#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 0.00 -4.69 0.64 -0.00 -1.25 -4.92 117.00 106.79 2vtx n LEU 17 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2vtx n LEU 17 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2vtx n LEU 17 CO 0.00 0.00 0.85 -0.51 -0.00 0.00 0.00 177.39 177.73 2vtx s ILE 18 N -2.90 4.62 0.21 1.47 1.10 -1.26 -2.73 121.20 121.70 2vtx s ILE 18 Ca 0.00 1.90 0.09 0.00 -0.51 0.00 0.00 60.65 62.14 2vtx s ILE 18 Cb 0.00 -4.22 -0.04 0.00 0.15 0.00 0.00 42.46 38.34 2vtx s ILE 18 CO 0.00 -0.01 -0.07 0.86 -2.11 0.00 0.00 174.94 173.61 2vtx s TRP 19 N 2.14 2.65 -0.08 3.50 -0.00 0.47 -4.98 118.94 122.63 2vtx s TRP 19 Ca 0.50 -0.22 -0.30 0.00 -0.00 0.00 0.00 56.10 56.08 2vtx s TRP 19 Cb -0.20 -1.26 0.09 0.00 -0.00 0.00 0.00 33.47 32.11 2vtx s TRP 19 CO 0.18 0.55 0.80 0.20 -0.00 0.00 0.00 176.95 178.68 2vtx s GLY 20 N -3.07 -0.47 0.06 5.86 0.00 -1.26 -0.80 107.32 107.63 2vtx s GLY 20 Ca 0.27 1.54 -0.03 0.00 0.00 0.00 0.00 44.72 46.50 2vtx s GLY 20 CO 0.17 0.95 0.04 0.00 0.00 0.00 0.00 173.10 174.25 2vtx s GLU 22 N -3.73 3.79 0.10 0.00 2.12 -1.26 -1.12 118.70 118.60 2vtx s GLU 22 Ca 0.05 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2vtx s GLU 22 Cb 0.06 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2vtx s GLU 22 CO -0.10 0.24 0.09 -0.51 -0.54 0.00 0.00 175.26 174.45 2vtx s LEU 23 N 0.40 3.80 0.35 2.70 1.43 0.08 -4.93 118.68 122.51 2vtx s LEU 23 Ca -0.01 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 2vtx s LEU 23 Cb -0.14 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2vtx s LEU 23 CO 0.02 0.15 0.84 0.54 0.23 0.00 0.00 176.35 178.12 2vtx s ASN 24 N -2.57 0.02 0.22 2.29 2.20 0.15 -1.25 114.94 115.99 2vtx s ASN 24 Ca 0.30 -1.09 -0.13 0.00 -0.94 0.00 0.00 52.86 51.00 2vtx s ASN 24 Cb -0.12 0.79 0.26 0.00 -2.00 0.00 0.00 41.25 40.19 2vtx s ASN 24 CO 0.22 -1.58 1.61 -0.08 -2.94 0.00 0.00 177.10 174.33 2vtx h GLU 25 N 2.00 -0.02 0.01 3.55 4.81 -1.19 -0.39 114.58 123.35 2vtx h GLU 25 Ca -0.32 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.67 2vtx h GLU 25 Cb 1.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.64 2vtx h GLU 25 CO 0.41 -0.01 -1.00 1.96 -0.73 0.00 0.00 179.01 179.63 2vtx h GLN 26 N -0.02 0.50 -2.71 1.92 1.08 -1.96 -3.38 115.11 110.53 2vtx h GLN 26 Ca 0.33 -0.56 -0.61 0.00 -1.45 0.00 0.00 58.65 56.36 2vtx h GLN 26 Cb 0.52 0.16 -0.41 0.00 -0.05 0.00 0.00 27.48 27.71 2vtx h GLN 26 CO -0.73 1.19 -0.71 0.09 -0.95 0.00 0.00 178.83 177.73 2vtx n ASN 27 N -3.77 2.06 0.25 1.46 3.02 -0.30 -4.93 115.26 113.06 2vtx n ASN 27 Ca -0.08 -3.00 0.14 0.00 -0.03 0.00 0.00 54.58 51.60 2vtx n ASN 27 Cb 0.87 -0.69 0.62 0.00 -0.61 0.00 0.00 39.78 39.96 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 5.20 0.00 -5.06 3.52 6.56 -1.38 0.45 116.57 125.86 2vtx h LYS 28 Ca 0.18 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.19 2vtx h LYS 28 Cb 0.79 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.12 2vtx h LYS 28 CO 0.63 0.11 -0.84 0.99 -2.06 0.00 0.00 179.45 178.28 2vtx s THR 29 N -3.75 1.53 -0.11 -0.16 2.01 -1.26 -1.38 115.64 112.52 2vtx s THR 29 Ca 0.00 