#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx s ILE 18 N 0.00 3.84 0.23 1.47 1.10 -1.26 -3.49 121.20 123.08 2vtx s ILE 18 Ca 0.00 1.76 0.11 0.00 -0.51 0.00 0.00 60.65 62.01 2vtx s ILE 18 Cb 0.00 -4.12 -0.05 0.00 0.15 0.00 0.00 42.46 38.44 2vtx s ILE 18 CO 0.00 0.38 -0.19 0.86 -2.11 0.00 0.00 174.94 173.88 2vtx s TRP 19 N -0.87 2.36 -0.15 3.50 -0.00 0.17 -4.98 118.94 118.97 2vtx s TRP 19 Ca 0.45 -0.32 -0.19 0.00 -0.00 0.00 0.00 56.10 56.04 2vtx s TRP 19 Cb -0.29 -1.10 0.05 0.00 -0.00 0.00 0.00 33.47 32.13 2vtx s TRP 19 CO 0.36 0.60 0.49 0.20 -0.00 0.00 0.00 176.95 178.60 2vtx s GLY 20 N -3.09 -0.36 0.13 5.86 0.00 -1.26 -0.05 107.32 108.54 2vtx s GLY 20 Ca 0.26 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.23 2vtx s GLY 20 CO 0.13 1.02 -0.05 0.00 0.00 0.00 0.00 173.10 174.20 2vtx s GLU 22 N -3.84 3.37 -0.04 0.00 2.12 -1.26 -1.65 118.70 117.39 2vtx s GLU 22 Ca 0.16 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 2vtx s GLU 22 Cb 0.05 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 2vtx s GLU 22 CO -0.02 0.21 0.05 -0.51 -0.54 0.00 0.00 175.26 174.46 2vtx s LEU 23 N 0.35 3.82 0.00 2.70 1.43 0.18 -4.96 118.68 122.20 2vtx s LEU 23 Ca -0.11 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2vtx s LEU 23 Cb -0.16 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.04 2vtx s LEU 23 CO 0.06 0.33 0.73 -0.46 0.23 0.00 0.00 176.35 177.24 2vtx n ASN 24 N 1.62 -2.13 0.04 2.29 0.23 -0.83 -1.37 115.26 115.11 2vtx n ASN 24 Ca -0.16 -2.65 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 2vtx n ASN 24 Cb 0.53 3.59 0.31 0.00 -2.08 0.00 0.00 39.78 42.13 2vtx n ASN 24 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2vtx h GLU 25 N 0.00 0.42 -0.10 -3.83 4.11 -1.60 -0.95 114.58 112.63 2vtx h GLU 25 Ca -0.32 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 58.98 2vtx h GLU 25 Cb 1.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2vtx h GLU 25 CO 0.41 0.52 -0.01 1.96 0.07 0.00 0.00 179.01 181.97 2vtx h GLN 26 N 0.40 0.19 -3.29 1.06 7.50 -1.97 -3.36 115.11 115.64 2vtx h GLN 26 Ca 0.08 -0.07 -0.68 0.00 0.50 0.00 0.00 58.65 58.48 2vtx h GLN 26 Cb 0.41 -0.01 -0.37 0.00 0.05 0.00 0.00 27.48 27.55 2vtx h GLN 26 CO 0.02 0.47 -0.23 -0.80 -1.50 0.00 0.00 178.83 176.80 2vtx s ASN 27 N -5.74 5.66 0.40 1.46 0.01 -0.96 -4.91 114.94 110.87 2vtx s ASN 27 Ca -0.14 -3.68 0.16 0.00 -0.71 0.00 0.00 52.86 48.48 2vtx s ASN 27 Cb 0.05 -1.84 0.86 0.00 0.41 0.00 0.00 41.25 40.72 2vtx s ASN 27 CO 0.71 -0.18 1.87 0.11 -1.51 0.00 0.00 177.10 178.10 2vtx h LYS 28 N 5.96 0.00 -5.23 -0.60 1.57 -1.35 -2.21 116.57 114.71 2vtx h LYS 28 Ca 0.14 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.24 2vtx h LYS 28 Cb 0.81 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.78 2vtx h LYS 28 CO 0.81 0.31 -0.87 0.99 -0.57 0.00 0.00 179.45 180.12 2vtx s THR 29 N -4.18 2.05 -0.15 -0.16 2.01 -1.26 -0.75 115.64 113.20 2vtx s THR 29 Ca -0.03 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2vtx s THR 29 Cb 0.14 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 70.88 2vtx s THR 29 CO 0.70 0.55 -0.10 0.12 -0.69 0.00 0.00 174.62 175.20 2vtx s