#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vtx n LEU 17 N 0.00 3.85 -4.75 -2.67 0.00 -1.26 -4.74 117.00 107.43 2vtx n LEU 17 Ca 0.00 1.18 -0.41 0.00 0.00 0.00 0.00 56.01 56.78 2vtx n LEU 17 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 43.42 41.87 2vtx n LEU 17 CO 0.00 -0.20 0.99 -0.51 0.00 0.00 0.00 177.39 177.67 2vtx s ILE 18 N -0.49 2.91 0.13 1.96 1.10 -1.26 -3.82 121.20 121.73 2vtx s ILE 18 Ca 0.61 0.83 0.10 0.00 -0.51 0.00 0.00 60.65 61.68 2vtx s ILE 18 Cb -0.56 -3.53 -0.04 0.00 0.15 0.00 0.00 42.46 38.49 2vtx s ILE 18 CO 0.55 0.16 -0.21 0.86 -2.11 0.00 0.00 174.94 174.19 2vtx s TRP 19 N -0.52 2.45 0.16 3.50 -0.00 0.16 -4.98 118.94 119.71 2vtx s TRP 19 Ca 0.53 -0.31 -0.18 0.00 -0.00 0.00 0.00 56.10 56.15 2vtx s TRP 19 Cb -0.39 -1.29 0.04 0.00 -0.00 0.00 0.00 33.47 31.83 2vtx s TRP 19 CO 0.46 0.39 0.48 0.20 -0.00 0.00 0.00 176.95 178.48 2vtx s GLY 20 N -2.21 -0.26 0.05 5.86 0.00 -1.26 -0.28 107.32 109.21 2vtx s GLY 20 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 2vtx s GLY 20 CO 0.09 -0.21 0.11 0.00 0.00 0.00 0.00 173.10 173.08 2vtx s GLU 22 N -2.91 3.46 -0.08 0.00 2.12 -1.26 -1.69 118.70 118.34 2vtx s GLU 22 Ca -0.02 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 54.65 2vtx s GLU 22 Cb 0.01 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2vtx s GLU 22 CO -0.06 -0.23 0.17 -0.51 -0.54 0.00 0.00 175.26 174.09 2vtx s LEU 23 N 1.54 4.39 0.00 2.70 1.43 0.62 -4.93 118.68 124.43 2vtx s LEU 23 Ca 0.06 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 2vtx s LEU 23 Cb -0.15 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.89 2vtx s LEU 23 CO 0.01 0.37 0.80 -0.46 0.23 0.00 0.00 176.35 177.29 2vtx n ASN 24 N 1.71 -2.08 -0.29 2.29 0.23 -0.82 -0.89 115.26 115.40 2vtx n ASN 24 Ca -0.17 -2.38 -0.06 0.00 -0.53 0.00 0.00 54.58 51.43 2vtx n ASN 24 Cb 0.54 3.45 0.06 0.00 -2.08 0.00 0.00 39.78 41.76 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 1.20 -0.16 -3.83 4.81 -1.70 -2.47 114.58 112.43 2vtx h GLU 25 Ca -0.31 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 2vtx h GLU 25 Cb 1.17 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2vtx h GLU 25 CO 0.39 0.97 -0.11 1.96 -0.73 0.00 0.00 179.01 181.49 2vtx h GLN 26 N 1.16 0.37 -3.20 1.92 7.50 -1.97 -3.38 115.11 117.51 2vtx h GLN 26 Ca 0.26 -0.18 -0.67 0.00 0.50 0.00 0.00 58.65 58.57 2vtx h GLN 26 Cb 0.23 -0.00 -0.38 0.00 0.05 0.00 0.00 27.48 27.37 2vtx h GLN 26 CO -0.02 0.71 -0.30 0.09 -1.50 0.00 0.00 178.83 177.80 2vtx n ASN 27 N -4.58 3.69 0.21 1.46 3.02 -1.12 -4.90 115.26 113.04 2vtx n ASN 27 Ca -0.06 -3.18 0.06 0.00 -0.03 0.00 0.00 54.58 51.37 2vtx n ASN 27 Cb 0.33 -0.92 0.46 0.00 -0.61 0.00 0.00 39.78 39.04 2vtx n ASN 27 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2vtx h LYS 28 N 5.69 0.00 -5.89 3.52 1.57 -1.63 -2.19 116.57 117.64 2vtx h LYS 28 Ca 0.16 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.25 2vtx h LYS 28 Cb 0.78 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.79 2vtx h LYS 