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2vtx s THR 29 Cb 0.10 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.30 2vtx s THR 29 CO 0.58 0.44 -0.06 0.12 -0.69 0.00 0.00 174.62 175.01 2vtx s PHE 30 N 0.36 1.37 -0.11 4.92 5.36 -0.44 -4.99 117.98 124.45 2vtx s PHE 30 Ca -0.12 -0.69 -0.17 0.00 -0.96 0.00 0.00 56.93 54.99 2vtx s PHE 30 Cb -0.15 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.31 2vtx s PHE 30 CO 0.05 -0.50 0.42 -2.00 -1.46 0.00 0.00 175.22 171.73 2vtx s GLU 31 N 1.75 4.27 -0.38 10.12 2.12 -1.26 -1.63 118.70 133.68 2vtx s GLU 31 Ca 0.05 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 2vtx s GLU 31 Cb -0.13 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.89 2vtx s GLU 31 CO -0.08 0.25 0.22 0.12 -0.54 0.00 0.00 175.26 175.23 2vtx s PHE 32 N 0.37 3.25 0.17 5.30 5.36 -0.41 -5.01 117.98 127.01 2vtx s PHE 32 Ca 0.23 -0.96 0.05 0.00 -0.96 0.00 0.00 56.93 55.29 2vtx s PHE 32 Cb -0.15 -2.48 -0.05 0.00 -0.34 0.00 0.00 43.02 40.01 2vtx s PHE 32 CO 0.09 -0.66 -0.08 -1.59 -1.46 0.00 0.00 175.22 171.52 2vtx s LYS 33 N 1.56 1.15 0.00 10.12 -2.85 -1.26 -2.32 119.74 126.14 2vtx s LYS 33 Ca 0.02 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.47 2vtx s LYS 33 Cb -0.19 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.91 2vtx s LYS 33 CO 0.07 0.04 0.00 1.33 0.10 0.00 0.00 175.35 176.89 2vtx n VAL 34 N -0.27 0.00 0.00 1.79 0.24 -1.26 -5.11 118.33 113.72 2vtx n VAL 34 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2vtx n VAL 34 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 2.26 0.00 7.34 4.07 -1.26 -5.16 120.64 127.89 2vtx n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2vtx n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2vtx n GLU 42 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2vtx n HIS 43 N -0.80 0.00 -4.51 4.31 -0.00 -1.26 -5.14 115.22 107.82 2vtx n HIS 43 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2vtx n HIS 43 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 2vtx n HIS 43 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2vtx s GLN 44 N -0.08 2.21 -0.29 -0.41 -0.21 -1.26 -4.29 119.66 115.32 2vtx s GLN 44 Ca 0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 55.36 54.37 2vtx s GLN 44 Cb 0.00 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.70 2vtx s GLN 44 CO 0.00 0.55 0.12 -1.17 -2.12 0.00 0.00 175.29 172.67 2vtx s LEU 45 N -1.60 3.86 -0.36 2.90 2.96 0.15 -0.24 118.68 126.35 2vtx s LEU 45 Ca 0.17 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.45 2vtx s LEU 45 Cb -0.11 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 2vtx s LEU 45 CO 0.08 -0.14 0.54 0.00 -1.32 0.00 0.00 176.35 175.50 2vtx s ALA 46 N 1.60 3.46 0.58 5.97 0.00 -0.50 0.18 121.76 133.05 2vtx s ALA 46 Ca 0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2vtx s ALA 46 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2vtx s ALA 46 CO 0.05 -1.28 1.08 -0.51 0.00 0.00 0.00 175.76 175.10 2vtx s LEU 47 N 2.46 3.59 0.11 0.00 1.43 -0.77 -1.22 118.68 124.28 2vtx s LEU 47 Ca 0.20 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2vtx s LEU 