PHE 30 N 0.69 1.93 -0.50 4.92 5.36 -0.41 -5.02 117.98 124.95 2vtx s PHE 30 Ca -0.10 -1.14 -0.19 0.00 -0.96 0.00 0.00 56.93 54.54 2vtx s PHE 30 Cb -0.16 -1.44 0.06 0.00 -0.34 0.00 0.00 43.02 41.13 2vtx s PHE 30 CO 0.01 -0.63 0.62 -1.21 -1.46 0.00 0.00 175.22 172.55 2vtx s GLU 31 N 1.56 3.13 0.06 10.12 2.02 -1.26 -2.32 118.70 132.00 2vtx s GLU 31 Ca 0.03 -0.86 -0.28 0.00 0.02 0.00 0.00 54.97 53.87 2vtx s GLU 31 Cb -0.14 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.95 2vtx s GLU 31 CO -0.09 -1.20 0.91 0.12 0.02 0.00 0.00 175.26 175.01 2vtx s PHE 32 N 2.63 3.74 -0.01 1.61 5.36 -0.39 -4.95 117.98 125.97 2vtx s PHE 32 Ca 0.15 1.67 -0.05 0.00 -0.96 0.00 0.00 56.93 57.74 2vtx s PHE 32 Cb -0.19 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 2vtx s PHE 32 CO 0.12 0.16 0.10 0.21 -1.46 0.00 0.00 175.22 174.36 2vtx s LYS 33 N 0.28 0.32 2.73 10.12 2.47 -1.26 -1.62 119.74 132.78 2vtx s LYS 33 Ca 0.46 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 2vtx s LYS 33 Cb -0.22 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.29 2vtx s LYS 33 CO 0.27 -0.06 0.00 0.28 0.16 0.00 0.00 175.35 176.00 2vtx n VAL 34 N 2.11 0.00 -3.79 4.02 0.31 -1.26 -5.10 118.33 114.62 2vtx n VAL 34 Ca -0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.86 2vtx n VAL 34 Cb 0.57 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.52 2vtx n VAL 34 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2vtx n GLU 38 N -0.37 -2.41 0.00 5.55 -0.58 -1.26 -5.14 120.64 116.43 2vtx n GLU 38 Ca 0.00 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2vtx n GLU 38 Cb 0.00 -4.38 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 2vtx n GLU 38 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2vtx n GLU 39 N -4.28 0.00 -3.77 3.49 0.28 -1.26 -5.17 120.64 109.93 2vtx n GLU 39 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.66 2vtx n GLU 39 Cb 0.64 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.36 2vtx n GLU 39 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2vtx s LYS 40 N -3.01 0.05 0.00 3.44 1.02 -1.26 -4.75 119.74 115.23 2vtx s LYS 40 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.27 2vtx s LYS 40 Cb 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 2vtx s LYS 40 CO 0.00 -0.15 0.00 0.00 -0.92 0.00 0.00 175.35 174.28 2vtx n GLU 42 N 0.00 -3.19 -2.51 0.00 -0.00 -1.26 -4.94 120.64 108.74 2vtx n GLU 42 Ca 0.00 0.50 -0.42 0.00 -0.00 0.00 0.00 57.16 57.24 2vtx n GLU 42 Cb 0.00 -5.18 -0.03 0.00 -0.00 0.00 0.00 31.44 26.22 2vtx n GLU 42 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2vtx s HIS 43 N -2.85 3.53 0.49 -1.84 4.02 -1.26 -4.93 115.29 112.45 2vtx s HIS 43 Ca 0.30 1.46 -0.05 0.00 1.02 0.00 0.00 55.06 57.79 2vtx s HIS 43 Cb -0.16 -3.31 -0.03 0.00 -1.02 0.00 0.00 32.58 28.06 2vtx s HIS 43 CO 0.37 -0.82 0.80 -0.65 1.02 0.00 0.00 174.74 175.46 2vtx s GLN 44 N 0.76 3.48 -0.25 1.40 -0.21 -0.56 -4.58 119.66 119.70 2vtx s GLN 44 Ca 0.55 0.18 -0.08 0.00 0.02 0.00 0.00 55.36 56.03 2vtx s GLN 44 Cb -0.27 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 2vtx s GLN 44 CO 0.30 -0.26 0.08 -1.17 -2.12 0.00 0.00 175.29 172.12 2vtx s