#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j h PRO 2 N 0.00 -0.52 0.00 0.00 0.11 -2.14 -3.49 132.00 125.96 1e9j h PRO 2 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1e9j h PRO 2 Cb 0.00 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1e9j h PRO 2 CO 0.00 -0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 177.19 1e9j n ASP 3 N -5.18 0.00 -3.21 -2.05 5.75 -1.26 -5.19 116.55 105.41 1e9j n ASP 3 Ca -0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.49 1e9j n ASP 3 Cb 0.29 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.31 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1e9j n VAL 4 N 1.08 0.00 -3.56 2.12 0.24 -1.26 -5.13 118.33 111.82 1e9j n VAL 4 Ca 0.00 -2.22 -0.41 0.00 -2.04 0.00 0.00 64.34 59.67 1e9j n VAL 4 Cb 0.00 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.30 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j s GLN 5 N -3.29 2.65 0.28 7.34 -2.07 -1.26 -5.08 119.66 118.24 1e9j s GLN 5 Ca 0.32 -1.49 0.06 0.00 -1.82 0.00 0.00 55.36 52.43 1e9j s GLN 5 Cb 0.02 -3.86 -0.02 0.00 -1.09 0.00 0.00 33.01 28.05 1e9j s GLN 5 CO 0.23 -1.01 0.36 0.34 -1.32 0.00 0.00 175.29 173.89 1e9j s ASP 6 N 2.30 5.94 -0.08 12.60 -1.08 -1.26 -5.12 116.67 129.97 1e9j s ASP 6 Ca 0.04 -0.14 -0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1e9j s ASP 6 Cb -0.24 -1.47 0.02 0.00 -1.46 0.00 0.00 42.92 39.78 1e9j s ASP 6 CO 0.02 -0.22 -0.05 0.00 0.52 0.00 0.00 175.17 175.45 1e9j n PRO 8 N 4.66 0.00 -1.44 0.00 -0.02 -1.26 -4.73 135.00 132.21 1e9j n PRO 8 Ca -0.15 -0.88 0.18 0.00 -2.02 0.00 0.00 63.50 60.63 1e9j n PRO 8 Cb 0.50 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1e9j n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1e9j n GLU 9 N 7.31 -3.10 -2.73 -0.52 1.02 -1.26 -4.73 120.64 116.62 1e9j n GLU 9 Ca 0.37 2.33 -0.42 0.00 -0.02 0.00 0.00 57.16 59.42 1e9j n GLU 9 Cb 0.33 -3.71 -0.03 0.00 -0.02 0.00 0.00 31.44 28.01 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1e9j n THR 11 N 3.84 0.00 -2.86 0.00 5.66 -1.18 -4.94 114.28 114.81 1e9j n THR 11 Ca 0.05 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.64 1e9j n THR 11 Cb 0.51 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.25 1e9j n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1e9j s LEU 12 N 0.00 4.39 -0.67 1.09 1.02 -1.26 0.38 118.68 123.63 1e9j s LEU 12 Ca 0.00 1.51 0.01 0.00 0.02 0.00 0.00 54.13 55.67 1e9j s LEU 12 Cb 0.00 -3.38 0.39 0.00 0.02 0.00 0.00 46.19 43.22 1e9j s LEU 12 CO 0.00 -0.14 1.70 0.00 0.02 0.00 0.00 176.35 177.93 1e9j n GLN 13 N 3.49 3.00 0.00 1.70 6.02 -1.26 -4.80 117.38 125.53 1e9j n GLN 13 Ca 0.02 -3.83 0.00 0.00 -0.01 0.00 0.00 57.00 53.18 1e9j n GLN 13 Cb 0.51 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.50 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1e9j n GLU 14 N -0.58 0.00 -1.72 -1.09 2.13 -1.25 -4.49 120.64 113.64 1e9j n GLU 14 Ca 0.50 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.92 1e9j n GLU 14 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.14 1e9j n GLU 14 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1e9j s ASN 15 N 0.00 5.12 -0.04 4.31 3.84 1.42 -4.71 114.94 124.88 1e9j s ASN 15 Ca 0.00 1.26 0.03 0.00 0.21 0.00 0.00 52.86 54.36 1e9j s ASN 15 Cb 0.00 -2.51 0.16 0.00 -0.55 0.00 0.00 41.25 38.35 1e9j s ASN 15 CO 0.00 -2.33 0.79 -0.81 -2.79 0.00 0.00 177.10 171.97 1e9j n PRO 16 N 8.86 1.72 0.02 0.43 -0.04 -1.25 -2.46 135.00 142.27 1e9j n PRO 16 Ca 0.30 -0.61 -0.01 0.00 -0.04 0.00 0.00 63.50 63.14 1e9j n PRO 16 Cb 0.50 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1e9j n PHE 17 N 0.10 0.00 1.59 0.54 -0.00 -1.26 -4.68 117.46 113.74 1e9j n PHE 17 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.62 1e9j n PHE 17 Cb 0.40 -0.07 0.66 0.00 -0.00 0.00 0.00 39.48 40.47 1e9j n PHE 