28 CO 0.80 0.29 -0.86 0.99 -0.57 0.00 0.00 179.45 180.10 2vtx s THR 29 N -4.17 2.30 -0.13 -0.16 2.01 -1.26 -1.62 115.64 112.61 2vtx s THR 29 Ca -0.03 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 2vtx s THR 29 Cb 0.14 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.81 2vtx s THR 29 CO 0.68 0.57 -0.06 0.12 -0.69 0.00 0.00 174.62 175.24 2vtx s PHE 30 N -0.11 1.47 -0.29 4.92 5.36 0.15 -4.99 117.98 124.48 2vtx s PHE 30 Ca -0.04 -0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 55.00 2vtx s PHE 30 Cb -0.14 -1.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.29 2vtx s PHE 30 CO 0.04 -0.53 0.27 -2.00 -1.46 0.00 0.00 175.22 171.54 2vtx s GLU 31 N 1.71 3.85 -0.19 10.12 2.12 -1.26 -1.08 118.70 133.97 2vtx s GLU 31 Ca 0.04 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 54.94 2vtx s GLU 31 Cb -0.13 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2vtx s GLU 31 CO -0.08 -0.29 0.30 0.12 -0.54 0.00 0.00 175.26 174.78 2vtx s PHE 32 N 1.87 3.41 -0.03 5.30 5.36 0.25 -4.95 117.98 129.19 2vtx s PHE 32 Ca 0.09 0.54 0.04 0.00 -0.96 0.00 0.00 56.93 56.64 2vtx s PHE 32 Cb -0.16 -2.39 -0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2vtx s PHE 32 CO 0.11 0.13 -0.14 0.15 -1.46 0.00 0.00 175.22 174.01 2vtx s LYS 33 N 0.85 1.35 0.00 10.12 1.02 -1.26 -1.97 119.74 129.85 2vtx s LYS 33 Ca 0.16 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2vtx s LYS 33 Cb -0.14 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2vtx s LYS 33 CO 0.05 0.22 0.00 1.55 -0.92 0.00 0.00 175.35 176.26 2vtx n VAL 34 N 3.06 0.00 -0.31 3.17 3.14 -1.26 -5.08 118.33 121.05 2vtx n VAL 34 Ca -0.17 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.26 2vtx n VAL 34 Cb 0.54 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.56 2vtx n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vtx n GLU 42 N -4.51 0.00 -0.76 0.00 -0.00 -1.26 -5.19 120.64 108.92 2vtx n GLU 42 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.31 2vtx n GLU 42 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.66 2vtx n GLU 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2vtx n HIS 43 N -1.03 0.00 -1.39 -1.84 8.25 -1.26 -5.04 115.22 112.91 2vtx n HIS 43 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2vtx n HIS 43 Cb 0.00 -1.59 0.08 0.00 1.12 0.00 0.00 29.99 29.59 2vtx n HIS 43 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2vtx s GLN 44 N -1.90 2.51 -0.25 -0.41 -1.52 -1.22 -4.53 119.66 112.34 2vtx s GLN 44 Ca 0.00 1.11 -0.12 0.00 -1.95 0.00 0.00 55.36 54.40 2vtx s GLN 44 Cb 0.00 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 2vtx s GLN 44 CO 0.00 -1.44 0.24 -1.17 -0.25 0.00 0.00 175.29 172.67 2vtx s LEU 45 N -5.74 4.08 -0.26 2.90 2.96 0.15 -1.14 118.68 121.64 2vtx s LEU 45 Ca 0.60 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.59 2vtx s LEU 45 Cb -0.16 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2vtx s LEU 45 CO 0.55 -0.03 0.15 0.00 -1.32 0.00 0.00 176.35 175.70 2vtx s ALA 46 N 1.45 3.46 0.23 5.97 