LEU 45 N -4.77 3.48 -0.27 2.90 2.96 0.16 -2.05 118.68 121.10 2vtx s LEU 45 Ca 0.48 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 2vtx s LEU 45 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2vtx s LEU 45 CO 0.45 -0.04 0.15 0.00 -1.32 0.00 0.00 176.35 175.60 2vtx s ALA 46 N 1.62 3.43 0.40 5.97 0.00 -0.17 -0.57 121.76 132.44 2vtx s ALA 46 Ca 0.06 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 2vtx s ALA 46 Cb -0.15 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.52 2vtx s ALA 46 CO 0.04 -0.52 1.07 -0.51 0.00 0.00 0.00 175.76 175.85 2vtx s LEU 47 N 1.69 4.15 -0.01 0.00 1.43 -0.70 -0.87 118.68 124.36 2vtx s LEU 47 Ca 0.07 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.27 2vtx s LEU 47 Cb -0.16 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 2vtx s LEU 47 CO 0.09 -0.54 -0.01 0.54 0.23 0.00 0.00 176.35 176.65 2vtx n ARG 48 N -0.06 0.03 -3.84 1.70 5.12 0.94 -4.67 116.66 115.89 2vtx n ARG 48 Ca 0.05 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.88 2vtx n ARG 48 Cb 0.49 -0.79 -0.05 0.00 -1.16 0.00 0.00 32.46 30.95 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 -2.03 0.04 -0.02 0.55 -4.23 -1.19 -1.16 115.64 107.61 2vtx s THR 49 Ca -0.02 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2vtx s THR 49 Cb 0.01 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.15 2vtx s THR 49 CO 0.03 -0.18 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.21 2vtx s VAL 50 N -3.92 0.26 -0.12 2.29 1.01 -0.67 -1.60 120.40 117.65 2vtx s VAL 50 Ca 0.13 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 2vtx s VAL 50 Cb 0.01 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.18 2vtx s VAL 50 CO -0.01 0.11 0.64 0.00 0.00 0.00 0.00 175.10 175.84 2vtx s LEU 52 N -0.63 4.25 0.55 0.00 1.43 -0.91 -0.05 118.68 123.31 2vtx s LEU 52 Ca -0.07 1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 2vtx s LEU 52 Cb -0.02 -3.66 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 2vtx s LEU 52 CO 0.06 -0.02 1.00 -0.83 0.23 0.00 0.00 176.35 176.79 2vtx s GLY 53 N -1.89 1.98 0.00 -3.19 0.00 -0.69 -4.93 107.32 98.61 2vtx s GLY 53 Ca 0.45 0.14 0.30 0.00 0.00 0.00 0.00 44.72 45.62 2vtx s GLY 53 CO 0.20 0.42 2.07 2.09 0.00 0.00 0.00 173.10 177.88 2vtx n ASP 54 N -1.89 0.00 -1.07 1.64 5.75 -1.26 -1.32 116.55 118.41 2vtx n ASP 54 Ca 0.07 -0.22 0.08 0.00 -0.01 0.00 0.00 54.79 54.71 2vtx n ASP 54 Cb 0.54 -0.26 0.26 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.26 3.15 -1.63 0.11 4.76 -1.26 -5.00 118.16 117.03 2vtx n LYS 55 Ca 0.15 -2.54 -0.45 0.00 -2.87 0.00 0.00 58.31 52.59 2vtx n LYS 55 Cb 0.23 -1.61 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 2vtx n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vtx n ALA 56 N 0.64 0.29 -1.15 7.82 0.00 -0.43 -4.84 120.51 122.83 2vtx n ALA 56 Ca 0.19 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.72 2vtx n ALA 56 Cb 0.69 -2.14 0.11 0.00 0.00 0.00 0.00 19.45 18.11 2vtx n ALA 56 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2vtx s LYS 57 N -0.90 1.88 -1.22 0.00 1.02 -1.26 -4.88 119.74 114.37 2vtx s LYS 57 Ca 0.65 1.55 -0.10 0.00 0.02 0.00 0.00 55.97 