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1e9j n PHE 18 N -3.39 0.00 -1.43 -5.13 3.72 -1.25 -4.83 117.46 105.16 1e9j n PHE 18 Ca -0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.90 1e9j n PHE 18 Cb 0.08 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.52 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1e9j n SER 19 N -0.94 1.31 -4.97 4.37 3.41 -1.03 -4.56 113.62 111.21 1e9j n SER 19 Ca 0.17 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.85 1e9j n SER 19 Cb 0.08 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 62.88 1e9j n SER 19 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1e9j s GLN 20 N 7.26 3.37 -0.01 4.33 1.11 1.39 -4.85 119.66 132.26 1e9j s GLN 20 Ca 1.18 -0.81 -0.15 0.00 0.01 0.00 0.00 55.36 55.59 1e9j s GLN 20 Cb -1.03 -2.87 -0.18 0.00 -1.01 0.00 0.00 33.01 27.92 1e9j s GLN 20 CO 0.50 0.36 1.03 -0.35 0.01 0.00 0.00 175.29 176.83 1e9j n PRO 21 N -1.45 0.00 0.00 2.91 -0.04 -1.26 0.20 135.00 135.36 1e9j n PRO 21 Ca -0.07 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1e9j n PRO 21 Cb 0.57 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1e9j n GLY 22 N 4.24 1.99 3.14 0.55 0.00 -1.26 -5.10 105.19 108.74 1e9j n GLY 22 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1e9j n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s ALA 23 N -2.00 -2.86 -0.74 4.61 0.00 0.54 -5.00 121.76 116.30 1e9j s ALA 23 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1e9j s ALA 23 Cb 0.00 -2.66 0.17 0.00 0.00 0.00 0.00 23.12 20.63 1e9j s ALA 23 CO 0.00 -1.99 0.82 -0.35 0.00 0.00 0.00 175.76 174.24 1e9j n PRO 24 N 5.10 1.74 0.00 0.00 -0.04 -1.26 0.41 135.00 140.95 1e9j n PRO 24 Ca 0.07 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1e9j n PRO 24 Cb 0.56 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1e9j n PRO 24 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1e9j n ILE 25 N 0.13 0.00 -2.58 0.52 2.08 -1.25 0.22 119.36 118.49 1e9j n ILE 25 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1e9j n ILE 25 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1e9j n ILE 25 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1e9j n LEU 26 N 0.00 0.00 0.00 1.39 4.77 -1.26 0.42 117.00 122.32 1e9j n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e9j n LEU 26 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e9j n LEU 26 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.73 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 7.27 -1.26 -4.34 117.38 122.28 1e9j n GLN 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1e9j n GLN 27 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e9j s MET 29 N 0.00 0.36 0.00 0.00 1.75 1.23 -4.83 119.30 117.81 1e9j s MET 29 Ca 0.00 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 1e9j s MET 29 Cb 0.00 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.81 1e9j s MET 29 CO 0.00 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 1e9j n GLY 30 N 1.69 -0.83 0.00 2.11 0.00 -1.26 -3.11 105.19 103.79 1e9j n GLY 30 Ca -0.22 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j n PHE 33 N -0.16 -0.52 0.00 0.00 1.16 -1.26 -4.87 117.46 111.81 1e9j n PHE 33 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1e9j n PHE 33 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1e9j n PHE 33 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1e9j n SER 34 N -1.26 0.00 -2.33 5.98 7.64 -1.26 -4.95 113.62 117.44 1e9j n SER 34 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1e9j n SER 34 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1e9j n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1e9j n ARG 35 N 0.00 1.15 0.00 1.43 1.85 -1.26 -5.10 116.66 114.74 1e9j n ARG 35 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1e9j n ARG 35 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1e9j n ALA 36 