.32 0.00 0.00 0.00 0.00 175.10 175.68 2vtx s LEU 52 N -2.78 4.10 0.62 0.00 1.43 -0.79 0.31 118.68 121.56 2vtx s LEU 52 Ca 0.03 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2vtx s LEU 52 Cb 0.03 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2vtx s LEU 52 CO -0.11 0.01 0.99 -0.83 0.23 0.00 0.00 176.35 176.64 2vtx s GLY 53 N -3.52 1.62 0.00 -3.19 0.00 0.36 -4.91 107.32 97.68 2vtx s GLY 53 Ca 0.33 -0.28 0.24 0.00 0.00 0.00 0.00 44.72 45.01 2vtx s GLY 53 CO 0.27 -0.00 1.82 2.09 0.00 0.00 0.00 173.10 177.27 2vtx n ASP 54 N -2.72 0.00 -0.73 1.64 5.75 -1.26 -2.18 116.55 117.06 2vtx n ASP 54 Ca 0.05 -0.28 0.08 0.00 -0.01 0.00 0.00 54.79 54.63 2vtx n ASP 54 Cb 0.55 -0.20 0.21 0.00 -1.03 0.00 0.00 41.12 40.66 2vtx n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2vtx n LYS 55 N -1.20 2.80 -1.64 0.11 4.76 -1.26 -5.01 118.16 116.72 2vtx n LYS 55 Ca 0.14 -2.55 -0.35 0.00 -2.87 0.00 0.00 58.31 52.68 2vtx n LYS 55 Cb 0.16 -1.63 0.07 0.00 -1.84 0.00 0.00 35.03 31.79 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vtx s ALA 56 N -2.24 2.29 0.76 7.82 0.00 -0.93 -4.81 121.76 124.66 2vtx s ALA 56 Ca 0.34 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2vtx s ALA 56 Cb 0.26 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 20.00 2vtx s ALA 56 CO 0.10 -1.58 1.12 0.15 0.00 0.00 0.00 175.76 175.54 2vtx s LYS 57 N -3.78 2.25 -1.12 0.00 1.02 -1.26 -4.89 119.74 111.96 2vtx s LYS 57 Ca 0.74 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 56.77 2vtx s LYS 57 Cb -0.28 -2.02 0.28 0.00 -0.52 0.00 0.00 37.83 35.28 2vtx s LYS 57 CO 0.41 -1.36 1.31 -3.47 -0.92 0.00 0.00 175.35 171.32 2vtx n ASP 58 N -3.14 5.83 -3.96 2.83 4.64 -1.26 -4.59 116.55 116.90 2vtx n ASP 58 Ca 0.08 -3.18 -0.08 0.00 -1.38 0.00 0.00 54.79 50.22 2vtx n ASP 58 Cb 0.60 -1.36 -0.09 0.00 -1.04 0.00 0.00 41.12 39.24 2vtx n ASP 58 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 2vtx s GLU 59 N -1.60 0.71 0.12 -0.67 -1.05 -1.26 -4.94 118.70 110.02 2vtx s GLU 59 Ca 0.32 -1.02 -0.31 0.00 -0.15 0.00 0.00 54.97 53.81 2vtx s GLU 59 Cb -0.03 0.27 -0.10 0.00 -0.44 0.00 0.00 34.13 33.83 2vtx s GLU 59 CO -0.00 -0.19 1.82 -0.06 0.95 0.00 0.00 175.26 177.78 2vtx s PHE 60 N -3.66 2.16 -0.08 4.83 0.40 -1.26 -4.52 117.98 115.86 2vtx s PHE 60 Ca 0.04 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2vtx s PHE 60 Cb 0.05 -4.17 -0.03 0.00 0.51 0.00 0.00 43.02 39.38 2vtx s PHE 60 CO -0.09 -4.82 -0.04 -1.01 0.70 0.00 0.00 175.22 169.95 2vtx s HIS 61 N 2.72 3.02 -0.01 0.36 3.76 0.19 -3.74 115.29 121.59 2vtx s HIS 61 Ca 0.81 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.84 2vtx s HIS 61 Cb -0.46 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 2vtx s HIS 61 CO 0.36 0.37 -0.15 0.42 -0.85 0.00 0.00 174.74 174.90 2vtx s ILE 62 N -0.80 1.15 -0.04 0.60 1.01 -0.95 -0.67 121.20 121.50 2vtx s ILE 62 Ca 0.12 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2vtx s ILE 62 Cb -0.11 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 2vtx s ILE 62 CO 0.02 0.32 -0.15 0.54 0.00 0.00 0.00 174.94 175.66 2vtx s VAL 63 N -0.35 1.30 0.03 2.92 0.11 -0.63 -1.48 120.40 122.29 2vtx s VAL 63 Ca 0.06 -0.64 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2vtx s VAL 63 Cb -0.06 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2vtx s VAL 63 CO -0.01 0.38 -0.15 -1.83 -3.33 0.00 0.00 175.10 170.16 2vtx s GLU 64 N 0.07 1.06 -0.19 1.54 -1.05 -0.33 0.53 118.70 