0.00 0.65 -0.35 121.76 133.16 2vtx s ALA 46 Ca 0.11 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 2vtx s ALA 46 Cb -0.15 -2.32 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 2vtx s ALA 46 CO 0.08 -0.40 0.82 -0.51 0.00 0.00 0.00 175.76 175.75 2vtx s LEU 47 N 1.47 4.47 -0.14 0.00 1.43 -0.41 -0.84 118.68 124.67 2vtx s LEU 47 Ca 0.07 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.80 2vtx s LEU 47 Cb -0.15 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 2vtx s LEU 47 CO 0.07 0.09 -0.16 0.54 0.23 0.00 0.00 176.35 177.12 2vtx n ARG 48 N 1.09 0.31 -3.86 1.70 5.12 0.13 -4.64 116.66 116.52 2vtx n ARG 48 Ca -0.02 0.11 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 2vtx n ARG 48 Cb 0.49 -1.11 -0.07 0.00 -1.16 0.00 0.00 32.46 30.61 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 -2.26 0.11 -0.00 0.55 -4.23 -1.22 -0.99 115.64 107.60 2vtx s THR 49 Ca -0.19 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2vtx s THR 49 Cb 0.06 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 2vtx s THR 49 CO 0.27 -0.51 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.03 2vtx s VAL 50 N -3.88 0.97 0.02 2.29 1.01 -0.31 -0.87 120.40 119.62 2vtx s VAL 50 Ca 0.08 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2vtx s VAL 50 Cb 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.66 2vtx s VAL 50 CO -0.08 0.22 0.61 0.00 0.00 0.00 0.00 175.10 175.85 2vtx s LEU 52 N -1.72 4.10 0.63 0.00 1.43 -0.79 0.13 118.68 122.47 2vtx s LEU 52 Ca -0.07 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 2vtx s LEU 52 Cb -0.01 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 2vtx s LEU 52 CO 0.02 -0.15 1.00 -0.83 0.23 0.00 0.00 176.35 176.62 2vtx s GLY 53 N -3.09 1.62 0.29 -3.19 0.00 -0.72 -4.92 107.32 97.31 2vtx s GLY 53 Ca 0.43 -0.38 0.26 0.00 0.00 0.00 0.00 44.72 45.02 2vtx s GLY 53 CO 0.29 -0.08 1.75 1.29 0.00 0.00 0.00 173.10 176.35 2vtx h ASP 54 N -0.36 0.00 -0.56 1.64 2.03 -1.98 -2.15 116.42 115.04 2vtx h ASP 54 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2vtx h ASP 54 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2vtx h ASP 54 CO 0.62 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.12 2vtx n LYS 55 N -2.48 2.64 -1.62 4.15 4.76 -1.26 -5.01 118.16 119.34 2vtx n LYS 55 Ca 0.04 -2.42 -0.38 0.00 -2.87 0.00 0.00 58.31 52.69 2vtx n LYS 55 Cb 0.39 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.36 0.19 -1.51 7.82 0.00 -0.81 -4.84 120.51 122.72 2vtx n ALA 56 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 2vtx n ALA 56 Cb 0.57 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.77 2.50 -1.19 0.00 1.02 -1.26 -4.88 119.74 113.16 2vtx s LYS 57 Ca 0.76 0.86 -0.13 0.00 0.02 0.00 0.00 55.97 57.49 2vtx s LYS 57 Cb -0.42 -1.95 0.20 0.00 -0.52 0.00 0.00 37.83 35.14 2vtx s LYS 57 CO 0.47 -1.39 1.36 0.34 -0.92 0.00 0.00 175.35 175.21 2vtx s ASP 58 N -3.77 7.14 0.25 2.83 3.68 -1.26 -4.59 116.67 120.95 2vtx s ASP 58 Ca 0.60 -3.15 -0.13 0.00 2.13 0.00 0.00 52.55 52.00 2vtx s