N -3.00 0.00 -1.60 2.89 0.00 -1.26 -4.95 120.51 112.59 1e9j n ALA 36 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1e9j n ALA 36 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1e9j n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1e9j n TYR 37 N -0.05 0.83 -2.72 0.00 4.01 -1.26 -4.92 117.16 113.05 1e9j n TYR 37 Ca 0.00 0.48 -0.42 0.00 -0.16 0.00 0.00 57.90 57.79 1e9j n TYR 37 Cb 0.00 -2.16 -0.03 0.00 -0.31 0.00 0.00 39.34 36.85 1e9j n TYR 37 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1e9j s PRO 38 N -2.43 4.32 -0.30 -0.72 0.04 -1.26 -5.01 135.00 129.64 1e9j s PRO 38 Ca 0.70 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1e9j s PRO 38 Cb -0.47 -3.60 0.19 0.00 0.04 0.00 0.00 34.50 30.67 1e9j s PRO 38 CO 0.51 -0.47 0.69 -0.08 0.04 0.00 0.00 177.00 177.70 1e9j s THR 39 N 2.60 -0.86 -0.04 1.26 -1.32 -1.26 -5.14 115.64 110.88 1e9j s THR 39 Ca 0.44 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.62 1e9j s THR 39 Cb -0.16 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 1e9j s THR 39 CO 0.11 0.00 1.45 -2.16 -2.21 0.00 0.00 174.62 171.81 1e9j s PRO 40 N 2.88 4.24 -0.33 7.08 0.04 -1.26 -4.93 135.00 142.72 1e9j s PRO 40 Ca 0.16 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1e9j s PRO 40 Cb -0.14 -3.71 0.45 0.00 0.04 0.00 0.00 34.50 31.14 1e9j s PRO 40 CO -0.19 -0.67 1.16 -0.11 0.04 0.00 0.00 177.00 177.23 1e9j n LEU 41 N 6.05 4.72 0.00 -3.56 -0.00 -1.26 -5.02 117.00 117.93 1e9j n LEU 41 Ca 0.14 -4.81 0.00 0.00 -0.00 0.00 0.00 56.01 51.35 1e9j n LEU 41 Cb 0.43 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1e9j n LEU 41 CO 0.59 2.10 0.00 0.54 -0.00 0.00 0.00 177.39 180.63 1e9j n ARG 42 N -0.64 0.00 -3.77 1.96 5.12 -1.26 -5.18 116.66 112.89 1e9j n ARG 42 Ca 0.41 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.20 1e9j n ARG 42 Cb 0.88 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 32.09 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1e9j s SER 43 N 0.00 -0.19 0.00 0.55 0.01 -1.26 -5.06 113.70 107.75 1e9j s SER 43 Ca 0.00 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1e9j s SER 43 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1e9j s SER 43 CO 0.00 -0.41 0.00 1.17 0.41 0.00 0.00 173.24 174.41 1e9j n LYS 44 N 1.44 0.00 -2.74 12.44 0.00 -1.26 -5.06 118.16 122.97 1e9j n LYS 44 Ca -0.21 0.31 -0.04 0.00 0.00 0.00 0.00 58.31 58.37 1e9j n LYS 44 Cb 0.56 -0.61 0.06 0.00 0.00 0.00 0.00 35.03 35.04 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1e9j n LYS 45 N 0.04 1.43 -0.87 1.64 4.01 -1.26 -5.13 118.16 118.02 1e9j n LYS 45 Ca 0.00 -3.00 -0.34 0.00 -0.51 0.00 0.00 58.31 54.47 1e9j n LYS 45 Cb 0.00 -1.10 0.11 0.00 -0.51 0.00 0.00 35.03 33.53 1e9j n LYS 45 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1e9j n THR 46 N -0.52 0.20 0.00 -0.18 -2.24 -1.26 -3.32 114.28 106.97 1e9j n THR 46 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1e9j n THR 46 Cb 0.82 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1e9j n MET 47 N -1.12 0.00 -1.52 -0.78 0.00 -1.26 -4.75 117.12 107.69 1e9j n MET 47 Ca 0.06 0.00 -0.44 0.00 -0.00 0.00 0.00 57.70 57.32 1e9j n MET 47 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.70 1e9j n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1e9j n LEU 48 N 0.00 2.40 -4.76 -0.89 4.77 -1.21 -4.90 117.00 112.40 1e9j n LEU 48 Ca 0.00 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 1e9j n LEU 48 Cb 0.00 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 39.65 1e9j n LEU 48 CO 0.00 -0.91 0.86 -0.69 -1.33 0.00 0.00 177.39 175.32 1e9j s VAL 49 N 8.91 3.22 0.00 4.08 1.01 -1.26 -4.88 120.40 131.48 1e9j s VAL 49 Ca 1.06 1.21 0.00 0.00 0.00 0.00 0.00 61.98 64.26 1e9j s VAL 49 Cb -0.56 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1e9j s VAL 49 CO 0.39 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.78 