120.33 2vtx s GLU 64 Ca -0.04 -0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2vtx s GLU 64 Cb -0.11 -1.08 -0.01 0.00 -0.44 0.00 0.00 34.13 32.50 2vtx s GLU 64 CO 0.02 0.28 1.24 0.42 0.95 0.00 0.00 175.26 178.16 2vtx s ILE 65 N -0.70 4.32 -0.51 1.83 -1.09 0.52 -0.99 121.20 124.57 2vtx s ILE 65 Ca 0.04 1.58 -0.20 0.00 -2.23 0.00 0.00 60.65 59.83 2vtx s ILE 65 Cb -0.07 -4.06 0.05 0.00 -1.58 0.00 0.00 42.46 36.80 2vtx s ILE 65 CO 0.01 -0.19 0.68 -0.69 -1.23 0.00 0.00 174.94 173.52 2vtx s VAL 66 N 3.58 4.78 -0.84 2.92 1.01 0.61 -0.63 120.40 131.83 2vtx s VAL 66 Ca 0.53 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 2vtx s VAL 66 Cb -0.20 -4.34 0.06 0.00 0.00 0.00 0.00 36.38 31.90 2vtx s VAL 66 CO 0.15 -0.86 1.25 1.51 0.00 0.00 0.00 175.10 177.14 2vtx s ASP 67 N 2.70 6.34 -0.67 3.32 -4.77 -1.26 -3.37 116.67 118.96 2vtx s ASP 67 Ca 0.18 -1.12 0.03 0.00 -3.30 0.00 0.00 52.55 48.34 2vtx s ASP 67 Cb -0.18 -2.51 0.16 0.00 -1.09 0.00 0.00 42.92 39.30 2vtx s ASP 67 CO 0.13 -1.54 0.45 -1.10 0.70 0.00 0.00 175.17 173.82 2vtx s GLN 68 N 4.70 2.43 -0.09 2.11 1.11 -1.26 -4.83 119.66 123.83 2vtx s GLN 68 Ca 0.36 -3.05 -0.04 0.00 0.01 0.00 0.00 55.36 52.64 2vtx s GLN 68 Cb -0.07 -3.49 0.01 0.00 -1.01 0.00 0.00 33.01 28.46 2vtx s GLN 68 CO 0.02 -1.22 0.07 0.36 0.01 0.00 0.00 175.29 174.53 2vtx n LYS 74 N 2.49 -2.28 -3.81 2.91 -0.00 -1.26 -5.23 118.16 110.99 2vtx n LYS 74 Ca 0.14 1.95 -0.36 0.00 -0.00 0.00 0.00 58.31 60.04 2vtx n LYS 74 Cb 0.35 -2.53 -0.07 0.00 -0.00 0.00 0.00 35.03 32.77 2vtx n LYS 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2vtx s SER 75 N -0.55 6.33 -0.33 -5.58 1.04 -1.26 -4.68 113.70 108.67 2vtx s SER 75 Ca -0.08 0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 2vtx s SER 75 Cb 0.01 -2.08 0.07 0.00 0.10 0.00 0.00 66.02 64.11 2vtx s SER 75 CO 0.31 0.31 0.05 -0.69 0.98 0.00 0.00 173.24 174.20 2vtx s VAL 76 N -0.46 3.02 0.33 5.02 1.01 0.20 -4.97 120.40 124.55 2vtx s VAL 76 Ca 0.13 -1.60 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 2vtx s VAL 76 Cb -0.12 -2.85 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 2vtx s VAL 76 CO 0.02 -0.27 1.54 -2.65 0.00 0.00 0.00 175.10 173.73 2vtx n PRO 77 N 4.60 2.67 0.00 2.72 -0.02 -1.26 -0.36 135.00 143.35 2vtx n PRO 77 Ca -0.10 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2vtx n PRO 77 Cb 0.43 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2vtx n PRO 77 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2vtx n ILE 78 N 1.30 0.00 -3.77 4.25 -5.35 0.19 -4.88 119.36 111.09 2vtx n ILE 78 Ca 0.05 -0.08 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 2vtx n ILE 78 Cb 0.38 0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 38.67 2vtx n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vtx s ALA 79 N -1.38 -0.71 -0.06 -1.28 0.00 -1.05 -5.00 121.76 112.29 2vtx s ALA 79 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2vtx s ALA 79 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2vtx s ALA 79 CO 0.00 -0.14 -0.15 0.99 0.00 0.00 0.00 175.76 176.47 2vtx s THR 80 N 0.16 1.30 0.05 0.00 2.01 -1.26 -1.61 115.64 116.29 2vtx s THR 80 Ca -0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2vtx s THR 80 Cb -0.02 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 2vtx s THR 80 CO 0.00 0.39 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.51 2vtx s LEU 81 N 0.34 2.37 -0.18 4.42 1.43 0.16 -4.97 118.68 122.24 2vtx