#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 n SER 2 N 0.00 -0.67 -4.95 1.61 2.88 -1.26 -5.14 113.62 106.09 1v27 n SER 2 Ca 0.00 0.16 -0.23 0.00 -1.33 0.00 0.00 58.87 57.47 1v27 n SER 2 Cb 0.00 0.96 0.02 0.00 -0.75 0.00 0.00 64.21 64.44 1v27 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v27 s SER 3 N -2.57 5.57 0.00 -3.46 0.01 -1.26 -5.04 113.70 106.96 1v27 s SER 3 Ca 0.00 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1v27 s SER 3 Cb 0.00 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1v27 s SER 3 CO 0.00 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1v27 n GLY 4 N -2.26 3.83 3.60 3.44 0.00 -1.26 -5.18 105.19 107.35 1v27 n GLY 4 Ca 0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 1v27 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v27 s SER 5 N 0.00 -0.21 -0.34 1.61 0.01 -1.26 -5.04 113.70 108.47 1v27 s SER 5 Ca 0.00 0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 1v27 s SER 5 Cb 0.00 0.19 0.28 0.00 0.21 0.00 0.00 66.02 66.70 1v27 s SER 5 CO 0.00 -0.24 1.24 -0.24 0.41 0.00 0.00 173.24 174.42 1v27 n SER 6 N 0.43 -1.39 -4.45 2.44 2.88 -1.26 -5.12 113.62 107.15 1v27 n SER 6 Ca -0.05 -1.90 -0.45 0.00 -1.33 0.00 0.00 58.87 55.14 1v27 n SER 6 Cb 0.59 0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 64.89 1v27 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v27 n GLY 7 N 1.34 -1.44 0.00 0.46 0.00 -1.26 -4.61 105.19 99.67 1v27 n GLY 7 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1v27 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v27 n GLY 8 N 1.80 3.30 3.09 -0.02 0.00 -1.26 -4.82 105.19 107.27 1v27 n GLY 8 Ca 0.13 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 4.20 0.22 -0.10 1.61 -0.21 -1.04 -1.73 119.66 122.62 1v27 s GLN 9 Ca 0.00 0.75 -0.00 0.00 0.02 0.00 0.00 55.36 56.12 1v27 s GLN 9 Cb 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 33.01 33.99 1v27 s GLN 9 CO 0.00 -0.23 -0.07 -1.17 -2.12 0.00 0.00 175.29 171.70 1v27 s LEU 10 N 2.04 3.14 -0.27 2.90 0.20 0.12 -1.76 118.68 125.04 1v27 s LEU 10 Ca -0.03 -0.08 -0.11 0.00 0.69 0.00 0.00 54.13 54.60 1v27 s LEU 10 Cb -0.11 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.90 1v27 s LEU 10 CO -0.10 0.30 0.19 -0.44 -0.29 0.00 0.00 176.35 176.01 1v27 s SER 11 N -0.41 6.04 -0.08 3.68 0.01 -0.62 -0.36 113.70 121.97 1v27 s SER 11 Ca 0.06 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1v27 s SER 11 Cb -0.12 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.01 1v27 s SER 11 CO 0.02 -0.03 -0.07 -0.63 0.41 0.00 0.00 173.24 172.94 1v27 s ILE 12 N 1.65 0.81 -0.34 1.44 1.01 -1.12 -2.48 121.20 122.17 1v27 s ILE 12 Ca 0.07 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1v27 s ILE 12 Cb -0.16 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1v27 s ILE 12 CO 0.10 0.31 0.23 -0.75 0.00 0.00 0.00 174.94 174.82 1v27 s LYS 13 N 1.26 3.35 0.17 2.79 2.20 0.42 -3.95 119.74 125.98 1v27 s LYS 13 Ca -0.05 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 1v27 s LYS 13 Cb -0.14 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1v27 s LYS 13 CO -0.02 -0.49 0.08 -0.51 -0.36 0.00 0.00 175.35 174.04 1v27 s LEU 14 N 1.68 3.61 0.15 5.43 1.43 -1.26 0.15 118.68 129.87 1v27 s LEU 14 Ca 0.05 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 1v27 s LEU 14 Cb -0.18 -2.23 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1v27 s LEU 14 CO 0.09 0.08 0.56 0.86 0.23 0.00 0.00 176.35 178.17 1v27 s TRP 15 N -1.75 -0.47 -0.14 0.29 -0.11 0.32 -1.74 118.94 115.34 1v27 s TRP 15 Ca 0.30 0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.87 1v27 s TRP 15 Cb -0.10 0.49 0.02 0.00 -1.50 0.00 0.00 33.47 32.39 1v27 s TRP 15 CO 0.21 -0.81 -0.13 0.12 -4.62 0.00 0.00 176.95 171.72 1v27 s PHE 16 N -3.72 2.01 -1.03 5.86 5.36 -1.26 0.77 117.98 125.97 1v27 s PHE 16 Ca 0.01 -1.10 -0.10 0.00 -0.96 0.00 0.00 56.93 54.78 1v27 s PHE 16 Cb -0.00 -1.51 0.26 0.00 -0.34 0.00 0.00 43.02 41.43 1v27 s PHE 16 CO -0.12 -0.62 1.01 -0.51 -1.46 0.00 0.00 175.22 173.51 1v27 s ASP 17 N 1.50 7.14 0.57 6.13 1.01 0.11 -4.83 116.67 128.29 1v27 s ASP 17 Ca 0.04 -3.36 0.38 0.00 0.71 0.00 0.00 52.55 50.32 1v27 s ASP 17 Cb -0.13 -2.20 2.08 0.00 1.01 0.00 0.00 42.92 43.68 1v27 s ASP 17 CO -0.10 -0.36 2.17 0.07 0.21 0.00 0.00 175.17 177.16 1v27 h LYS 18 N 6.95 0.00 0.14 8.23 -0.00 -1.94 0.86 116.57 130.81 1v27 h LYS 18 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.81 1v27 h LYS 18 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.13 1v27 h LYS 18 CO 0.94 0.00 -0.25 0.28 -0.00 0.00 0.00 179.45 180.42 1v27 h VAL 19 N 0.00 0.00 -0.32 0.07 2.07 -1.94 -3.15 116.25 112.98 1v27 h VAL 19 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1v27 h VAL 19 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1v27 h VAL 19 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1v27 