58.09 2vtx s LYS 57 Cb -0.70 -1.82 0.19 0.00 -0.52 0.00 0.00 37.83 34.98 2vtx s LYS 57 CO 0.55 -1.99 1.61 -3.47 -0.92 0.00 0.00 175.35 171.13 2vtx n ASP 58 N -3.30 5.33 -3.92 2.83 4.64 -1.26 -4.58 116.55 116.29 2vtx n ASP 58 Ca 0.12 -3.09 -0.09 0.00 -1.38 0.00 0.00 54.79 50.34 2vtx n ASP 58 Cb 0.51 -1.48 -0.05 0.00 -1.04 0.00 0.00 41.12 39.06 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 0.30 1.39 0.21 -0.67 -1.05 -1.26 -4.95 118.70 112.67 2vtx s GLU 59 Ca 0.39 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.79 2vtx s GLU 59 Cb 0.03 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.10 2vtx s GLU 59 CO 0.01 -0.56 1.07 -0.06 0.95 0.00 0.00 175.26 176.66 2vtx s PHE 60 N -3.96 3.66 -0.10 4.83 0.40 -1.26 -4.51 117.98 117.04 2vtx s PHE 60 Ca 0.17 1.69 0.03 0.00 -0.60 0.00 0.00 56.93 58.22 2vtx s PHE 60 Cb 0.00 -3.22 0.01 0.00 0.51 0.00 0.00 43.02 40.32 2vtx s PHE 60 CO 0.03 -0.38 -0.20 -1.01 0.70 0.00 0.00 175.22 174.37 2vtx s HIS 61 N -0.59 2.22 -0.07 0.36 3.76 -0.21 -3.53 115.29 117.23 2vtx s HIS 61 Ca 0.47 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2vtx s HIS 61 Cb -0.29 -1.52 0.02 0.00 1.11 0.00 0.00 32.58 31.90 2vtx s HIS 61 CO 0.36 -0.41 -0.07 0.42 -0.85 0.00 0.00 174.74 174.19 2vtx s ILE 62 N 0.55 0.78 -0.14 0.60 1.01 -0.71 -0.57 121.20 122.72 2vtx s ILE 62 Ca -0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2vtx s ILE 62 Cb -0.17 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2vtx s ILE 62 CO 0.05 0.29 -0.13 0.54 0.00 0.00 0.00 174.94 175.69 2vtx s VAL 63 N 1.10 2.97 0.08 2.92 0.11 -0.95 -1.10 120.40 125.53 2vtx s VAL 63 Ca -0.07 -0.68 0.09 0.00 -2.93 0.00 0.00 61.98 58.38 2vtx s VAL 63 Cb -0.14 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.43 2vtx s VAL 63 CO -0.01 0.52 -0.24 -1.83 -3.33 0.00 0.00 175.10 170.21 2vtx s GLU 64 N 0.46 1.43 -0.14 1.54 -1.05 0.98 -1.75 118.70 120.16 2vtx s GLU 64 Ca -0.10 -1.14 -0.23 0.00 -0.15 0.00 0.00 54.97 53.35 2vtx s GLU 64 Cb -0.16 -1.69 -0.02 0.00 -0.44 0.00 0.00 34.13 31.82 2vtx s GLU 64 CO 0.05 0.42 0.73 0.42 0.95 0.00 0.00 175.26 177.83 2vtx s ILE 65 N -0.95 4.97 -0.20 1.83 1.01 -0.67 -0.79 121.20 126.39 2vtx s ILE 65 Ca 0.10 1.45 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 2vtx s ILE 65 Cb -0.10 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2vtx s ILE 65 CO 0.04 0.12 0.11 -0.69 0.00 0.00 0.00 174.94 174.52 2vtx s VAL 66 N 1.65 5.16 0.07 2.92 1.01 0.33 -1.34 120.40 130.20 2vtx s VAL 66 Ca 0.35 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2vtx s VAL 66 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2vtx s VAL 66 CO 0.14 0.42 0.30 -0.62 0.00 0.00 0.00 175.10 175.34 2vtx s ASP 67 N 0.56 -0.09 0.09 3.32 2.15 -0.82 -3.93 116.67 117.95 2vtx s ASP 67 Ca 0.06 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 52.71 2vtx s ASP 67 Cb -0.12 0.38 -0.05 0.00 -0.30 0.00 0.00 42.92 42.83 2vtx s ASP 67 CO 0.00 -0.69 0.27 0.00 -0.17 0.00 0.00 175.17 174.59 2vtx s GLN 68 N -3.09 3.51 -0.27 4.34 1.03 -1.26 -1.53 119.66 122.38 2vtx s GLN 68 Ca -0.01 -0.31 -0.16 0.00 0.04 0.00 0.00 55.36 54.92 2vtx s GLN 68 Cb 0.01 -2.97 -0.03 0.00 