s LEU 81 Ca -0.10 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 2vtx s LEU 81 Cb -0.14 0.04 0.06 0.00 0.03 0.00 0.00 46.19 46.19 2vtx s LEU 81 CO 0.03 -0.40 0.44 -0.75 0.23 0.00 0.00 176.35 175.91 2vtx s LYS 82 N -2.65 0.44 0.28 1.70 2.20 -0.27 -0.64 119.74 120.79 2vtx s LYS 82 Ca -0.03 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 2vtx s LYS 82 Cb -0.02 0.02 0.59 0.00 -1.51 0.00 0.00 37.83 36.91 2vtx s LYS 82 CO -0.04 -0.15 1.78 -1.35 -0.36 0.00 0.00 175.35 175.23 2vtx h PRO 83 N 6.95 0.73 -0.07 4.03 0.11 -1.80 0.52 132.00 142.46 2vtx h PRO 83 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2vtx h PRO 83 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2vtx h PRO 83 CO 0.27 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 2vtx n SER 84 N -4.78 1.70 -0.03 -2.05 3.41 -1.26 -4.18 113.62 106.42 2vtx n SER 84 Ca 0.19 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 57.12 2vtx n SER 84 Cb 0.45 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 2vtx n SER 84 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2vtx n ILE 85 N 0.33 0.55 -3.24 -1.33 2.08 -0.48 -5.01 119.36 112.25 2vtx n ILE 85 Ca 0.18 -0.05 -0.04 0.00 0.56 0.00 0.00 62.75 63.40 2vtx n ILE 85 Cb 0.37 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.59 2vtx n ILE 85 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2vtx s LEU 86 N -6.53 -1.14 0.00 1.39 2.96 0.17 -4.94 118.68 110.59 2vtx s LEU 86 Ca -0.11 -0.32 0.18 0.00 -0.22 0.00 0.00 54.13 53.67 2vtx s LEU 86 Cb 0.04 1.51 0.63 0.00 0.50 0.00 0.00 46.19 48.87 2vtx s LEU 86 CO 0.14 -0.30 1.47 -0.81 -1.32 0.00 0.00 176.35 175.52 2vtx n PRO 87 N 5.18 1.78 -3.81 0.98 -0.04 -1.23 -1.11 135.00 136.74 2vtx n PRO 87 Ca 0.04 -1.18 -0.05 0.00 -0.04 0.00 0.00 63.50 62.27 2vtx n PRO 87 Cb 0.52 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2vtx n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vtx s MET 88 N -1.71 1.53 0.04 0.54 0.23 -1.26 -1.89 119.30 116.79 2vtx s MET 88 Ca 0.30 -0.87 -0.15 0.00 -1.03 0.00 0.00 55.69 53.94 2vtx s MET 88 Cb 0.16 0.50 0.02 0.00 -1.53 0.00 0.00 34.83 33.99 2vtx s MET 88 CO 0.24 -0.71 0.33 0.00 -2.03 0.00 0.00 175.02 172.85 2vtx s ALA 89 N -3.37 -0.76 -0.25 3.16 0.00 -0.22 -4.99 121.76 115.33 2vtx s ALA 89 Ca 0.13 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 2vtx s ALA 89 Cb -0.04 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2vtx s ALA 89 CO 0.05 -0.42 0.14 0.99 0.00 0.00 0.00 175.76 176.52 2vtx s THR 90 N -2.53 5.03 -0.00 0.00 2.01 -1.26 -2.04 115.64 116.84 2vtx s THR 90 Ca -0.05 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 2vtx s THR 90 Cb -0.01 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 2vtx s THR 90 CO -0.03 0.32 0.49 -0.04 -0.69 0.00 0.00 174.62 174.67 2vtx s MET 91 N 1.41 4.14 -0.05 4.92 -1.94 0.09 -5.00 119.30 122.87 2vtx s MET 91 Ca 0.07 0.55 0.01 0.00 -1.71 0.00 0.00 55.69 54.61 2vtx s MET 91 Cb -0.15 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.43 2vtx s MET 91 CO 0.07 0.52 -0.06 0.08 -0.01 0.00 0.00 175.02 175.62 2vtx s VAL 92 N -0.62 0.65 0.00 -6.03 1.01 -1.26 -4.52 120.40 109.63 2vtx s VAL 92 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2vtx s VAL 92 Cb -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2vtx s VAL 92 CO 0.15 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2vtx n GLY 93 N 4.15 1.59 3.58 4.51 0.00 -1.26 -4.97 105.19 112.79 2vtx n GLY 93 