n GLY 20 N -1.25 1.63 2.95 2.17 0.00 -1.04 -4.98 105.19 104.66 1v27 n GLY 20 Ca -0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 1.09 -2.01 -4.76 1.61 -0.00 0.29 -4.72 115.22 106.71 1v27 n HIS 21 Ca 0.15 0.71 -0.24 0.00 -0.00 0.00 0.00 57.72 58.35 1v27 n HIS 21 Cb 0.50 -3.91 -0.15 0.00 -0.00 0.00 0.00 29.99 26.43 1v27 n HIS 21 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1v27 s GLN 22 N -4.23 1.34 -0.29 -0.41 -0.21 -0.31 0.18 119.66 115.74 1v27 s GLN 22 Ca 0.34 -0.57 -0.19 0.00 0.02 0.00 0.00 55.36 54.96 1v27 s GLN 22 Cb -0.04 -1.28 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 1v27 s GLN 22 CO 0.61 0.33 0.58 -1.17 -2.12 0.00 0.00 175.29 173.53 1v27 s LEU 23 N -0.33 4.12 -0.11 2.90 2.96 0.17 0.04 118.68 128.43 1v27 s LEU 23 Ca 0.05 0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 54.26 1v27 s LEU 23 Cb -0.07 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 1v27 s LEU 23 CO -0.00 -0.40 0.41 -0.63 -1.32 0.00 0.00 176.35 174.40 1v27 s ILE 24 N 2.48 5.19 -0.24 6.68 1.09 0.23 -0.38 121.20 136.25 1v27 s ILE 24 Ca 0.24 0.81 -0.03 0.00 -1.10 0.00 0.00 60.65 60.57 1v27 s ILE 24 Cb -0.15 -3.74 0.11 0.00 -1.06 0.00 0.00 42.46 37.62 1v27 s ILE 24 CO 0.11 0.39 0.24 0.54 -0.10 0.00 0.00 174.94 176.12 1v27 s VAL 25 N 0.26 -0.34 -0.25 2.92 0.11 0.52 0.12 120.40 123.74 1v27 s VAL 25 Ca 0.23 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1v27 s VAL 25 Cb -0.15 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1v27 s VAL 25 CO 0.09 -0.35 0.12 -0.89 -3.33 0.00 0.00 175.10 170.74 1v27 s THR 26 N 2.33 4.84 -0.67 5.04 2.01 0.39 -1.16 115.64 128.41 1v27 s THR 26 Ca 0.08 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1v27 s THR 26 Cb -0.15 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.15 1v27 s THR 26 CO -0.22 0.33 1.05 -0.63 -0.69 0.00 0.00 174.62 174.46 1v27 s ILE 27 N 1.39 4.17 0.00 1.82 -1.09 -1.11 -0.43 121.20 125.94 1v27 s ILE 27 Ca 0.06 -0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1v27 s ILE 27 Cb -0.15 -4.74 0.00 0.00 -1.58 0.00 0.00 42.46 35.99 1v27 s ILE 27 CO 0.06 -1.55 0.00 0.18 -1.23 0.00 0.00 174.94 172.40 1v27 n LEU 28 N 8.14 0.00 -3.96 2.97 4.77 -1.03 0.19 117.00 128.08 1v27 n LEU 28 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1v27 n LEU 28 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1v27 n LEU 28 CO 0.66 0.00 0.28 -0.83 -1.33 0.00 0.00 177.39 176.17 1v27 s GLY 29 N 0.00 0.48 0.25 -0.72 0.00 -1.24 0.80 107.32 106.89 1v27 s GLY 29 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 44.01 1v27 s GLY 29 CO 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 173.10 172.60 1v27 s ALA 30 N -3.72 3.20 0.24 3.20 0.00 -0.77 -1.60 121.76 122.32 1v27 s ALA 30 Ca 0.20 -1.59 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 1v27 s ALA 30 Cb -0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1v27 s ALA 30 CO 0.10 0.30 0.46 -1.59 0.00 0.00 0.00 175.76 175.03 1v27 s LYS 31 N -3.57 1.53 -1.69 0.00 0.00 -0.72 -3.49 119.74 111.79 1v27 s LYS 31 Ca 0.31 -1.26 0.00 0.00 0.00 0.00 0.00 55.97 55.02 1v27 s LYS 31 Cb -0.07 0.46 0.00 0.00 0.00 0.00 0.00 37.83 38.22 1v27 s LYS 31 CO 0.20 -0.63 0.00 -0.25 0.00 0.00 0.00 175.35 174.67 1v27 n ASP 32 N -0.37 -5.20 -4.81 0.03 9.92 -1.26 -2.49 116.55 112.37 1v27 n ASP 32 Ca -0.02 0.18 -0.33 0.00 -0.53 0.00 0.00 54.79 54.09 1v27 n ASP 32 Cb 0.62 -4.27 -0.01 0.00 -0.64 0.00 0.00 41.12 36.82 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1v27 s LEU 33 N -4.69 3.62 0.57 0.64 1.43 -1.26 -4.39 118.68 114.61 1v27 s LEU 33 Ca 0.00 1.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.72 1v27 s LEU 33 Cb 0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1v27 s LEU 33 CO 0.00 -0.92 1.05 -2.16 0.23 0.00 0.00 176.35 174.55 1v27 s PRO 34 N -3.84 3.44 0.12 1.29 0.04 -1.26 -5.00 135.00 129.79 1v27 s PRO 34 Ca 0.63 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1v27 s PRO 34 Cb -0.14 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1v27 s PRO 34 CO 0.31 -0.71 0.03 0.45 0.04 0.00 0.00 177.00 177.12 1v27 n SER 35 N -1.88 1.41 -3.76 6.66 2.88 -1.26 -4.86 113.62 112.82 1v27 n SER 35 Ca 0.08 -1.60 -0.12 0.00 -1.33 0.00 0.00 58.87 55.91 1v27 n SER 35 Cb 0.53 0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 64.14 1v27 n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v27 s ARG 36 N -2.44 0.78 1.67 -1.46 1.70 -0.96 -5.05 118.95 113.18 1v27 s ARG 36 Ca 0.04 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1v27 s ARG 36 Cb 0.00 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1v27 s ARG 36 CO 0.03 -0.25 0.00 0.39 -1.08 0.00 0.00 175.30 174.39 1v27 n GLU 37 N 0.67 -0.38 0.20 3.89 -0.58 -1.26 -1.23 120.64 121.95 1v27 n GLU 37 Ca -0.19 0.25 0.06 0.00 -0.42 0.00 0.00 57.16 56.86 1v27 n GLU 37 Cb 0.59 -0.46 0.39 0.00 -0.57 