0.03 0.00 0.00 33.01 30.05 2vtx s GLN 68 CO -0.07 0.56 0.42 -2.00 -2.54 0.00 0.00 175.29 171.66 2vtx s GLU 73 N -2.55 4.01 -0.09 9.60 2.12 -1.26 -5.12 118.70 125.41 2vtx s GLU 73 Ca 0.37 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.82 2vtx s GLU 73 Cb -0.13 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.62 2vtx s GLU 73 CO 0.27 -0.32 -0.09 0.21 -0.54 0.00 0.00 175.26 174.79 2vtx s LYS 74 N 2.16 1.54 0.17 4.30 2.20 -0.58 -5.17 119.74 124.35 2vtx s LYS 74 Ca 0.17 -0.29 0.11 0.00 -0.36 0.00 0.00 55.97 55.59 2vtx s LYS 74 Cb -0.16 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 2vtx s LYS 74 CO 0.10 -0.17 -0.21 -1.54 -0.36 0.00 0.00 175.35 173.17 2vtx s SER 75 N 1.35 3.62 -0.33 1.43 1.04 -1.26 -1.94 113.70 117.61 2vtx s SER 75 Ca -0.02 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.69 2vtx s SER 75 Cb -0.14 -0.37 0.10 0.00 0.10 0.00 0.00 66.02 65.71 2vtx s SER 75 CO -0.04 0.13 0.04 -0.69 0.98 0.00 0.00 173.24 173.66 2vtx s VAL 76 N -1.52 2.18 0.19 5.02 1.01 -0.45 -4.95 120.40 121.87 2vtx s VAL 76 Ca 0.20 -2.22 -0.33 0.00 0.00 0.00 0.00 61.98 59.64 2vtx s VAL 76 Cb -0.09 -2.58 -0.15 0.00 0.00 0.00 0.00 36.38 33.57 2vtx s VAL 76 CO 0.10 -0.55 1.32 -2.65 0.00 0.00 0.00 175.10 173.33 2vtx n PRO 77 N 4.31 1.60 0.00 2.72 -0.02 -1.26 -1.68 135.00 140.67 2vtx n PRO 77 Ca 0.02 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2vtx n PRO 77 Cb 0.42 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.97 0.00 -3.75 4.25 -5.35 -0.72 -4.92 119.36 110.84 2vtx n ILE 78 Ca 0.14 -0.06 -0.13 0.00 -0.27 0.00 0.00 62.75 62.43 2vtx n ILE 78 Cb 0.27 0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 38.57 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 -1.53 -0.83 -0.15 -1.28 0.00 -1.19 -5.03 121.76 111.75 2vtx s ALA 79 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2vtx s ALA 79 Cb 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2vtx s ALA 79 CO 0.00 -0.17 -0.17 0.99 0.00 0.00 0.00 175.76 176.41 2vtx s THR 80 N 0.34 1.77 0.27 0.00 2.01 -1.26 -2.24 115.64 116.54 2vtx s THR 80 Ca -0.01 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2vtx s THR 80 Cb -0.03 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 2vtx s THR 80 CO -0.01 0.49 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.58 2vtx s LEU 81 N 1.25 2.50 -0.28 4.42 1.43 0.27 -4.97 118.68 123.30 2vtx s LEU 81 Ca 0.01 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 2vtx s LEU 81 Cb -0.14 -0.66 0.08 0.00 0.03 0.00 0.00 46.19 45.50 2vtx s LEU 81 CO -0.09 -0.31 0.69 -0.75 0.23 0.00 0.00 176.35 176.13 2vtx s LYS 82 N -3.71 0.73 0.30 1.70 2.20 -0.33 -1.04 119.74 119.58 2vtx s LYS 82 Ca 0.29 1.19 0.06 0.00 -0.36 0.00 0.00 55.97 57.14 2vtx s LYS 82 Cb 0.03 0.18 0.77 0.00 -1.51 0.00 0.00 37.83 37.30 2vtx s LYS 82 CO 0.11 -0.14 1.72 -1.35 -0.36 0.00 0.00 175.35 175.33 2vtx h PRO 83 N 6.68 0.49 -0.22 4.03 0.11 -1.79 0.42 132.00 141.72 2vtx h PRO 83 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vtx h PRO 83 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2vtx h PRO 83 CO 0.14 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 2vtx n