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2vtx n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vtx s ILE 94 N -3.39 3.75 -0.07 -0.61 1.01 -1.26 -4.96 121.20 115.66 2vtx s ILE 94 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.35 2vtx s ILE 94 Cb 0.00 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2vtx s ILE 94 CO 0.00 -1.05 -0.22 -1.61 0.00 0.00 0.00 174.94 172.06 2vtx s GLU 95 N 5.57 2.72 -0.03 2.79 2.02 -1.26 -1.70 118.70 128.81 2vtx s GLU 95 Ca 0.56 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.73 2vtx s GLU 95 Cb -0.12 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2vtx s GLU 95 CO 0.26 0.36 -0.09 -0.51 0.02 0.00 0.00 175.26 175.29 2vtx s LEU 96 N -0.09 1.80 -0.08 1.80 1.43 -0.19 -4.95 118.68 118.40 2vtx s LEU 96 Ca -0.05 -0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2vtx s LEU 96 Cb -0.14 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 2vtx s LEU 96 CO 0.04 0.07 0.77 -1.81 0.23 0.00 0.00 176.35 175.66 2vtx s ASP 97 N 0.18 7.04 0.33 2.29 1.01 -1.26 -0.89 116.67 125.36 2vtx s ASP 97 Ca -0.03 1.26 -0.27 0.00 0.71 0.00 0.00 52.55 54.21 2vtx s ASP 97 Cb -0.09 -2.45 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 2vtx s ASP 97 CO 0.01 -0.21 1.05 -2.16 0.21 0.00 0.00 175.17 174.07 2vtx s PRO 98 N 1.16 4.47 -0.17 8.23 0.04 -1.26 -4.33 135.00 143.15 2vtx s PRO 98 Ca 0.40 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2vtx s PRO 98 Cb -0.18 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2vtx s PRO 98 CO 0.18 0.11 0.35 -1.25 0.04 0.00 0.00 177.00 176.43 2vtx s PRO 99 N -1.87 4.24 0.09 0.56 0.04 -1.26 -4.81 135.00 131.99 2vtx s PRO 99 Ca 0.50 0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.78 2vtx s PRO 99 Cb -0.27 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2vtx s PRO 99 CO 0.34 0.13 -0.16 0.14 0.04 0.00 0.00 177.00 177.49 2vtx s VAL 100 N 0.77 1.36 -0.02 -0.36 -7.23 -1.07 -4.87 120.40 108.98 2vtx s VAL 100 Ca 0.19 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2vtx s VAL 100 Cb -0.14 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2vtx s VAL 100 CO 0.06 -0.22 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.56 2vtx s THR 101 N -1.44 1.50 -0.13 5.32 2.01 -1.22 -0.28 115.64 121.42 2vtx s THR 101 Ca 0.03 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2vtx s THR 101 Cb -0.09 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2vtx s THR 101 CO 0.03 0.42 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.92 2vtx s PHE 102 N -0.41 2.86 -0.04 4.92 0.40 -0.34 -0.29 117.98 125.10 2vtx s PHE 102 Ca 0.06 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 2vtx s PHE 102 Cb -0.08 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2vtx s PHE 102 CO -0.00 -0.11 -0.12 0.50 0.70 0.00 0.00 175.22 176.19 2vtx s ARG 103 N 0.21 1.30 -1.14 0.44 3.52 -0.16 -2.19 118.95 120.92 2vtx s ARG 103 Ca -0.06 -0.40 -0.21 0.00 -0.13 0.00 0.00 55.73 54.93 2vtx s ARG 103 Cb -0.15 -1.16 0.05 0.00 -1.56 0.00 0.00 34.95 32.13 2vtx s ARG 103 CO 0.04 0.13 1.62 -1.17 -0.81 0.00 0.00 175.30 175.11 2vtx s LEU 104 N 0.24 3.62 0.51 -0.88 2.96 -0.58 -1.19 118.68 123.37 2vtx s LEU 104 Ca -0.05 -1.87 0.24 0.00 -0.22 0.00 0.00 54.13 52.23 2vtx s LEU 104 Cb -0.11 -2.57 1.39 0.00 0.50 0.00 0.00 46.19 45.40 2vtx s LEU 104 CO 0.01 -1.48 2.09 0.50 -1.32 0.00 0.00 176.35 176.16 2vtx h LYS 105 N 8.88 0.00 -2.99 1.98 3.64 -1.59 -3.44 116.57 123.05 2vtx h