0.00 0.00 31.44 31.39 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1v27 h ASP 38 N -0.17 0.00 -0.43 1.62 5.19 -2.05 -3.40 116.42 117.17 1v27 h ASP 38 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1v27 h ASP 38 Cb 0.17 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.52 1v27 h ASP 38 CO 0.00 0.35 -0.23 -0.83 -3.12 0.00 0.00 179.24 175.41 1v27 s GLY 39 N -4.33 -1.67 -0.21 2.75 0.00 -1.24 -5.13 107.32 97.49 1v27 s GLY 39 Ca -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 1v27 s GLY 39 CO 0.68 4.12 0.24 0.50 0.00 0.00 0.00 173.10 178.65 1v27 s ARG 40 N 1.17 0.21 0.00 2.90 0.52 -0.36 -5.05 118.95 118.35 1v27 s ARG 40 Ca 0.23 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1v27 s ARG 40 Cb 0.07 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.43 1v27 s ARG 40 CO -0.10 -0.66 0.00 -0.35 0.02 0.00 0.00 175.30 174.21 1v27 n PRO 41 N 5.32 0.63 -1.69 3.54 -0.04 -1.26 -2.27 135.00 139.23 1v27 n PRO 41 Ca -0.05 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1v27 n PRO 41 Cb 0.50 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1v27 n PRO 41 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v27 n ARG 42 N -0.31 0.01 -3.81 0.54 1.85 -1.26 -4.80 116.66 108.88 1v27 n ARG 42 Ca 0.00 -0.05 -0.31 0.00 -1.00 0.00 0.00 57.85 56.49 1v27 n ARG 42 Cb 0.00 0.04 -0.10 0.00 -1.05 0.00 0.00 32.46 31.35 1v27 n ARG 42 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1v27 s ASN 43 N -1.03 5.19 0.80 2.89 0.01 -1.26 0.14 114.94 121.67 1v27 s ASN 43 Ca 0.00 -3.71 -0.11 0.00 -0.71 0.00 0.00 52.86 48.33 1v27 s ASN 43 Cb -0.00 -1.74 0.07 0.00 0.41 0.00 0.00 41.25 39.99 1v27 s ASN 43 CO 0.00 -0.14 1.10 -2.16 -1.51 0.00 0.00 177.10 174.39 1v27 s PRO 44 N -1.28 2.08 -0.29 -0.60 0.04 -1.21 -0.67 135.00 133.07 1v27 s PRO 44 Ca 0.25 0.64 -0.21 0.00 0.04 0.00 0.00 61.00 61.72 1v27 s PRO 44 Cb -0.08 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.72 1v27 s PRO 44 CO -0.13 -1.62 1.24 1.52 0.04 0.00 0.00 177.00 178.05 1v27 s TYR 45 N -3.16 -0.21 0.40 0.56 -0.85 -0.58 -2.41 117.35 111.10 1v27 s TYR 45 Ca 0.61 0.46 -0.01 0.00 -0.52 0.00 0.00 57.07 57.61 1v27 s TYR 45 Cb -0.14 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1v27 s TYR 45 CO 0.54 -0.10 0.63 0.08 -1.52 0.00 0.00 175.55 175.18 1v27 s VAL 46 N 0.60 4.93 -0.26 -3.49 1.01 -1.26 -2.38 120.40 119.55 1v27 s VAL 46 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1v27 s VAL 46 Cb -0.04 -3.82 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1v27 s VAL 46 CO -0.12 -0.62 0.34 -0.75 0.00 0.00 0.00 175.10 173.95 1v27 s LYS 47 N -4.47 0.34 0.21 2.72 2.20 -0.75 -3.52 119.74 116.46 1v27 s LYS 47 Ca 0.43 0.22 -0.08 0.00 -0.36 0.00 0.00 55.97 56.18 1v27 s LYS 47 Cb -0.10 -0.58 -0.07 0.00 -1.51 0.00 0.00 37.83 35.58 1v27 s LYS 47 CO 0.39 -0.84 0.50 0.42 -0.36 0.00 0.00 175.35 175.46 1v27 s ILE 48 N 2.47 5.01 -0.31 5.43 1.01 0.37 -2.99 121.20 132.19 1v27 s ILE 48 Ca 0.10 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.10 1v27 s ILE 48 Cb -0.14 -3.63 0.17 0.00 0.01 0.00 0.00 42.46 38.87 1v27 s ILE 48 CO -0.23 -0.06 0.48 -0.31 0.00 0.00 0.00 174.94 174.83 1v27 s TYR 49 N -1.79 -1.28 -0.26 3.97 2.02 -1.24 -2.34 117.35 116.43 1v27 s TYR 49 Ca 0.45 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 1v27 s TYR 49 Cb -0.11 0.01 -0.06 0.00 -0.40 0.00 0.00 41.96 41.40 1v27 s TYR 49 CO 0.23 -1.04 2.24 0.34 -1.57 0.00 0.00 175.55 175.75 1v27 n PHE 50 N 5.18 1.87 -1.68 2.71 -0.00 -1.10 -3.82 117.46 120.61 1v27 n PHE 50 Ca 0.04 -0.05 -0.32 0.00 -0.00 0.00 0.00 57.45 57.12 1v27 n PHE 50 Cb 0.51 -2.69 0.04 0.00 -0.00 0.00 0.00 39.48 37.34 1v27 n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1v27 s LEU 51 N 8.53 3.24 0.00 -2.13 1.02 -1.13 -1.06 118.68 127.15 1v27 s LEU 51 Ca 1.02 1.71 0.22 0.00 0.02 0.00 0.00 54.13 57.10 1v27 s LEU 51 Cb -0.39 -4.51 1.05 0.00 0.02 0.00 0.00 46.19 42.35 1v27 s LEU 51 CO 0.36 -1.43 1.72 -0.81 0.02 0.00 0.00 176.35 176.21 1v27 n PRO 52 N -2.82 0.17 -1.56 1.29 -0.04 -1.26 -4.39 135.00 126.38 1v27 n PRO 52 Ca 0.08 0.10 -0.55 0.00 -0.04 0.00 0.00 63.50 63.09 1v27 n PRO 52 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1v27 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v27 n ASP 53 N -1.38 1.05 -2.69 3.54 2.03 -0.22 -4.84 116.55 114.03 1v27 n ASP 53 Ca 0.08 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.51 1v27 n ASP 53 Cb 0.22 -1.09 0.12 0.00 -0.72 0.00 0.00 41.12 39.65 1v27 n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v27 n ARG 54 N 2.25 1.41 -0.00 -0.67 1.74 -1.26 -4.18 116.66 115.95 1v27 n ARG 54 Ca 0.19 -1.51 -0.03 0.00 -0.77 0.00 0.00 57.85 55.73 1v27 n ARG 54 Cb 0.14 0.16 -0.01 0.00 -1.02 0.00 0.00 32.46 31.74 1v27 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1v27 n SER 55 N -1.42 1.19 0.00 0.55 7.64 -1.26 -5.06 