SER 84 N -4.96 2.73 0.02 -2.05 3.41 -1.26 -4.31 113.62 107.20 2vtx n SER 84 Ca 0.23 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2vtx n SER 84 Cb 0.66 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.05 0.27 -3.25 -1.33 2.08 -0.24 -5.04 119.36 112.90 2vtx n ILE 85 Ca 0.17 0.09 -0.05 0.00 0.56 0.00 0.00 62.75 63.53 2vtx n ILE 85 Cb 0.51 -1.36 -0.04 0.00 -0.75 0.00 0.00 39.64 38.01 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 -6.14 -1.06 0.00 1.39 2.96 0.13 -4.95 118.68 111.00 2vtx s LEU 86 Ca 0.00 -0.34 0.27 0.00 -0.22 0.00 0.00 54.13 53.85 2vtx s LEU 86 Cb 0.00 1.43 0.94 0.00 0.50 0.00 0.00 46.19 49.06 2vtx s LEU 86 CO 0.00 -0.31 1.68 -0.81 -1.32 0.00 0.00 176.35 175.59 2vtx n PRO 87 N 5.21 1.05 -3.87 0.98 -0.04 -1.23 -1.19 135.00 135.90 2vtx n PRO 87 Ca 0.04 -0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 62.84 2vtx n PRO 87 Cb 0.51 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.34 1.62 -0.03 0.54 0.23 -1.26 -2.15 119.30 115.91 2vtx s MET 88 Ca 0.29 -1.04 -0.03 0.00 -1.03 0.00 0.00 55.69 53.88 2vtx s MET 88 Cb 0.20 0.55 0.01 0.00 -1.53 0.00 0.00 34.83 34.05 2vtx s MET 88 CO 0.46 -0.71 0.09 0.00 -2.03 0.00 0.00 175.02 172.82 2vtx s ALA 89 N -3.94 -0.22 -0.09 3.16 0.00 -0.42 -4.99 121.76 115.25 2vtx s ALA 89 Ca 0.14 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.05 2vtx s ALA 89 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2vtx s ALA 89 CO 0.05 -0.07 0.63 0.99 0.00 0.00 0.00 175.76 177.36 2vtx s THR 90 N -0.20 5.09 -0.20 0.00 2.01 -1.26 -1.67 115.64 119.41 2vtx s THR 90 Ca -0.03 1.27 -0.11 0.00 0.31 0.00 0.00 61.69 63.14 2vtx s THR 90 Cb -0.02 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2vtx s THR 90 CO 0.00 0.27 0.16 -0.04 -0.69 0.00 0.00 174.62 174.32 2vtx s MET 91 N 0.81 4.20 -0.08 4.92 -1.94 -0.31 -4.95 119.30 121.94 2vtx s MET 91 Ca 0.33 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 2vtx s MET 91 Cb -0.17 -3.43 0.01 0.00 2.01 0.00 0.00 34.83 33.26 2vtx s MET 91 CO 0.15 0.27 -0.14 0.08 -0.01 0.00 0.00 175.02 175.38 2vtx s VAL 92 N 0.42 1.32 0.00 -6.03 1.01 -1.26 -4.45 120.40 111.42 2vtx s VAL 92 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2vtx s VAL 92 Cb -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2vtx s VAL 92 CO -0.01 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2vtx n GLY 93 N 3.94 1.75 3.61 4.51 0.00 -1.26 -4.98 105.19 112.76 2vtx n GLY 93 Ca -0.21 0.00 -0.43 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 -3.28 4.13 -0.11 -0.61 1.01 -1.26 -4.96 121.20 116.12 2vtx s ILE 94 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.86 2vtx s ILE 94 Cb 0.00 -4.43 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2vtx s ILE 94 CO 0.00 -0.84 -0.20 -1.61 0.00 0.00 0.00 174.94 172.29 2vtx s GLU 95 N 4.51 2.69 0.16 2.79 2.02 -1.26 -1.72 118.70 127.87 2vtx s GLU 95 Ca 0.53 -0.74 0.11 0.00 0.02 0.00 0.00 54.97 54.88 2vtx s GLU 95 Cb -0.10 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 2vtx s GLU 95 CO 0.30 0.04 -0.25 -0.51 0.02 0.00 0.00 175.26 174.86 2vtx s LEU 96 N 0.68 2.40 -0.36 1.80 1.43 0.27 -4.91 118.68 119.98 2vtx s LEU 96 