47 Cb -0.15 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2vtx s LEU 47 CO 0.14 -1.23 0.00 0.54 0.23 0.00 0.00 176.35 176.02 2vtx n ARG 48 N -1.78 0.00 -4.06 1.70 5.12 -0.64 -4.65 116.66 112.35 2vtx n ARG 48 Ca 0.10 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.93 2vtx n ARG 48 Cb 0.52 -0.41 -0.09 0.00 -1.16 0.00 0.00 32.46 31.32 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 -2.00 0.15 -0.03 0.55 -4.23 -1.25 0.57 115.64 109.40 2vtx s THR 49 Ca 0.00 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 2vtx s THR 49 Cb 0.00 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2vtx s THR 49 CO 0.00 -0.67 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.60 2vtx s VAL 50 N -3.96 1.00 0.10 2.29 1.01 -0.74 -1.74 120.40 118.36 2vtx s VAL 50 Ca 0.14 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2vtx s VAL 50 Cb 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2vtx s VAL 50 CO -0.05 0.30 0.36 0.00 0.00 0.00 0.00 175.10 175.72 2vtx s LEU 52 N -2.61 4.32 0.60 0.00 1.43 -0.66 -0.51 118.68 121.25 2vtx s LEU 52 Ca 0.01 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.30 2vtx s LEU 52 Cb 0.02 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2vtx s LEU 52 CO -0.09 0.29 1.05 -0.83 0.23 0.00 0.00 176.35 176.99 2vtx s GLY 53 N -1.78 2.06 0.41 -3.19 0.00 -0.31 -4.94 107.32 99.57 2vtx s GLY 53 Ca 0.25 0.33 0.29 0.00 0.00 0.00 0.00 44.72 45.59 2vtx s GLY 53 CO 0.16 0.64 1.84 1.29 0.00 0.00 0.00 173.10 177.04 2vtx h ASP 54 N 0.33 0.00 -0.56 1.64 2.03 -1.99 -1.88 116.42 115.99 2vtx h ASP 54 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2vtx h ASP 54 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2vtx h ASP 54 CO 0.58 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.08 2vtx n LYS 55 N -2.70 3.96 -1.87 4.15 4.76 -1.26 -5.00 118.16 120.19 2vtx n LYS 55 Ca 0.02 -2.93 -0.39 0.00 -2.87 0.00 0.00 58.31 52.14 2vtx n LYS 55 Cb 0.29 -1.97 0.03 0.00 -1.84 0.00 0.00 35.03 31.54 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 -2.23 2.97 0.77 7.82 0.00 -0.71 -4.83 121.76 125.55 2vtx s ALA 56 Ca 0.50 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.63 2vtx s ALA 56 Cb 0.35 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.99 2vtx s ALA 56 CO 0.19 -1.19 1.12 0.15 0.00 0.00 0.00 175.76 176.03 2vtx s LYS 57 N -2.73 2.11 -1.25 0.00 1.02 -1.26 -4.91 119.74 112.73 2vtx s LYS 57 Ca 0.67 1.39 -0.12 0.00 0.02 0.00 0.00 55.97 57.93 2vtx s LYS 57 Cb -0.39 -1.86 0.16 0.00 -0.52 0.00 0.00 37.83 35.22 2vtx s LYS 57 CO 0.48 -1.78 1.64 -3.47 -0.92 0.00 0.00 175.35 171.29 2vtx n ASP 58 N -3.28 5.14 -3.96 2.83 4.64 -1.26 -4.52 116.55 116.14 2vtx n ASP 58 Ca 0.11 -3.03 -0.10 0.00 -1.38 0.00 0.00 54.79 50.39 2vtx n ASP 58 Cb 0.52 -1.54 -0.07 0.00 -1.04 0.00 0.00 41.12 38.99 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 1.18 1.19 -0.01 -0.67 -1.05 -1.26 -4.96 118.70 113.12 2vtx s GLU 59 Ca 0.42 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.76 2vtx s GLU 59 Cb 0.03 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 2vtx s GLU 59 CO 0.00 -0.44 1.33 -0.06 0.95 0.00 0.00 175.26 