113.62 115.26 1v27 n SER 55 Ca -0.15 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1v27 n SER 55 Cb 0.87 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1v27 n SER 55 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1v27 n ASP 56 N -3.64 0.00 -0.38 6.43 5.75 -1.26 -4.97 116.55 118.48 1v27 n ASP 56 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.70 1v27 n ASP 56 Cb 0.17 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v27 n LYS 57 N 0.00 -0.27 -2.71 0.11 5.02 -1.26 -0.33 118.16 118.72 1v27 n LYS 57 Ca 0.00 1.48 -0.34 0.00 -2.02 0.00 0.00 58.31 57.42 1v27 n LYS 57 Cb 0.00 -2.19 -0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1v27 n ASN 58 N -5.37 6.06 -4.05 4.39 4.13 -1.26 -4.94 115.26 114.22 1v27 n ASN 58 Ca 0.08 -3.70 -0.32 0.00 1.68 0.00 0.00 54.58 52.32 1v27 n ASN 58 Cb 0.35 -0.88 -0.14 0.00 -1.54 0.00 0.00 39.78 37.58 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1v27 s LYS 59 N -3.93 1.71 -0.27 3.52 2.20 0.55 -2.70 119.74 120.83 1v27 s LYS 59 Ca 0.44 -1.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.22 1v27 s LYS 59 Cb 0.25 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1v27 s LYS 59 CO -0.16 -0.90 0.05 1.03 -0.36 0.00 0.00 175.35 175.01 1v27 s ARG 60 N 0.99 3.22 -0.03 4.03 1.81 -0.99 -5.01 118.95 122.96 1v27 s ARG 60 Ca 0.07 -0.76 0.04 0.00 -1.72 0.00 0.00 55.73 53.36 1v27 s ARG 60 Cb -0.20 -3.28 -0.00 0.00 -0.45 0.00 0.00 34.95 31.01 1v27 s ARG 60 CO -0.07 -0.36 -0.16 0.50 -0.68 0.00 0.00 175.30 174.53 1v27 s ARG 61 N 1.50 1.60 0.71 3.54 3.52 -1.26 -0.48 118.95 128.09 1v27 s ARG 61 Ca 0.04 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 54.96 1v27 s ARG 61 Cb -0.16 -1.43 0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1v27 s ARG 61 CO 0.01 0.25 1.07 0.95 -0.81 0.00 0.00 175.30 176.78 1v27 s THR 62 N -0.03 2.98 0.51 4.11 -4.23 -1.23 -5.01 115.64 112.74 1v27 s THR 62 Ca -0.02 0.17 -0.23 0.00 -1.18 0.00 0.00 61.69 60.43 1v27 s THR 62 Cb -0.10 -3.29 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 1v27 s THR 62 CO 0.01 -0.36 1.34 2.29 -0.54 0.00 0.00 174.62 177.37 1v27 n LYS 63 N -2.99 1.80 -2.65 3.99 2.85 -1.26 -4.75 118.16 115.14 1v27 n LYS 63 Ca 0.07 0.65 -0.43 0.00 -1.05 0.00 0.00 58.31 57.55 1v27 n LYS 63 Cb 0.59 -2.54 -0.02 0.00 -0.65 0.00 0.00 35.03 32.40 1v27 n LYS 63 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1v27 s THR 64 N -1.27 4.28 0.44 0.58 2.01 -1.26 -4.81 115.64 115.61 1v27 s THR 64 Ca 0.68 1.14 -0.21 0.00 0.31 0.00 0.00 61.69 63.60 1v27 s THR 64 Cb -0.44 -4.56 -0.10 0.00 0.01 0.00 0.00 72.50 67.42 1v27 s THR 64 CO 0.52 -0.95 0.99 -0.69 -0.69 0.00 0.00 174.62 173.80 1v27 s VAL 65 N 4.27 4.09 -0.10 3.82 1.01 -1.01 -5.01 120.40 127.46 1v27 s VAL 65 Ca 0.45 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.83 1v27 s VAL 65 Cb -0.08 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1v27 s VAL 65 CO 0.30 -0.22 -0.19 -0.54 0.00 0.00 0.00 175.10 174.45 1v27 s LYS 66 N -3.03 2.60 -0.31 2.72 -0.14 -1.26 -3.32 119.74 117.00 1v27 s LYS 66 Ca 0.62 -0.72 -0.10 0.00 -1.36 0.00 0.00 55.97 54.42 1v27 s LYS 66 Cb -0.14 -2.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1v27 s LYS 66 CO 0.18 0.07 0.26 1.63 -0.76 0.00 0.00 175.35 176.72 1v27 n LYS 67 N 3.80 -2.41 -3.16 1.68 5.02 0.38 -4.93 118.16 118.54 1v27 n LYS 67 Ca -0.20 2.07 0.05 0.00 -2.02 0.00 0.00 58.31 58.22 1v27 n LYS 67 Cb 0.52 -4.26 -0.03 0.00 -0.02 0.00 0.00 35.03 31.25 1v27 n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1v27 s THR 68 N -1.78 -0.07 0.09 -0.18 -1.32 -0.51 -4.82 115.64 107.05 1v27 s THR 68 Ca 0.12 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.87 1v27 s THR 68 Cb -0.03 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.26 1v27 s THR 68 CO 0.65 0.00 1.87 -0.07 -2.21 0.00 0.00 174.62 174.86 1v27 h LEU 69 N 7.72 0.00 -7.04 9.08 4.07 -1.93 -3.37 115.31 123.83 1v27 h LEU 69 Ca -0.11 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.16 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.50 1v27 h LEU 69 CO -0.14 0.13 -0.74 -1.61 -1.08 0.00 0.00 178.44 175.00 1v27 s GLU 70 N -3.63 1.14 0.43 1.13 2.02 -1.26 -4.05 118.70 114.49 1v27 s GLU 70 Ca 0.01 -1.76 -0.23 0.00 0.02 0.00 0.00 54.97 53.01 1v27 s GLU 70 Cb 0.09 -2.26 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1v27 s GLU 70 CO 0.61 -1.11 1.05 -1.25 0.02 0.00 0.00 175.26 174.57 1v27 s PRO 71 N 0.69 4.02 -0.39 0.39 0.04 -1.23 -4.81 135.00 133.71 1v27 s PRO 71 Ca 0.16 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1v27 s PRO 71 Cb -0.23 -2.37 0.12 0.00 0.04 0.00 0.00 34.50 32.06 1v27 s PRO 71 CO -0.06 -0.26 0.16 0.15 0.04 0.00 0.00 177.00 177.04 1v27 s LYS 72 N -2.78 1.24 -0.16 4.56 3.01 -1.26 -1.84 119.74 122.50 1v27 s LYS 72 Ca 0.61 -1.77 -0.16 0.00 -1.01 0.00 0.00 55.97 53.64 1v27 s LYS 72 Cb -0.20 -2.53 -0.23 0.00 -1.01 0.00 0.00 37.83 33.86 1v27 s LYS 72 CO 0.25 -1.06 0.35 -1.49 0.51 0.00 0.00 175.35 173.91 1v27 h TRP 73 N 7.30 0.23 -5.79 3.18 6.55 0.28 -3.47 115.95 124.23 1v27 h TRP 73 Ca -0.06 -0.17 -0.24 0.00 0.95 0.00 0.00 58.89 59.36 1v27 h TRP 73 Cb 0.97 -0.01 -0.14 0.00 -0.86 0.00 0.00 29.16 29.12 1v27 h TRP 73 CO 0.44 1.58 -0.35 0.09 -1.05 0.00 0.00 178.44 179.15 1v27 n ASN 74 N -4.06 -1.43 -3.55 -3.49 3.02 0.51 -4.87 115.26 101.41 1v27 n ASN 74 Ca -0.30 -0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 1v27 n ASN 74 Cb 0.83 -1.32 0.14 0.00 -0.61 0.00 0.00 39.78 38.82 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v27 n GLN 75 N -3.10 -0.69 -4.38 3.52 1.13 -0.91 -4.85 117.38 108.10 1v27 n GLN 75 Ca 0.04 -1.67 -0.19 0.00 -1.94 0.00 0.00 57.00 53.24 1v27 n GLN 75 Cb 0.48 -0.88 -0.15 0.00 0.11 0.00 0.00 30.24 29.81 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1v27 s THR 76 N -2.92 0.73 -0.10 5.09 2.01 -1.26 -2.76 115.64 116.44 1v27 s THR 76 Ca 0.54 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 1v27 s THR 76 Cb -0.02 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1v27 s THR 76 CO 0.38 0.21 0.09 -0.36 -0.69 0.00 0.00 174.62 174.25 1v27 s PHE 77 N -0.14 0.06 0.01 4.92 0.08 -0.31 -4.96 117.98 117.63 1v27 s PHE 77 Ca 0.02 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 1v27 s PHE 77 Cb -0.04 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1v27 s PHE 77 CO -0.00 -0.33 0.14 0.42 -0.10 0.00 0.00 175.22 175.36 1v27 s ILE 78 N 2.18 5.13 -0.18 0.64 1.01 -1.26 -0.36 121.20 128.37 1v27 s ILE 78 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1v27 s ILE 78 Cb -0.14 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 38.99 1v27 s ILE 78 CO -0.06 0.29 0.05 -0.31 0.00 0.00 0.00 174.94 174.92 1v27 s TYR 79 N -1.31 0.71 0.09 3.97 2.02 0.49 -4.91 117.35 118.41 1v27 s TYR 79 Ca 0.27 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 1v27 s TYR 79 Cb -0.12 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 1v27 s TYR 79 CO 0.19 -0.56 0.19 -1.54 -1.57 0.00 0.00 175.55 172.25 1v27 s SER 80 N 1.96 0.13 0.31 2.29 1.04 -1.26 0.42 113.70 118.59 1v27 s SER 80 Ca 0.00 -0.69 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 1v27 s SER 80 Cb -0.16 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO -0.08 -0.74 1.07 -2.16 0.98 0.00 0.00 173.24 172.32 1v27 s PRO 81 N -3.87 4.54 -0.11 4.02 0.04 -1.26 -5.07 135.00 133.28 1v27 s PRO 81 Ca 0.06 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1v27 s PRO 81 Cb 0.05 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.58 1v27 s PRO 81 CO -0.10 0.15 -0.05 0.08 0.04 0.00 0.00 177.00 177.12 1v27 s VAL 82 N -1.29 0.81 0.39 -0.36 1.01 0.48 -4.99 120.40 116.45 1v27 s VAL 82 Ca 0.48 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1v27 s VAL 82 Cb -0.29 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1v27 s VAL 82 CO 0.37 0.30 0.47 -1.00 0.00 0.00 0.00 175.10 175.24 1v27 s HIS 83 N 1.79 2.87 -0.36 5.22 3.76 -1.26 -4.03 115.29 123.28 1v27 s HIS 83 Ca 0.05 -0.36 0.23 0.00 -0.15 0.00 0.00 55.06 54.82 1v27 s HIS 83 Cb -0.13 -2.17 0.20 0.00 1.11 0.00 0.00 32.58 31.59 1v27 s HIS 83 CO -0.07 -0.18 1.37 -0.09 -0.85 0.00 0.00 174.74 174.92 1v27 h ARG 84 N 0.86 0.00 -0.00 1.40 9.65 -1.99 -3.16 114.38 121.13 1v27 h ARG 84 Ca -0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1v27 h ARG 84 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1v27 h ARG 84 CO 0.51 0.00 -0.07 2.89 2.80 0.00 0.00 179.97 186.10 1v27 n ARG 85 N -2.91 0.73 -0.08 0.20 -4.01 -1.26 -3.30 116.66 106.04 1v27 n ARG 85 Ca 0.02 -0.19 -0.08 0.00 -1.04 0.00 0.00 57.85 56.56 1v27 n ARG 85 Cb 0.54 -1.50 -0.15 0.00 -3.04 0.00 0.00 32.46 28.31 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1v27 n GLU 86 N -0.96 0.68 -0.24 2.89 -0.58 -1.19 -4.45 120.64 116.78 1v27 n GLU 86 Ca 0.16 0.03 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1v27 n GLU 86 Cb 0.25 -1.57 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1v27 n GLU 86 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v27 h PHE 87 N 0.00 -1.10 -0.63 -0.32 -1.00 -1.60 0.21 116.94 112.50 1v27 h PHE 87 Ca -0.46 0.08 0.11 0.00 2.81 0.00 0.00 57.97 60.52 1v27 h PHE 87 Cb 2.11 0.58 -0.12 0.00 3.61 0.00 0.00 35.95 42.13 1v27 h PHE 87 CO 0.00 -0.40 -0.33 -0.09 -1.61 0.00 0.00 178.31 175.88 1v27 h ARG 88 N -0.15 -0.13 -0.98 1.51 2.43 -1.78 0.97 114.38 116.24 1v27 h ARG 88 Ca 0.23 0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 1v27 h ARG 88 Cb 0.56 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.00 1v27 h ARG 88 CO -0.74 -0.09 0.30 0.39 -1.51 0.00 0.00 179.97 178.33 1v27 n GLU 89 N -5.44 1.73 -3.86 0.20 1.02 0.10 -4.80 120.64 109.59 1v27 n GLU 89 Ca 0.05 -1.51 -0.12 0.00 -0.02 0.00 0.00 57.16 55.56 1v27 n GLU 89 Cb 0.36 