Ca -0.12 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 2vtx s LEU 96 Cb -0.16 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2vtx s LEU 96 CO 0.02 0.15 0.76 -1.81 0.23 0.00 0.00 176.35 175.71 2vtx s ASP 97 N -2.32 6.53 0.61 2.29 1.01 -1.26 -0.66 116.67 122.87 2vtx s ASP 97 Ca 0.17 0.31 -0.19 0.00 0.71 0.00 0.00 52.55 53.55 2vtx s ASP 97 Cb -0.09 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2vtx s ASP 97 CO 0.08 -0.72 1.23 -2.65 0.21 0.00 0.00 175.17 173.32 2vtx n PRO 98 N 6.37 1.19 -3.10 8.23 -0.02 -1.26 -4.35 135.00 142.05 2vtx n PRO 98 Ca 0.02 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 2vtx n PRO 98 Cb 0.48 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2vtx n PRO 98 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2vtx s PRO 99 N -3.11 4.22 -0.04 0.52 0.04 -1.26 -5.01 135.00 130.36 2vtx s PRO 99 Ca 0.79 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2vtx s PRO 99 Cb -0.40 -2.80 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 2vtx s PRO 99 CO 0.44 0.35 -0.15 0.08 0.04 0.00 0.00 177.00 177.76 2vtx s VAL 100 N -1.60 1.26 -0.20 -0.36 1.01 -0.64 -5.01 120.40 114.86 2vtx s VAL 100 Ca 0.45 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2vtx s VAL 100 Cb -0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2vtx s VAL 100 CO 0.20 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.73 2vtx s THR 101 N 0.08 3.39 -0.10 3.92 2.01 -1.25 -1.26 115.64 122.43 2vtx s THR 101 Ca -0.04 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.37 2vtx s THR 101 Cb -0.11 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2vtx s THR 101 CO 0.02 0.44 0.22 -0.36 -0.69 0.00 0.00 174.62 174.24 2vtx s PHE 102 N 1.23 3.61 -0.04 4.92 0.40 -0.98 0.12 117.98 127.24 2vtx s PHE 102 Ca 0.03 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.94 2vtx s PHE 102 Cb -0.14 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2vtx s PHE 102 CO -0.02 0.64 0.13 0.50 0.70 0.00 0.00 175.22 177.18 2vtx s ARG 103 N -0.82 0.23 -0.95 0.44 3.52 0.03 -1.29 118.95 120.12 2vtx s ARG 103 Ca 0.17 0.05 -0.18 0.00 -0.13 0.00 0.00 55.73 55.63 2vtx s ARG 103 Cb -0.13 0.10 0.14 0.00 -1.56 0.00 0.00 34.95 33.50 2vtx s ARG 103 CO 0.06 -0.04 1.13 -1.17 -0.81 0.00 0.00 175.30 174.47 2vtx s LEU 104 N -0.27 5.16 0.51 -0.88 2.96 0.07 -0.01 118.68 126.21 2vtx s LEU 104 Ca -0.04 -2.17 0.17 0.00 -0.22 0.00 0.00 54.13 51.87 2vtx s LEU 104 Cb -0.03 -2.39 1.25 0.00 0.50 0.00 0.00 46.19 45.53 2vtx s LEU 104 CO 0.00 -1.00 2.12 0.50 -1.32 0.00 0.00 176.35 176.65 2vtx h LYS 105 N 8.62 0.00 -2.45 1.98 3.64 -1.44 -3.44 116.57 123.48 2vtx h LYS 105 Ca 0.17 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2vtx h LYS 105 Cb 1.01 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.61 2vtx h LYS 105 CO 1.10 0.05 -0.07 0.00 -2.27 0.00 0.00 179.45 178.26 2vtx s ALA 106 N -4.91 -1.32 0.00 5.00 0.00 -1.20 -4.93 121.76 114.40 2vtx s ALA 106 Ca -0.05 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2vtx s ALA 106 Cb 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2vtx s ALA 106 CO 0.66 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2vtx