177.04 2vtx s PHE 60 N -3.97 3.01 -0.19 4.83 0.40 -1.26 -4.33 117.98 116.46 2vtx s PHE 60 Ca 0.18 0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 57.43 2vtx s PHE 60 Cb 0.03 -3.58 -0.02 0.00 0.51 0.00 0.00 43.02 39.96 2vtx s PHE 60 CO 0.01 -2.03 -0.01 -1.01 0.70 0.00 0.00 175.22 172.88 2vtx s HIS 61 N 2.21 3.03 -0.09 0.36 3.76 0.98 -3.20 115.29 122.33 2vtx s HIS 61 Ca 0.61 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2vtx s HIS 61 Cb -0.29 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 2vtx s HIS 61 CO 0.25 -0.23 -0.22 0.42 -0.85 0.00 0.00 174.74 174.11 2vtx s ILE 62 N 0.92 2.23 -0.07 0.60 1.01 -0.80 -1.58 121.20 123.51 2vtx s ILE 62 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2vtx s ILE 62 Cb -0.14 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2vtx s ILE 62 CO 0.02 0.56 -0.16 0.54 0.00 0.00 0.00 174.94 175.89 2vtx s VAL 63 N 0.15 2.85 0.22 2.92 0.11 0.12 -1.55 120.40 125.21 2vtx s VAL 63 Ca -0.12 -0.78 0.09 0.00 -2.93 0.00 0.00 61.98 58.24 2vtx s VAL 63 Cb -0.16 -2.12 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2vtx s VAL 63 CO 0.07 0.57 -0.17 -1.83 -3.33 0.00 0.00 175.10 170.40 2vtx s GLU 64 N -0.33 1.44 -0.15 1.54 -1.05 0.53 -0.82 118.70 119.86 2vtx s GLU 64 Ca 0.03 -1.62 -0.07 0.00 -0.15 0.00 0.00 54.97 53.16 2vtx s GLU 64 Cb -0.13 -1.38 -0.04 0.00 -0.44 0.00 0.00 34.13 32.14 2vtx s GLU 64 CO 0.02 0.25 0.09 0.42 0.95 0.00 0.00 175.26 176.99 2vtx s ILE 65 N -2.65 5.03 -0.13 1.83 1.01 -0.05 -1.16 121.20 125.08 2vtx s ILE 65 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.95 2vtx s ILE 65 Cb -0.03 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2vtx s ILE 65 CO 0.09 0.54 -0.20 -0.69 0.00 0.00 0.00 174.94 174.68 2vtx s VAL 66 N -0.35 1.89 0.11 2.92 1.01 -0.72 -0.47 120.40 124.79 2vtx s VAL 66 Ca 0.10 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2vtx s VAL 66 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2vtx s VAL 66 CO 0.01 0.52 0.18 -0.62 0.00 0.00 0.00 175.10 175.20 2vtx s ASP 67 N 0.84 0.15 0.14 3.32 -1.08 -0.40 -2.16 116.67 117.49 2vtx s ASP 67 Ca -0.07 -0.80 -0.19 0.00 -0.52 0.00 0.00 52.55 50.97 2vtx s ASP 67 Cb -0.15 0.35 -0.07 0.00 -1.46 0.00 0.00 42.92 41.58 2vtx s ASP 67 CO -0.01 -0.76 0.64 -1.10 0.52 0.00 0.00 175.17 174.45 2vtx s GLN 68 N -3.91 4.23 0.00 4.34 -1.52 -1.26 0.05 119.66 121.58 2vtx s GLN 68 Ca 0.10 0.79 0.00 0.00 -1.95 0.00 0.00 55.36 54.30 2vtx s GLN 68 Cb 0.05 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 2vtx s GLN 68 CO -0.07 0.53 0.00 0.39 -0.25 0.00 0.00 175.29 175.89 2vtx n GLU 69 N 1.24 0.00 -2.18 2.91 4.71 -0.64 -4.79 120.64 121.90 2vtx n GLU 69 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.69 2vtx n GLU 69 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.91 2vtx n GLU 69 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2vtx s GLU 70 N -2.00 2.87 -1.77 3.49 -6.30 -1.26 -1.79 118.70 111.93 2vtx s GLU 70 Ca 0.00 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.96 2vtx s GLU 70 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 34.13 29.83 2vtx s GLU 70 CO 0.00 -2.46 0.00 0.41 