ASP 58 Cb -0.15 -2.36 -0.00 0.00 -1.45 0.00 0.00 42.92 38.96 2vtx s ASP 58 CO 0.55 -0.63 0.48 -1.83 0.13 0.00 0.00 175.17 173.86 2vtx s GLU 59 N 0.90 1.55 0.19 4.34 -1.05 -1.26 -4.95 118.70 118.42 2vtx s GLU 59 Ca 0.40 -1.27 -0.30 0.00 -0.15 0.00 0.00 54.97 53.65 2vtx s GLU 59 Cb -0.04 0.47 -0.08 0.00 -0.44 0.00 0.00 34.13 34.04 2vtx s GLU 59 CO -0.02 -0.65 1.04 -0.06 0.95 0.00 0.00 175.26 176.53 2vtx s PHE 60 N -3.99 3.72 -0.08 4.83 0.40 -1.26 -4.42 117.98 117.17 2vtx s PHE 60 Ca 0.23 1.72 0.02 0.00 -0.60 0.00 0.00 56.93 58.30 2vtx s PHE 60 Cb -0.01 -3.17 -0.02 0.00 0.51 0.00 0.00 43.02 40.33 2vtx s PHE 60 CO 0.09 -0.21 -0.14 -1.01 0.70 0.00 0.00 175.22 174.65 2vtx s HIS 61 N -0.52 2.75 -0.02 0.36 3.76 0.90 -3.79 115.29 118.74 2vtx s HIS 61 Ca 0.46 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 2vtx s HIS 61 Cb -0.28 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 2vtx s HIS 61 CO 0.34 0.02 -0.13 0.42 -0.85 0.00 0.00 174.74 174.54 2vtx s ILE 62 N -0.28 1.08 0.02 0.60 1.01 0.37 -1.88 121.20 122.12 2vtx s ILE 62 Ca 0.02 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.19 2vtx s ILE 62 Cb -0.13 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2vtx s ILE 62 CO 0.03 0.31 -0.25 0.54 0.00 0.00 0.00 174.94 175.57 2vtx s VAL 63 N -0.16 1.97 0.03 2.92 0.11 -0.48 -1.85 120.40 122.95 2vtx s VAL 63 Ca 0.02 -1.22 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 2vtx s VAL 63 Cb -0.07 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 2vtx s VAL 63 CO 0.00 0.41 -0.06 -1.83 -3.33 0.00 0.00 175.10 170.29 2vtx s GLU 64 N -0.97 0.45 -0.17 1.54 -1.05 -0.40 -0.72 118.70 117.39 2vtx s GLU 64 Ca 0.10 -0.72 -0.17 0.00 -0.15 0.00 0.00 54.97 54.04 2vtx s GLU 64 Cb -0.10 -0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.42 2vtx s GLU 64 CO 0.01 0.01 0.42 0.42 0.95 0.00 0.00 175.26 177.07 2vtx s ILE 65 N -1.47 5.20 -0.16 1.83 1.01 -0.43 -0.98 121.20 126.20 2vtx s ILE 65 Ca -0.12 0.79 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 2vtx s ILE 65 Cb -0.10 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2vtx s ILE 65 CO -0.00 0.29 0.00 -0.69 0.00 0.00 0.00 174.94 174.54 2vtx s VAL 66 N 0.99 4.28 0.00 2.92 1.01 -0.15 -1.03 120.40 128.43 2vtx s VAL 66 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2vtx s VAL 66 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2vtx s VAL 66 CO 0.08 0.49 0.73 -0.90 0.00 0.00 0.00 175.10 175.50 2vtx n ASP 67 N 3.45 0.00 -4.42 3.32 5.68 -1.26 -3.69 116.55 119.62 2vtx n ASP 67 Ca -0.17 -1.52 -0.44 0.00 -0.50 0.00 0.00 54.79 52.15 2vtx n ASP 67 Cb 0.52 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 2vtx n ASP 67 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2vtx s GLU 73 N 0.00 3.05 -0.08 0.11 2.12 -1.26 -4.75 118.70 117.89 2vtx s GLU 73 Ca 0.00 -1.11 0.02 0.00 0.36 0.00 0.00 54.97 54.24 2vtx s GLU 73 Cb 0.00 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.29 2vtx s GLU 73 CO 0.00 -1.10 -0.15 -1.59 -0.54 0.00 0.00 175.26 171.88 2vtx s