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1v27 n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v27 s ARG 90 N -1.67 0.17 -0.17 3.49 0.52 0.34 -4.87 118.95 116.75 1v27 s ARG 90 Ca 0.28 -0.00 -0.13 0.00 -0.52 0.00 0.00 55.73 55.36 1v27 s ARG 90 Cb 0.24 0.07 0.05 0.00 0.52 0.00 0.00 34.95 35.83 1v27 s ARG 90 CO 0.06 -0.03 0.44 1.41 0.02 0.00 0.00 175.30 177.20 1v27 s MET 91 N -0.26 0.47 -0.10 3.54 -2.45 -1.26 -2.89 119.30 116.35 1v27 s MET 91 Ca -0.03 0.72 -0.18 0.00 -1.25 0.00 0.00 55.69 54.95 1v27 s MET 91 Cb -0.02 0.12 -0.04 0.00 1.25 0.00 0.00 34.83 36.14 1v27 s MET 91 CO 0.00 -0.11 0.47 -0.51 1.05 0.00 0.00 175.02 175.92 1v27 s LEU 92 N 0.82 4.30 -0.42 4.11 1.43 0.84 -2.85 118.68 126.91 1v27 s LEU 92 Ca -0.05 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1v27 s LEU 92 Cb -0.06 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.60 1v27 s LEU 92 CO -0.06 0.04 0.19 -0.70 0.23 0.00 0.00 176.35 176.05 1v27 s GLU 93 N 0.44 1.93 0.13 1.70 2.12 -1.25 -1.06 118.70 122.71 1v27 s GLU 93 Ca 0.26 -1.98 -0.12 0.00 0.36 0.00 0.00 54.97 53.49 1v27 s GLU 93 Cb -0.15 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 1v27 s GLU 93 CO 0.11 -1.05 0.49 0.42 -0.54 0.00 0.00 175.26 174.68 1v27 s ILE 94 N 0.84 4.96 -0.06 -3.70 1.09 0.16 -3.66 121.20 120.83 1v27 s ILE 94 Ca 0.11 0.62 -0.06 0.00 -1.10 0.00 0.00 60.65 60.22 1v27 s ILE 94 Cb -0.22 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1v27 s ILE 94 CO -0.05 0.21 0.16 0.42 -0.10 0.00 0.00 174.94 175.58 1v27 s THR 95 N -1.49 0.00 -0.08 2.92 -4.23 -1.16 0.79 115.64 112.39 1v27 s THR 95 Ca 0.37 -0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1v27 s THR 95 Cb -0.14 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 1v27 s THR 95 CO 0.19 -0.01 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.90 1v27 s LEU 96 N 0.03 2.74 0.15 4.79 2.96 -0.22 -1.81 118.68 127.32 1v27 s LEU 96 Ca -0.01 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1v27 s LEU 96 Cb -0.01 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1v27 s LEU 96 CO 0.00 0.27 0.15 0.26 -1.32 0.00 0.00 176.35 175.72 1v27 s TRP 97 N -0.29 0.71 -0.30 5.38 0.52 -1.00 -0.69 118.94 123.27 1v27 s TRP 97 Ca 0.02 -1.07 0.03 0.00 0.02 0.00 0.00 56.10 55.11 1v27 s TRP 97 Cb -0.13 -0.32 0.08 0.00 -1.15 0.00 0.00 33.47 31.95 1v27 s TRP 97 CO 0.03 -0.61 -0.02 0.34 0.02 0.00 0.00 176.95 176.70 1v27 s ASP 98 N -3.03 4.54 -0.46 2.95 2.15 -1.26 -1.52 116.67 120.05 1v27 s ASP 98 Ca 0.23 -1.75 -0.40 0.00 0.43 0.00 0.00 52.55 51.06 1v27 s ASP 98 Cb 0.06 -1.54 -0.17 0.00 -0.30 0.00 0.00 42.92 40.97 1v27 s ASP 98 CO 0.02 -0.29 1.94 1.67 -0.17 0.00 0.00 175.17 178.34 1v27 n GLN 99 N 4.38 0.00 -3.12 4.34 0.00 0.16 -4.50 117.38 118.62 1v27 n GLN 99 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.82 1v27 n GLN 99 Cb 0.42 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 29.27 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 n ALA 100 N 6.82 0.21 -1.40 1.69 0.00 -1.26 -4.61 120.51 121.95 1v27 n ALA 100 Ca 0.50 -0.96 0.17 0.00 0.00 0.00 0.00 53.44 53.15 1v27 n ALA 100 Cb -0.04 0.56 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1v27 n ALA 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v27 n ARG 101 N -0.50 -3.08 -0.12 0.00 3.00 -1.26 -4.54 116.66 110.16 1v27 n ARG 101 Ca -0.07 2.43 -0.16 0.00 -0.00 0.00 0.00 57.85 60.05 1v27 n ARG 101 Cb 0.28 -3.66 -0.13 0.00 0.00 0.00 0.00 32.46 28.94 1v27 n ARG 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1v27 n VAL 102 N -4.24 1.46 -1.93 5.15 0.24 -1.26 -4.46 118.33 113.29 1v27 n VAL 102 Ca -0.07 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.34 61.20 1v27 n VAL 102 Cb 0.66 -1.20 0.03 0.00 -1.47 0.00 0.00 33.84 31.86 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1v27 n ARG 103 N -3.14 2.85 -0.42 7.34 1.74 -1.26 -5.03 116.66 118.74 1v27 n ARG 103 Ca -0.43 -3.50 0.06 0.00 -0.77 0.00 0.00 57.85 53.20 1v27 n ARG 103 Cb 1.03 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 1v27 n ARG 103 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v27 n GLU 104 N -0.44 -0.85 -0.28 5.56 1.02 -1.26 -4.95 120.64 119.45 1v27 n GLU 104 Ca 0.53 0.56 0.04 0.00 -0.02 0.00 0.00 57.16 58.27 1v27 n GLU 104 Cb 0.25 -1.03 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 1v27 n GLU 104 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 105 N -1.92 -0.55 -2.89 3.49 1.02 -1.26 -4.80 120.64 113.73 1v27 n GLU 105 Ca 0.00 0.36 -0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1v27 n GLU 105 Cb 0.19 -0.