0.02 0.00 0.00 175.26 173.23 2vtx n GLY 71 N 5.56 0.64 3.25 -1.50 0.00 -1.26 -5.04 105.19 106.84 2vtx n GLY 71 Ca 0.16 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2vtx n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vtx s ALA 72 N -2.82 1.43 -0.29 4.61 0.00 -0.74 -5.11 121.76 118.84 2vtx s ALA 72 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.24 2vtx s ALA 72 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2vtx s ALA 72 CO 0.00 -0.11 0.78 -2.00 0.00 0.00 0.00 175.76 174.42 2vtx s GLU 73 N -3.76 4.02 -0.13 0.00 2.12 -1.26 -1.62 118.70 118.07 2vtx s GLU 73 Ca 0.17 0.64 -0.14 0.00 0.36 0.00 0.00 54.97 56.00 2vtx s GLU 73 Cb 0.03 -3.70 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 2vtx s GLU 73 CO 0.00 -0.62 0.33 -1.59 -0.54 0.00 0.00 175.26 172.84 2vtx s LYS 74 N 2.88 4.16 -0.26 4.30 0.00 0.11 -4.97 119.74 125.97 2vtx s LYS 74 Ca 0.32 0.18 -0.03 0.00 0.00 0.00 0.00 55.97 56.44 2vtx s LYS 74 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 37.83 34.32 2vtx s LYS 74 CO 0.11 0.33 -0.02 -1.12 0.00 0.00 0.00 175.35 174.65 2vtx s SER 75 N 0.16 4.51 -0.29 0.03 0.01 -1.26 -1.28 113.70 115.59 2vtx s SER 75 Ca 0.19 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.71 2vtx s SER 75 Cb -0.14 -1.73 0.08 0.00 0.21 0.00 0.00 66.02 64.44 2vtx s SER 75 CO 0.06 -0.13 -0.04 -0.69 0.41 0.00 0.00 173.24 172.85 2vtx s VAL 76 N 1.39 2.19 0.19 3.43 1.01 0.38 -4.91 120.40 124.08 2vtx s VAL 76 Ca 0.02 -1.91 -0.33 0.00 0.00 0.00 0.00 61.98 59.76 2vtx s VAL 76 Cb -0.16 -2.43 -0.13 0.00 0.00 0.00 0.00 36.38 33.65 2vtx s VAL 76 CO -0.03 -0.26 1.56 -2.65 0.00 0.00 0.00 175.10 173.72 2vtx n PRO 77 N 4.37 2.22 0.00 2.72 -0.02 -1.26 -0.87 135.00 142.15 2vtx n PRO 77 Ca -0.07 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2vtx n PRO 77 Cb 0.42 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.06 0.00 -3.67 4.25 -5.35 -0.00 -4.91 119.36 112.73 2vtx n ILE 78 Ca 0.15 -0.25 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 2vtx n ILE 78 Cb 0.30 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 38.93 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 -0.88 -1.24 -0.13 -1.28 0.00 -1.09 -5.01 121.76 112.12 2vtx s ALA 79 Ca 0.00 1.66 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2vtx s ALA 79 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2vtx s ALA 79 CO 0.00 -0.52 -0.04 0.99 0.00 0.00 0.00 175.76 176.19 2vtx s THR 80 N 2.02 3.93 0.15 0.00 2.01 -1.26 0.11 115.64 122.60 2vtx s THR 80 Ca -0.06 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 2vtx s THR 80 Cb -0.10 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 2vtx s THR 80 CO -0.14 0.53 0.29 -0.76 -0.69 0.00 0.00 174.62 173.85 2vtx s LEU 81 N -0.04 0.97 -0.28 4.42 1.43 -0.61 -4.97 118.68 119.58 2vtx s LEU 81 Ca 0.01 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.15 2vtx s LEU 81 Cb -0.13 1.26 0.11 0.00 0.03 0.00 0.00 46.19 47.46 2vtx s LEU 81 CO 0.03 -0.87 0.90 -0.75 0.23 0.00 0.00 176.35 175.88 2vtx s LYS 82 N -3.93 0.54 0.37 1.70 2.20 -0.48 -0.02 119.74 120.13 2vtx s LYS 82 Ca 0.13 0.81 0.11 0.00 -0.36 0.00 0.00 