LYS 74 N 2.11 2.05 -0.24 4.30 -2.85 -1.26 -5.13 119.74 118.72 2vtx s LYS 74 Ca 0.09 -0.52 -0.09 0.00 -1.00 0.00 0.00 55.97 54.46 2vtx s LYS 74 Cb -0.22 -1.68 -0.04 0.00 -2.06 0.00 0.00 37.83 33.84 2vtx s LYS 74 CO 0.09 0.02 0.11 -1.12 0.10 0.00 0.00 175.35 174.55 2vtx s SER 75 N 0.72 5.55 -0.33 0.03 0.01 -1.26 -4.37 113.70 114.06 2vtx s SER 75 Ca -0.13 -0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 2vtx s SER 75 Cb -0.16 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.13 2vtx s SER 75 CO 0.03 0.02 0.06 -0.69 0.41 0.00 0.00 173.24 173.07 2vtx s VAL 76 N 1.33 3.22 0.32 3.43 1.01 -0.20 -4.98 120.40 124.53 2vtx s VAL 76 Ca 0.06 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 2vtx s VAL 76 Cb -0.15 -2.92 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 2vtx s VAL 76 CO 0.05 -0.24 1.55 -2.84 0.00 0.00 0.00 175.10 173.63 2vtx s PRO 77 N 1.26 4.13 0.00 2.72 0.02 -1.26 -1.32 135.00 140.55 2vtx s PRO 77 Ca -0.02 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2vtx s PRO 77 Cb -0.20 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2vtx s PRO 77 CO -0.01 -0.59 0.00 0.44 -0.33 0.00 0.00 177.00 176.51 2vtx n ILE 78 N 1.67 0.00 -3.68 2.83 -5.35 0.10 -4.92 119.36 110.00 2vtx n ILE 78 Ca 0.06 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 2vtx n ILE 78 Cb 0.38 0.59 -0.09 0.00 -1.74 0.00 0.00 39.64 38.79 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 -1.49 -1.32 -0.06 -1.28 0.00 -1.17 -5.02 121.76 111.42 2vtx s ALA 79 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.41 2vtx s ALA 79 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2vtx s ALA 79 CO 0.00 -0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 2vtx s THR 80 N 0.06 1.50 0.06 0.00 2.01 -1.26 -1.38 115.64 116.63 2vtx s THR 80 Ca -0.02 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2vtx s THR 80 Cb -0.04 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2vtx s THR 80 CO 0.02 0.43 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.57 2vtx s LEU 81 N 0.20 2.42 -0.21 4.42 1.43 -0.79 -4.95 118.68 121.20 2vtx s LEU 81 Ca -0.08 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.02 2vtx s LEU 81 Cb -0.14 0.05 0.06 0.00 0.03 0.00 0.00 46.19 46.20 2vtx s LEU 81 CO 0.04 -0.45 0.53 -0.75 0.23 0.00 0.00 176.35 175.95 2vtx s LYS 82 N -3.12 0.57 0.30 1.70 2.20 0.14 -0.07 119.74 121.47 2vtx s LYS 82 Ca 0.02 0.89 0.06 0.00 -0.36 0.00 0.00 55.97 56.58 2vtx s LYS 82 Cb 0.01 0.15 0.76 0.00 -1.51 0.00 0.00 37.83 37.24 2vtx s LYS 82 CO -0.05 -0.12 1.76 -1.35 -0.36 0.00 0.00 175.35 175.22 2vtx h PRO 83 N 6.38 0.69 -0.23 4.03 0.11 -1.79 0.24 132.00 141.42 2vtx h PRO 83 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2vtx h PRO 83 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2vtx h PRO 83 CO 0.21 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 2vtx n SER 84 N -4.81 2.42 0.02 -2.05 3.41 -1.26 -4.29 113.62 107.06 2vtx n SER 84 Ca 0.24 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 2vtx n SER 84 