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1v27 n GLU 105 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 106 N -1.71 -2.36 -3.91 3.49 1.02 -1.26 -4.47 120.64 111.43 1v27 n GLU 106 Ca 0.00 2.08 -0.35 0.00 -0.02 0.00 0.00 57.16 58.87 1v27 n GLU 106 Cb 0.13 -3.77 -0.14 0.00 -0.02 0.00 0.00 31.44 27.63 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1v27 s SER 107 N -1.38 4.27 0.64 1.62 0.01 -1.26 -4.23 113.70 113.37 1v27 s SER 107 Ca -0.01 -0.44 0.41 0.00 1.31 0.00 0.00 55.95 57.22 1v27 s SER 107 Cb 0.00 -1.73 2.18 0.00 0.21 0.00 0.00 66.02 66.68 1v27 s SER 107 CO 0.50 -0.03 2.29 1.05 0.41 0.00 0.00 173.24 177.46 1v27 h GLU 108 N 8.10 0.00 -5.34 12.44 4.11 -1.94 -3.48 114.58 128.47 1v27 h GLU 108 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1v27 h GLU 108 Cb 1.15 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1v27 h GLU 108 CO 0.60 0.01 -0.86 0.34 0.07 0.00 0.00 179.01 179.17 1v27 n PHE 109 N -3.16 -2.59 0.07 2.06 7.35 -1.26 -4.87 117.46 115.06 1v27 n PHE 109 Ca -0.02 1.51 -0.07 0.00 -0.76 0.00 0.00 57.45 58.11 1v27 n PHE 109 Cb 0.12 -2.65 0.08 0.00 0.35 0.00 0.00 39.48 37.38 1v27 n PHE 109 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1v27 h LEU 110 N 4.50 0.37 0.00 -2.13 3.38 -1.24 -3.48 115.31 116.71 1v27 h LEU 110 Ca -0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1v27 h LEU 110 Cb 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1v27 h LEU 110 CO 0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1v27 n GLY 111 N 0.39 -2.68 2.89 0.83 0.00 -1.07 -4.26 105.19 101.28 1v27 n GLY 111 Ca -0.03 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 1v27 n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v27 s GLU 112 N -1.99 0.27 -0.28 1.61 -1.05 -0.66 -1.06 118.70 115.54 1v27 s GLU 112 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 54.75 1v27 s GLU 112 Cb 0.00 -0.32 0.04 0.00 -0.44 0.00 0.00 34.13 33.41 1v27 s GLU 112 CO 0.00 0.00 -0.02 0.42 0.95 0.00 0.00 175.26 176.61 1v27 s ILE 113 N 0.29 2.98 -0.11 1.83 1.01 0.24 -1.72 121.20 125.71 1v27 s ILE 113 Ca -0.03 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.25 1v27 s ILE 113 Cb -0.05 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1v27 s ILE 113 CO -0.01 0.01 0.32 -0.76 0.00 0.00 0.00 174.94 174.51 1v27 s LEU 114 N 1.29 4.32 0.00 2.97 2.01 -1.26 -0.66 118.68 127.35 1v27 s LEU 114 Ca -0.03 0.65 -0.01 0.00 0.01 0.00 0.00 54.13 54.75 1v27 s LEU 114 Cb -0.19 -2.43 -0.00 0.00 0.01 0.00 0.00 46.19 43.58 1v27 s LEU 114 CO -0.02 0.18 0.01 -0.63 1.01 0.00 0.00 176.35 176.90 1v27 s ILE 115 N -0.07 0.04 -0.07 -0.59 1.01 -0.22 -5.00 121.20 116.29 1v27 s ILE 115 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1v27 s ILE 115 Cb -0.14 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1v27 s ILE 115 CO 0.07 -0.17 -0.06 -1.61 0.00 0.00 0.00 174.94 173.17 1v27 s GLU 116 N -0.49 2.83 0.29 2.79 2.02 -1.26 -0.11 118.70 124.76 1v27 s GLU 116 Ca -0.05 -0.53 0.26 0.00 0.02 0.00 0.00 54.97 54.66 1v27 s GLU 116 Cb -0.03 -2.63 0.80 0.00 0.10 0.00 0.00 34.13 32.36 1v27 s GLU 116 CO -0.00 0.65 1.75 -0.07 0.02 0.00 0.00 175.26 177.60 1v27 h LEU 117 N 5.31 0.00 -1.20 1.80 4.07 -1.69 0.69 115.31 124.29 1v27 h LEU 117 Ca -0.48 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.54 1v27 h LEU 117 Cb 1.18 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.86 1v27 h LEU 117 CO 0.53 0.00 0.56 -0.08 -1.08 0.00 0.00 178.44 178.37 1v27 h GLU 118 N 0.00 0.95 0.00 1.13 4.81 -1.73 -3.18 114.58 116.56 1v27 h GLU 118 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1v27 h GLU 118 Cb 0.70 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1v27 h GLU 118 CO 0.00 0.63 -0.00 0.25 -0.73 0.00 0.00 179.01 179.15 1v27 n THR 119 N -4.48 0.29 -1.44 0.32 -2.24 -1.19 -4.87 114.28 100.68 1v27 n THR 119 Ca 0.12 -0.29 -0.52 0.00 -2.27 0.00 0.00 64.05 61.09 1v27 n THR 119 Cb 0.18 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 1v27 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v27 n ALA 120 N -0.15 -3.08 -2.24 6.98 0.00 0.24 -4.71 120.51 117.55 1v27 n ALA 120 Ca 0.00 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 1v27 n ALA 120 Cb 0.43 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 1v27 n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v27 s LEU 121 N 1.89 3.30 -1.13 0.00 1.43 -1.26 -4.86 118.68 118.05 1v27 s LEU 121 Ca 0.73 -1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1v27 s LEU 121 Cb -1.04 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 42.87 1v27 s LEU 121 CO 0.56 -2.32 1.28 0.18 0.23 0.00 0.00 176.35 176.28 1v27 n LEU 122 N 12.16 5.73 0.00 1.79 4.77 -1.26 -4.26 117.00 135.93 1v27 n LEU 122 Ca 0.40 -4.97 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1v27 n LEU 122 Cb 0.48 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1v27 n LEU 122 CO 0.64 1.33 0.28 -0.67 -1.33 0.00 0.00 177.39 177.65 1v27 n ASP 123 N 2.89 1.08 -1.94 -1.43 -0.08 -1.23 -4.72 116.55 111.13 1v27 n ASP 123 Ca 0.27 -1.24 -0.19 0.00 -1.51 0.00 0.00 54.79 52.12 1v27 n ASP 123 Cb 0.38 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1v27 