55.97 56.67 2vtx s LYS 82 Cb 0.03 0.18 0.90 0.00 -1.51 0.00 0.00 37.83 37.43 2vtx s LYS 82 CO -0.03 -0.09 1.87 -1.35 -0.36 0.00 0.00 175.35 175.38 2vtx h PRO 83 N 5.64 0.58 -0.01 4.03 0.11 -1.79 0.22 132.00 140.79 2vtx h PRO 83 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2vtx h PRO 83 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2vtx h PRO 83 CO 0.15 0.39 -0.40 -1.13 -0.21 0.00 0.00 178.00 176.79 2vtx n SER 84 N -4.55 1.40 -0.05 -2.05 3.41 -1.26 -4.34 113.62 106.18 2vtx n SER 84 Ca 0.18 -1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 57.57 2vtx n SER 84 Cb 0.53 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.50 1.09 -3.21 -1.33 2.08 -0.83 -5.01 119.36 111.65 2vtx n ILE 85 Ca 0.10 0.04 -0.01 0.00 0.56 0.00 0.00 62.75 63.44 2vtx n ILE 85 Cb 0.39 -1.84 -0.02 0.00 -0.75 0.00 0.00 39.64 37.42 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 -7.14 -1.30 0.00 1.39 2.96 0.71 -4.97 118.68 110.34 2vtx s LEU 86 Ca -0.17 -0.21 0.29 0.00 -0.22 0.00 0.00 54.13 53.81 2vtx s LEU 86 Cb 0.05 1.68 1.18 0.00 0.50 0.00 0.00 46.19 49.60 2vtx s LEU 86 CO 0.24 -0.29 1.82 -0.81 -1.32 0.00 0.00 176.35 175.98 2vtx n PRO 87 N 5.19 1.15 -3.89 0.98 -0.04 -1.21 -1.39 135.00 135.80 2vtx n PRO 87 Ca 0.05 -0.53 -0.09 0.00 -0.04 0.00 0.00 63.50 62.89 2vtx n PRO 87 Cb 0.53 -1.49 -0.05 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 -2.22 1.43 -0.06 0.54 0.23 -1.26 -1.66 119.30 116.31 2vtx s MET 88 Ca 0.35 -1.09 -0.07 0.00 -1.03 0.00 0.00 55.69 53.85 2vtx s MET 88 Cb 0.21 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 34.00 2vtx s MET 88 CO 0.41 -0.59 0.18 0.00 -2.03 0.00 0.00 175.02 172.99 2vtx s ALA 89 N -3.95 -0.45 -0.05 3.16 0.00 -0.49 -4.99 121.76 114.99 2vtx s ALA 89 Ca 0.16 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 2vtx s ALA 89 Cb -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2vtx s ALA 89 CO 0.03 -0.11 0.78 0.99 0.00 0.00 0.00 175.76 177.44 2vtx s THR 90 N -0.17 5.00 -0.07 0.00 2.01 -1.26 -1.79 115.64 119.36 2vtx s THR 90 Ca -0.03 1.61 -0.16 0.00 0.31 0.00 0.00 61.69 63.42 2vtx s THR 90 Cb -0.02 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2vtx s THR 90 CO 0.01 0.22 0.42 -0.04 -0.69 0.00 0.00 174.62 174.54 2vtx s MET 91 N 0.90 4.14 -0.01 4.92 -1.94 0.19 -4.95 119.30 122.55 2vtx s MET 91 Ca 0.41 0.39 0.02 0.00 -1.71 0.00 0.00 55.69 54.80 2vtx s MET 91 Cb -0.18 -3.33 -0.00 0.00 2.01 0.00 0.00 34.83 33.32 2vtx s MET 91 CO 0.20 0.42 -0.07 0.08 -0.01 0.00 0.00 175.02 175.65 2vtx s VAL 92 N -0.20 0.56 0.00 -6.03 1.01 -1.26 -4.46 120.40 110.02 2vtx s VAL 92 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2vtx s VAL 92 Cb -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2vtx s VAL 92 CO 0.11 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2vtx n GLY 93 N 3.11 0.00 3.61 4.51 0.00 -1.26 -4.95 105.19 110.21 2vtx n GLY 93 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.87 4.52 -0.09 -0.61 1.01 -1.26 -5.00 121.20 118.91 2vtx s ILE 94 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 60.65 61.96 2vtx s ILE 94 Cb 0.00 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.10 