Cb 0.60 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.83 0.29 -3.17 -1.33 2.08 -0.23 -5.04 119.36 112.79 2vtx n ILE 85 Ca 0.17 0.10 0.03 0.00 0.56 0.00 0.00 62.75 63.61 2vtx n ILE 85 Cb 0.45 -1.36 -0.00 0.00 -0.75 0.00 0.00 39.64 37.98 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 -6.17 -1.57 0.00 1.39 2.96 0.68 -4.94 118.68 111.03 2vtx s LEU 86 Ca 0.00 -0.25 0.29 0.00 -0.22 0.00 0.00 54.13 53.95 2vtx s LEU 86 Cb 0.00 1.99 1.21 0.00 0.50 0.00 0.00 46.19 49.89 2vtx s LEU 86 CO 0.00 -0.24 1.84 -0.81 -1.32 0.00 0.00 176.35 175.82 2vtx n PRO 87 N 4.95 1.09 -3.86 0.98 -0.04 -1.22 -0.68 135.00 136.21 2vtx n PRO 87 Ca 0.08 -0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 62.99 2vtx n PRO 87 Cb 0.55 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.24 1.81 -0.05 0.54 0.23 -1.26 -1.89 119.30 116.45 2vtx s MET 88 Ca 0.34 -1.04 -0.20 0.00 -1.03 0.00 0.00 55.69 53.77 2vtx s MET 88 Cb 0.21 0.60 0.04 0.00 -1.53 0.00 0.00 34.83 34.15 2vtx s MET 88 CO 0.42 -0.83 0.44 0.00 -2.03 0.00 0.00 175.02 173.02 2vtx s ALA 89 N -3.80 -1.13 -0.14 3.16 0.00 -0.49 -4.98 121.76 114.39 2vtx s ALA 89 Ca 0.12 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 2vtx s ALA 89 Cb -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2vtx s ALA 89 CO 0.07 -0.29 0.34 0.99 0.00 0.00 0.00 175.76 176.87 2vtx s THR 90 N -1.08 5.27 -0.15 0.00 2.01 -1.26 -1.17 115.64 119.26 2vtx s THR 90 Ca -0.11 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 2vtx s THR 90 Cb -0.03 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2vtx s THR 90 CO 0.05 0.40 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.30 2vtx s MET 91 N 0.33 3.61 -0.07 4.92 -1.94 -0.16 -4.96 119.30 121.03 2vtx s MET 91 Ca 0.19 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 2vtx s MET 91 Cb -0.14 -2.89 0.01 0.00 2.01 0.00 0.00 34.83 33.83 2vtx s MET 91 CO 0.06 0.28 -0.11 0.08 -0.01 0.00 0.00 175.02 175.31 2vtx s VAL 92 N 0.27 1.08 0.00 -6.03 1.01 -1.26 -4.49 120.40 110.98 2vtx s VAL 92 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2vtx s VAL 92 Cb -0.14 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2vtx s VAL 92 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2vtx n GLY 93 N 3.92 2.98 3.56 4.51 0.00 -1.26 -4.96 105.19 113.94 2vtx n GLY 93 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.53 3.48 -0.19 -0.61 1.01 -1.26 -4.96 121.20 116.14 2vtx s ILE 94 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 2vtx s ILE 94 Cb 0.00 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2vtx s ILE 94 CO 0.00 -0.91 -0.08 -1.61 0.00 0.00 0.00 174.94 172.33 2vtx s GLU 95 N 6.42 3.34 0.20 2.79 2.02 -1.26 -1.29 118.70 130.92 2vtx s GLU 95 Ca 0.65 -0.66 0.11 0.00 0.02 0.00 0.00 54.97 55.09 2vtx s GLU 95 Cb -0.14 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2vtx s GLU 95 CO 0.24 -0.08 -0.24 -0.51 0.02 0.00 0.00 175.26 174.68 2vtx s LEU 96 N 1.14 2.44 -0.27 1.80 1.43 0.52 -4.92 118.68 120.82 2vtx s LEU 96 Ca 0.01 