n GLY 107 N 2.35 2.22 0.07 0.00 0.00 -1.23 -1.75 105.19 106.86 2vtx n GLY 107 Ca -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 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 0.29 -0.69 1.61 3.41 -1.26 -4.59 113.62 112.39 2vtx n SER 108 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2vtx n SER 108 Cb 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 1.49 -1.29 3.76 5.00 0.00 -1.26 -1.79 105.19 111.11 2vtx n GLY 109 Ca -0.17 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2vtx n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vtx s PRO 110 N 0.00 4.11 -0.11 1.61 0.02 -1.26 -4.26 135.00 135.11 2vtx s PRO 110 Ca 0.00 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.63 2vtx s PRO 110 Cb 0.00 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.53 2vtx s PRO 110 CO 0.00 -0.62 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.71 2vtx s LEU 111 N -0.93 1.84 -0.14 -5.54 0.20 -0.47 -1.71 118.68 111.93 2vtx s LEU 111 Ca 0.61 -0.47 -0.05 0.00 0.69 0.00 0.00 54.13 54.90 2vtx s LEU 111 Cb -0.48 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 2vtx s LEU 111 CO 0.52 0.05 0.05 -0.31 -0.29 0.00 0.00 176.35 176.37 2vtx s TYR 112 N 0.85 3.28 -0.06 5.38 4.12 0.92 -0.65 117.35 131.20 2vtx s TYR 112 Ca -0.09 0.18 0.05 0.00 0.02 0.00 0.00 57.07 57.23 2vtx s TYR 112 Cb -0.15 -1.95 -0.02 0.00 -1.52 0.00 0.00 41.96 38.32 2vtx s TYR 112 CO -0.00 0.37 -0.20 0.42 0.02 0.00 0.00 175.55 176.16 2vtx s ILE 113 N -0.33 2.56 0.18 2.71 1.01 -0.66 -0.69 121.20 125.99 2vtx s ILE 113 Ca 0.08 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.94 2vtx s ILE 113 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2vtx s ILE 113 CO 0.02 0.57 -0.21 -0.94 0.00 0.00 0.00 174.94 174.38 2vtx s SER 114 N -0.39 3.12 0.03 3.58 1.04 -0.63 -1.59 113.70 118.87 2vtx s SER 114 Ca 0.04 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 2vtx s SER 114 Cb -0.12 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.79 2vtx s SER 114 CO 0.02 0.05 0.10 0.61 0.98 0.00 0.00 173.24 175.00 2vtx n GLY 115 N 0.24 1.59 3.09 7.32 0.00 0.92 -0.04 105.19 118.32 2vtx n GLY 115 Ca -0.12 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2vtx n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vtx s GLN 116 N -2.01 0.51 0.24 1.61 -0.21 -0.05 0.42 119.66 120.17 2vtx s GLN 116 Ca 0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 2vtx s GLN 116 Cb -0.00 0.20 -0.09 0.00 1.00 0.00 0.00 33.01 34.12 2vtx s GLN 116 CO 0.01 -0.12 1.23 -1.01 -2.12 0.00 0.00 175.29 173.28 2vtx s HIS 117 N -2.00 3.34 -0.00 0.91 3.76 -1.23 -1.00 115.29 119.06 2vtx s HIS 117 Ca -0.10 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.24 2vtx s HIS 117 Cb -0.05 -3.50 -0.00 0.00 1.11 0.00 0.00 32.58 30.14 2vtx s HIS 117 CO -0.02 -1.38 -0.04 0.08 -0.85 0.00 0.00 174.74 172.53 2vtx s VAL 118 N -0.44 0.34 -1.35 -0.90 1.01 -0.87 -4.87 120.40 113.31 2vtx s VAL 118 Ca 0.51 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.42 2vtx s VAL 118 Cb -0.35 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 35.82 2vtx s VAL 118 CO 0.41 0.10 0.84 0.00 0.00 0.00 0.00 175.10 176.45