LYS 105 Ca 0.31 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2vtx h LYS 105 Cb 0.95 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.61 2vtx h LYS 105 CO 1.43 0.11 -0.05 0.00 -2.27 0.00 0.00 179.45 178.67 2vtx s ALA 106 N -4.46 -1.12 0.00 5.00 0.00 -1.24 -4.93 121.76 115.03 2vtx s ALA 106 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2vtx s ALA 106 Cb 0.14 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2vtx s ALA 106 CO 0.61 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2vtx n GLY 107 N 0.36 2.64 0.09 0.00 0.00 -1.25 -2.23 105.19 104.80 2vtx n GLY 107 Ca -0.18 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 2vtx n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vtx n SER 108 N 0.00 0.60 -0.28 1.61 3.41 -1.26 -4.59 113.62 113.11 2vtx n SER 108 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2vtx n SER 108 Cb 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vtx n GLY 109 N 1.55 -1.52 3.70 5.00 0.00 -1.26 -0.88 105.19 111.77 2vtx n GLY 109 Ca -0.19 -1.26 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 2vtx n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vtx n PRO 110 N -0.57 2.43 -5.21 1.61 -0.02 -1.26 -4.19 135.00 127.80 2vtx n PRO 110 Ca 0.00 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.04 2vtx n PRO 110 Cb 0.00 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 30.67 2vtx n PRO 110 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vtx s LEU 111 N 0.61 2.15 0.02 2.45 0.20 -0.61 -0.49 118.68 123.01 2vtx s LEU 111 Ca 0.73 -0.49 0.07 0.00 0.69 0.00 0.00 54.13 55.13 2vtx s LEU 111 Cb -0.59 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 43.74 2vtx s LEU 111 CO 0.40 0.23 -0.19 -0.31 -0.29 0.00 0.00 176.35 176.19 2vtx s TYR 112 N -0.06 2.55 0.02 5.38 1.51 0.15 -1.10 117.35 125.80 2vtx s TYR 112 Ca -0.06 -0.27 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 2vtx s TYR 112 Cb -0.15 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 2vtx s TYR 112 CO 0.05 0.21 -0.20 0.42 -1.11 0.00 0.00 175.55 174.92 2vtx s ILE 113 N -0.86 1.57 0.15 2.71 1.01 -0.32 -1.62 121.20 123.83 2vtx s ILE 113 Ca 0.14 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2vtx s ILE 113 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2vtx s ILE 113 CO 0.04 0.27 -0.16 -0.94 0.00 0.00 0.00 174.94 174.15 2vtx s SER 114 N -0.92 2.34 0.13 3.58 1.04 0.38 -2.15 113.70 118.10 2vtx s SER 114 Ca 0.07 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.39 2vtx s SER 114 Cb -0.08 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.00 2vtx s SER 114 CO 0.01 -0.10 1.02 -0.83 0.98 0.00 0.00 173.24 174.31 2vtx s GLY 115 N -2.64 -0.23 0.00 7.32 0.00 0.11 0.33 107.32 112.21 2vtx s GLY 115 Ca 0.13 0.17 0.07 0.00 0.00 0.00 0.00 44.72 45.09 2vtx s GLY 115 CO 0.05 0.24 -0.21 1.20 0.00 0.00 0.00 173.10 174.37 2vtx s GLN 116 N -3.05 1.62 -0.12 2.90 -0.21 0.71 -0.02 119.66 121.49 2vtx s GLN 116 Ca 0.13 -0.81 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2vtx s GLN 116 Cb -0.01 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.34 2vtx s GLN 116 CO 0.02 0.44 1.64 -1.01 -2.12 0.00 0.00 175.29 174.25 2vtx s HIS 117 N -0.58 2.05 -2.41 0.91 3.76 -1.14 0.16 115.29 118.03 2vtx s HIS 117 Ca 0.08 0.37 0.19 0.00 -0.15 0.00 0.00 55.06 55.56 2vtx s HIS 117 Cb -0.08 -3.91 0.15 0.00 1.11 0.00 0.00 32.58 29.85 2vtx s HIS 117 CO -0.00 -3.42 1.11 1.33 -0.85 0.00 0.00 174.74 172.91