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2vtx s LEU 96 Cb -0.14 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2vtx s LEU 96 CO -0.02 0.11 0.13 -0.62 0.23 0.00 0.00 176.35 176.18 2vtx s ASP 97 N -2.71 5.51 0.74 2.29 2.15 -1.26 0.34 116.67 123.73 2vtx s ASP 97 Ca 0.21 -0.22 -0.15 0.00 0.43 0.00 0.00 52.55 52.82 2vtx s ASP 97 Cb -0.08 -2.00 0.04 0.00 -0.30 0.00 0.00 42.92 40.58 2vtx s ASP 97 CO 0.10 -0.08 1.24 -2.84 -0.17 0.00 0.00 175.17 173.42 2vtx s PRO 98 N 1.66 2.04 0.35 4.34 0.02 -1.26 -4.29 135.00 137.86 2vtx s PRO 98 Ca 0.06 1.86 -0.25 0.00 0.02 0.00 0.00 61.00 62.69 2vtx s PRO 98 Cb -0.16 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 2vtx s PRO 98 CO 0.07 -1.94 0.97 -1.25 -0.33 0.00 0.00 177.00 174.52 2vtx s PRO 99 N -3.84 4.46 0.07 5.54 0.04 -1.26 -4.99 135.00 135.02 2vtx s PRO 99 Ca 0.77 1.37 0.10 0.00 0.04 0.00 0.00 61.00 63.27 2vtx s PRO 99 Cb -0.32 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2vtx s PRO 99 CO 0.46 0.16 -0.27 0.08 0.04 0.00 0.00 177.00 177.47 2vtx s VAL 100 N -1.66 2.17 -0.13 -0.36 1.01 -0.83 -4.95 120.40 115.65 2vtx s VAL 100 Ca 0.53 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2vtx s VAL 100 Cb -0.19 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2vtx s VAL 100 CO 0.24 0.29 -0.15 -0.89 0.00 0.00 0.00 175.10 174.59 2vtx s THR 101 N -0.88 2.83 -0.14 3.92 2.01 -1.24 0.86 115.64 123.00 2vtx s THR 101 Ca 0.12 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 2vtx s THR 101 Cb -0.10 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2vtx s THR 101 CO 0.03 0.53 0.06 -0.36 -0.69 0.00 0.00 174.62 174.19 2vtx s PHE 102 N 0.42 3.31 0.03 4.92 0.40 -0.25 -0.98 117.98 125.85 2vtx s PHE 102 Ca -0.11 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2vtx s PHE 102 Cb -0.16 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 2vtx s PHE 102 CO 0.05 0.40 -0.10 0.50 0.70 0.00 0.00 175.22 176.77 2vtx s ARG 103 N -0.37 0.71 -1.20 0.44 3.52 -0.15 -0.67 118.95 121.23 2vtx s ARG 103 Ca 0.09 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 2vtx s ARG 103 Cb -0.12 -0.64 0.11 0.00 -1.56 0.00 0.00 34.95 32.74 2vtx s ARG 103 CO 0.02 0.15 1.55 -1.17 -0.81 0.00 0.00 175.30 175.03 2vtx s LEU 104 N -1.12 4.32 0.50 -0.88 2.96 -0.64 -1.27 118.68 122.55 2vtx s LEU 104 Ca -0.02 -2.48 0.28 0.00 -0.22 0.00 0.00 54.13 51.69 2vtx s LEU 104 Cb -0.08 -2.50 1.37 0.00 0.50 0.00 0.00 46.19 45.49 2vtx s LEU 104 CO 0.01 -1.06 1.85 0.50 -1.32 0.00 0.00 176.35 176.33 2vtx h LYS 105 N 7.81 0.12 -2.59 1.98 3.64 -1.71 -3.43 116.57 122.40 2vtx h LYS 105 Ca 0.35 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2vtx h LYS 105 Cb 0.90 -0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.47 2vtx h LYS 105 CO 1.35 0.08 -0.14 0.00 -2.27 0.00 0.00 179.45 178.47 2vtx s ALA 106 N -5.12 -1.18 0.00 5.00 0.00 -1.19 -4.91 121.76 114.36 2vtx s ALA 106 Ca -0.06 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2vtx s ALA 106 Cb 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2vtx s ALA 106 CO 