n ASP 124 N -0.12 -5.48 -4.50 1.67 2.03 -0.71 -4.97 116.55 104.46 1v27 n ASP 124 Ca 0.00 0.17 -0.29 0.00 0.52 0.00 0.00 54.79 55.19 1v27 n ASP 124 Cb 0.11 -4.58 -0.11 0.00 -0.72 0.00 0.00 41.12 35.82 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1v27 s GLU 125 N -4.47 1.83 -0.12 -0.67 -1.05 -1.26 -4.96 118.70 108.00 1v27 s GLU 125 Ca 0.00 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.32 1v27 s GLU 125 Cb 0.00 -2.12 -0.02 0.00 -0.44 0.00 0.00 34.13 31.55 1v27 s GLU 125 CO 0.00 0.47 1.25 -1.25 0.95 0.00 0.00 175.26 176.69 1v27 s PRO 126 N -2.27 4.27 -0.07 -4.83 0.04 -1.26 -4.47 135.00 126.41 1v27 s PRO 126 Ca 0.19 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.95 1v27 s PRO 126 Cb -0.10 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1v27 s PRO 126 CO 0.11 -0.62 -0.16 -1.01 0.04 0.00 0.00 177.00 175.35 1v27 s HIS 127 N 3.06 1.78 0.13 0.56 3.76 -1.25 -5.02 115.29 118.31 1v27 s HIS 127 Ca 0.56 -0.63 -0.26 0.00 -0.15 0.00 0.00 55.06 54.58 1v27 s HIS 127 Cb -0.23 -1.24 -0.07 0.00 1.11 0.00 0.00 32.58 32.15 1v27 s HIS 127 CO 0.18 -0.27 0.81 -1.58 -0.85 0.00 0.00 174.74 173.02 1v27 s TRP 128 N 0.38 3.86 -0.09 1.40 0.52 -1.26 -2.78 118.94 120.97 1v27 s TRP 128 Ca -0.12 1.63 -0.00 0.00 0.02 0.00 0.00 56.10 57.63 1v27 s TRP 128 Cb -0.15 -2.83 0.02 0.00 -1.15 0.00 0.00 33.47 29.36 1v27 s TRP 128 CO 0.04 0.41 -0.05 0.71 0.02 0.00 0.00 176.95 178.08 1v27 s TYR 129 N -0.72 1.14 0.71 -1.98 2.02 0.52 -4.93 117.35 114.11 1v27 s TYR 129 Ca 0.38 -0.48 -0.15 0.00 -0.37 0.00 0.00 57.07 56.45 1v27 s TYR 129 Cb -0.23 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.35 1v27 s TYR 129 CO 0.26 -0.39 1.20 0.15 -1.57 0.00 0.00 175.55 175.20 1v27 s LYS 130 N 1.58 2.30 0.41 -0.62 3.01 -1.26 0.15 119.74 125.31 1v27 s LYS 130 Ca 0.01 1.73 -0.03 0.00 -1.01 0.00 0.00 55.97 56.67 1v27 s LYS 130 Cb -0.13 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 1v27 s LYS 130 CO -0.05 -1.70 0.66 -0.51 0.51 0.00 0.00 175.35 174.26 1v27 s LEU 131 N -5.00 3.83 -0.19 3.17 2.01 -0.70 -4.76 118.68 117.04 1v27 s LEU 131 Ca 0.74 0.70 -0.00 0.00 0.01 0.00 0.00 54.13 55.57 1v27 s LEU 131 Cb -0.28 -3.60 0.05 0.00 0.01 0.00 0.00 46.19 42.36 1v27 s LEU 131 CO 0.43 -0.43 -0.05 -1.10 1.01 0.00 0.00 176.35 176.21 1v27 s GLN 132 N -4.49 1.49 -0.49 1.70 -1.52 -0.70 -4.68 119.66 110.97 1v27 s GLN 132 Ca 0.44 -0.66 -0.05 0.00 -1.95 0.00 0.00 55.36 53.14 1v27 s GLN 132 Cb -0.10 -2.20 0.13 0.00 -0.22 0.00 0.00 33.01 30.62 1v27 s GLN 132 CO 0.40 -0.49 0.31 0.95 -0.25 0.00 0.00 175.29 176.21 1v27 s THR 133 N 1.57 3.70 -0.29 -0.19 -4.23 -1.26 -1.66 115.64 113.28 1v27 s THR 133 Ca -0.01 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.15 1v27 s THR 133 Cb -0.16 -3.47 0.14 0.00 1.34 0.00 0.00 72.50 70.34 1v27 s THR 133 CO -0.07 -0.77 0.90 -1.00 -0.54 0.00 0.00 174.62 173.14 1v27 s HIS 134 N 0.91 -0.75 -0.01 3.99 4.02 -1.26 -5.07 115.29 117.12 1v27 s HIS 134 Ca 0.10 1.43 -0.02 0.00 1.02 0.00 0.00 55.06 57.59 1v27 s HIS 134 Cb -0.23 0.45 0.01 0.00 -1.02 0.00 0.00 32.58 31.79 1v27 s HIS 134 CO -0.03 -0.37 0.03 -3.47 1.02 0.00 0.00 174.74 171.92 1v27 n ASP 135 N 4.23 -7.14 -4.10 1.40 2.03 -1.26 -5.06 116.55 106.65 1v27 n ASP 135 Ca -0.16 1.48 -0.19 0.00 0.52 0.00 0.00 54.79 56.44 1v27 n ASP 135 Cb 0.56 -4.49 -0.13 0.00 -0.72 0.00 0.00 41.12 36.33 1v27 n ASP 135 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1v27 s SER 136 N -0.50 1.41 0.00 1.67 0.15 -1.26 -5.12 113.70 110.04 1v27 s SER 136 Ca -0.04 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1v27 s SER 136 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1v27 s SER 136 CO 0.10 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1v27 n GLY 137 N 2.09 3.33 3.57 9.45 0.00 -1.26 -5.05 105.19 117.32 1v27 n GLY 137 Ca -0.17 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1v27 n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v27 s PRO 138 N -2.24 3.23 -0.36 1.61 0.04 -1.26 -4.97 135.00 131.05 1v27 s PRO 138 Ca 0.00 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 1v27 s PRO 138 Cb 0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1v27 s PRO 138 CO 0.00 -2.02 0.63 -1.54 0.04 0.00 0.00 177.00 174.12 1v27 s SER 139 N 4.95 6.42 0.29 6.66 1.04 -1.26 -5.04 113.70 126.77 1v27 s SER 139 Ca 0.56 0.14 0.09 0.00 0.48 0.00 0.00 55.95 57.22 1v27 s SER 139 Cb -0.12 -2.33 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 1v27 s SER 139 CO 0.25 -0.60 -0.12 -0.55 0.98 0.00 0.00 173.24 173.20 1v27 s SER 140 N 1.79 3.33 0.00 7.02 0.15 -1.26 -5.26 113.70 119.48 1v27 s SER 140 Ca 0.24 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1v27 s SER 140 Cb -0.14 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1v27 s SER 140 CO 0.15 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.04