2vtx s ILE 94 CO 0.00 -0.59 -0.14 -1.61 0.00 0.00 0.00 174.94 172.59 2vtx s GLU 95 N 3.63 2.03 0.07 2.79 2.02 -1.26 -1.85 118.70 126.14 2vtx s GLU 95 Ca 0.41 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.93 2vtx s GLU 95 Cb -0.11 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 2vtx s GLU 95 CO 0.20 0.00 -0.11 -0.51 0.02 0.00 0.00 175.26 174.86 2vtx s LEU 96 N 0.78 2.31 -0.25 1.80 1.43 0.13 -4.91 118.68 119.97 2vtx s LEU 96 Ca -0.12 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 2vtx s LEU 96 Cb -0.16 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2vtx s LEU 96 CO 0.02 -0.16 0.33 -1.81 0.23 0.00 0.00 176.35 174.96 2vtx s ASP 97 N -1.92 6.24 0.23 2.29 1.01 -1.26 0.30 116.67 123.56 2vtx s ASP 97 Ca -0.01 0.27 -0.31 0.00 0.71 0.00 0.00 52.55 53.21 2vtx s ASP 97 Cb -0.08 -2.19 -0.14 0.00 1.01 0.00 0.00 42.92 41.52 2vtx s ASP 97 CO 0.01 -0.11 1.25 -2.65 0.21 0.00 0.00 175.17 173.88 2vtx n PRO 98 N 5.00 1.63 -3.47 8.23 -0.02 -1.26 -3.98 135.00 141.13 2vtx n PRO 98 Ca -0.10 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.61 2vtx n PRO 98 Cb 0.51 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.70 3.86 0.01 0.52 0.04 -1.26 -5.01 135.00 132.45 2vtx s PRO 99 Ca 0.67 0.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 2vtx s PRO 99 Cb -0.72 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 2vtx s PRO 99 CO 0.53 0.50 0.02 0.14 0.04 0.00 0.00 177.00 178.24 2vtx s VAL 100 N -1.46 0.08 0.02 -0.36 -7.23 -0.98 -4.91 120.40 105.55 2vtx s VAL 100 Ca 0.36 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2vtx s VAL 100 Cb -0.14 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 2vtx s VAL 100 CO 0.19 -0.36 0.14 -0.89 -0.31 0.00 0.00 175.10 173.87 2vtx s THR 101 N -1.10 5.03 -0.08 5.32 2.01 -0.92 -1.28 115.64 124.62 2vtx s THR 101 Ca -0.12 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.51 2vtx s THR 101 Cb -0.07 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2vtx s THR 101 CO -0.00 0.26 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.68 2vtx s PHE 102 N -1.33 2.70 -0.03 4.92 0.40 -0.64 -1.75 117.98 122.25 2vtx s PHE 102 Ca 0.28 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2vtx s PHE 102 Cb -0.12 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2vtx s PHE 102 CO 0.19 -0.04 -0.02 0.50 0.70 0.00 0.00 175.22 176.56 2vtx s ARG 103 N -0.21 0.39 -1.19 0.44 3.52 -0.30 -1.32 118.95 120.26 2vtx s ARG 103 Ca 0.00 -0.00 -0.17 0.00 -0.13 0.00 0.00 55.73 55.44 2vtx s ARG 103 Cb -0.13 -0.49 0.12 0.00 -1.56 0.00 0.00 34.95 32.88 2vtx s ARG 103 CO 0.03 -0.08 1.51 -1.17 -0.81 0.00 0.00 175.30 174.78 2vtx s LEU 104 N 0.75 4.51 0.26 -0.88 2.96 -0.48 -0.35 118.68 125.45 2vtx s LEU 104 Ca -0.08 -2.58 -0.02 0.00 -0.22 0.00 0.00 54.13 51.24 2vtx s LEU 104 Cb -0.11 -2.48 0.51 0.00 0.50 0.00 0.00 46.19 44.61 2vtx s LEU 104 CO -0.01 -0.99 1.76 0.50 -1.32 0.00 0.00 176.35 176.29 2vtx h LYS 105 N 7.70 0.58 -4.53 1.98 3.64 -1.60 -3.44 116.57 120.91 2vtx h LYS 105 Ca 0.33 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.48 2vtx h LYS 105 Cb 0.90 -0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 32.44 2vtx h LYS 105 CO 1.32 0.39 -0.68 0.00 -2.27 0.00 0.00 179.45 178.20 2vtx s ALA 106 N -5.98 0.88 0.00 5.00 0.00 -1.08 -4.90 121.76 115.67 2vtx s ALA 106 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2vtx s ALA 106 Cb 0.21 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2vtx s ALA 106 CO 0.78 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2vtx n GLY 107 N -0.03 0.66 0.07 0.00 0.00 -1.20 -1.91 105.19 102.79 2vtx n GLY 107 Ca -0.11 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.65 0.36 -0.40 1.61 3.41 -1.26 -4.57 113.62 112.12 2vtx n SER 108 Ca 0.00 0.15 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 2vtx n SER 108 Cb 0.00 1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.96 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 1.41 -1.85 3.77 5.00 0.00 -1.26 -0.76 105.19 111.50 2vtx n GLY 109 Ca -0.12 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.48 3.89 -0.08 1.61 0.02 -1.26 -4.23 135.00 134.46 2vtx s PRO 110 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2vtx s PRO 110 Cb 0.00 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.85 2vtx s PRO 110 CO 0.00 -0.55 -0.06 -1.17 -0.33 0.00 0.00 177.00 174.89 2vtx s LEU 111 N -2.56 1.18 -0.12 -5.54 0.20 -0.38 -1.16 118.68 110.30 2vtx s LEU 111 Ca 0.58 -0.23 -0.05 0.00 0.69 0.00 0.00 54.13 55.12 2vtx s LEU 111 Cb -0.37 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 2vtx s LEU 111 CO 0.47 -0.09 0.09 -0.31 -0.29 0.00 0.00 176.35 176.22 2vtx s TYR 112 N 1.42 3.41 -0.06 5.38 1.51 0.33 -0.74 117.35 128.60 2vtx s TYR 112 Ca -0.02 0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 2vtx s TYR 112 Cb -0.13 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2vtx s TYR 112 CO -0.04 0.58 -0.21 0.42 -1.11 0.00 0.00 175.55 175.19 2vtx s ILE 113 N -0.80 2.43 0.30 2.71 1.01 -0.27 -1.24 121.20 125.33 2vtx s ILE 113 Ca 0.13 -0.93 0.11 0.00 0.00 0.00 0.00 60.65 59.95 2vtx s ILE 113 Cb -0.12 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2vtx s ILE 113 CO 0.03 0.57 -0.11 -0.94 0.00 0.00 0.00 174.94 174.49 2vtx s SER 114 N -0.26 3.88 0.26 3.58 1.04 -0.71 -1.69 113.70 119.80 2vtx s SER 114 Ca 0.00 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.30 2vtx s SER 114 Cb -0.13 -0.44 0.06 0.00 0.10 0.00 0.00 66.02 65.60 2vtx s SER 114 CO 0.03 -0.05 0.75 0.61 0.98 0.00 0.00 173.24 175.56 2vtx n GLY 115 N -0.75 0.96 2.85 7.32 0.00 0.02 -1.62 105.19 113.96 2vtx n GLY 115 Ca -0.05 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.06 0.63 -0.23 1.61 -0.21 -0.35 -0.39 119.66 118.65 2vtx s GLN 116 Ca 0.16 -0.02 -0.29 0.00 0.02 0.00 0.00 55.36 55.23 2vtx s GLN 116 Cb -0.03 -0.75 -0.03 0.00 1.00 0.00 0.00 33.01 33.20 2vtx s GLN 116 CO 0.08 -0.13 1.82 -1.01 -2.12 0.00 0.00 175.29 173.93 2vtx s HIS 117 N 1.10 1.76 -0.06 0.91 3.76 -1.10 -1.41 115.29 120.24 2vtx s HIS 117 Ca -0.08 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 55.30 2vtx s HIS 117 Cb -0.14 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.51 2vtx s HIS 117 CO -0.01 -3.42 0.52 0.28 -0.85 0.00 0.00 174.74 171.26