0.79 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2vtx n GLY 107 N 2.43 1.86 0.13 0.00 0.00 -1.25 -0.47 105.19 107.89 2vtx n GLY 107 Ca -0.15 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.88 2vtx n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vtx n SER 108 N 0.00 0.97 -0.09 1.61 7.64 -1.26 -4.73 113.62 117.76 2vtx n SER 108 Ca 0.00 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2vtx n SER 108 Cb 0.00 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2vtx n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vtx n GLY 109 N 1.19 -1.97 3.77 0.23 0.00 -1.26 -2.04 105.19 105.12 2vtx n GLY 109 Ca 0.04 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 4.12 -0.09 1.61 0.02 -1.26 -4.17 135.00 135.23 2vtx s PRO 110 Ca 0.00 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.63 2vtx s PRO 110 Cb 0.00 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.54 2vtx s PRO 110 CO 0.00 -0.54 -0.23 -1.17 -0.33 0.00 0.00 177.00 174.73 2vtx s LEU 111 N -1.81 2.04 -0.06 -5.54 0.20 -0.07 -1.76 118.68 111.68 2vtx s LEU 111 Ca 0.54 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.86 2vtx s LEU 111 Cb -0.47 -1.34 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 2vtx s LEU 111 CO 0.60 0.16 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.44 2vtx s TYR 112 N 0.27 2.89 -0.01 5.38 1.51 0.12 -0.28 117.35 127.23 2vtx s TYR 112 Ca -0.15 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 2vtx s TYR 112 Cb -0.17 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 2vtx s TYR 112 CO 0.07 0.31 -0.24 0.42 -1.11 0.00 0.00 175.55 175.00 2vtx s ILE 113 N -0.80 2.22 0.16 2.71 1.01 -0.68 -0.94 121.20 124.87 2vtx s ILE 113 Ca 0.12 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.75 2vtx s ILE 113 Cb -0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2vtx s ILE 113 CO 0.01 0.54 -0.18 -0.94 0.00 0.00 0.00 174.94 174.38 2vtx s SER 114 N -0.74 2.61 0.33 3.58 1.04 -0.05 -1.93 113.70 118.53 2vtx s SER 114 Ca 0.11 -0.85 -0.18 0.00 0.48 0.00 0.00 55.95 55.51 2vtx s SER 114 Cb -0.10 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.93 2vtx s SER 114 CO -0.00 -0.04 0.84 -0.83 0.98 0.00 0.00 173.24 174.19 2vtx s GLY 115 N -2.60 0.26 0.02 7.32 0.00 0.61 -0.69 107.32 112.24 2vtx s GLY 115 Ca 0.15 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.29 2vtx s GLY 115 CO 0.06 0.30 -0.08 1.20 0.00 0.00 0.00 173.10 174.58 2vtx s GLN 116 N -2.44 0.58 -0.10 2.90 -0.21 -0.02 0.40 119.66 120.77 2vtx s GLN 116 Ca 0.16 -0.48 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 2vtx s GLN 116 Cb -0.05 -0.50 -0.04 0.00 1.00 0.00 0.00 33.01 33.43 2vtx s GLN 116 CO 0.09 0.12 1.44 -1.01 -2.12 0.00 0.00 175.29 173.82 2vtx s HIS 117 N -0.65 2.47 0.00 0.91 3.76 -1.25 -0.26 115.29 120.27 2vtx s HIS 117 Ca -0.02 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2vtx s HIS 117 Cb -0.06 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.94 2vtx s HIS 117 CO 0.00 -2.69 0.00 1.33 -0.85 0.00 0.00 174.74 172.53