1e9j n GLN 50 N 1.14 0.00 -3.90 2.72 6.02 -1.26 -5.02 117.38 117.07 1e9j n GLN 50 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 1e9j n GLN 50 Cb 0.44 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.71 1e9j n GLN 50 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1e9j n LYS 51 N -0.14 -1.43 0.00 -1.09 5.02 -1.26 -4.60 118.16 114.66 1e9j n LYS 51 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1e9j n LYS 51 Cb 0.00 -3.75 0.00 0.00 -0.02 0.00 0.00 35.03 31.26 1e9j n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1e9j n ASN 52 N -2.63 0.00 -1.95 4.39 3.02 -1.26 -4.66 115.26 112.17 1e9j n ASN 52 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1e9j n ASN 52 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1e9j n ASN 52 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1e9j n VAL 53 N 0.00 0.00 0.01 2.41 0.24 -1.26 -5.05 118.33 114.68 1e9j n VAL 53 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1e9j n VAL 53 Cb 0.00 -1.61 -0.00 0.00 -1.47 0.00 0.00 33.84 30.75 1e9j n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1e9j h THR 54 N -0.43 0.00 -4.14 3.34 2.02 -1.93 -3.47 112.91 108.30 1e9j h THR 54 Ca 0.00 -0.15 -0.69 0.00 0.77 0.00 0.00 66.41 66.34 1e9j h THR 54 Cb 0.00 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 66.16 1e9j h THR 54 CO 0.00 0.00 -0.88 -0.94 0.37 0.00 0.00 175.52 174.07 1e9j s SER 55 N -3.25 3.21 0.00 4.18 1.04 -1.26 -4.93 113.70 112.69 1e9j s SER 55 Ca -0.01 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1e9j s SER 55 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1e9j s SER 55 CO 0.02 0.22 0.00 1.21 0.98 0.00 0.00 173.24 175.68 1e9j n GLU 56 N 1.42 0.00 -2.25 4.02 4.07 -1.26 -5.05 120.64 121.59 1e9j n GLU 56 Ca -0.17 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 56.88 1e9j n GLU 56 Cb 0.52 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.93 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1e9j n SER 57 N 0.00 -2.50 -1.33 4.31 7.64 -1.26 -4.88 113.62 115.60 1e9j n SER 57 Ca 0.00 -0.19 0.18 0.00 1.01 0.00 0.00 58.87 59.87 1e9j n SER 57 Cb 0.00 -1.82 -0.05 0.00 -1.01 0.00 0.00 64.21 61.33 1e9j n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9j n THR 58 N -1.93 0.00 0.00 0.44 -2.24 -1.26 -4.98 114.28 104.32 1e9j n THR 58 Ca -0.06 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1e9j n THR 58 Cb 0.54 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s VAL 61 N 1.60 5.28 0.00 0.00 0.11 -1.19 -4.76 120.40 121.44 1e9j s VAL 61 Ca 0.04 -3.06 0.00 0.00 -2.93 0.00 0.00 61.98 56.02 1e9j s VAL 61 Cb -0.24 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 1e9j s VAL 61 CO 0.06 -1.07 0.00 0.00 -3.33 0.00 0.00 175.10 170.76 1e9j n ALA 62 N 3.24 -0.14 -0.30 1.54 0.00 -1.25 -4.43 120.51 119.17 1e9j n ALA 62 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1e9j n ALA 62 Cb 0.42 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.17 1e9j n ALA 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1e9j h LYS 63 N 0.41 0.84 -4.97 0.00 3.64 0.89 -3.43 116.57 113.95 1e9j h LYS 63 Ca 0.00 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.86 1e9j h LYS 63 Cb 0.00 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 31.49 1e9j h LYS 63 CO 0.00 0.56 -0.55 -1.12 -2.27 0.00 0.00 179.45 176.07 1e9j s SER 64 N -5.81 2.04 0.01 4.20 0.01 -0.82 -4.93 113.70 108.41 1e9j s SER 64 Ca -0.11 -1.59 -0.28 0.00 1.31 0.00 0.00 55.95 55.28 1e9j s SER 64 Cb 0.22 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.90 1e9j s SER 64 CO 0.80 -0.88 0.65 -0.72 0.41 0.00 0.00 173.24 173.50 1e9j s TYR 65 N -3.43 -0.61 -0.16 2.43 -0.85 -1.25 -3.24 117.35 110.23 1e9j s TYR 65 Ca 0.32 0.89 0.14 0.00 -0.52 0.00 0.00 57.07 57.90 1e9j s TYR 65 Cb 0.04 0.44 0.39 0.00 0.38 0.00 0.00 41.96 43.21 1e9j s TYR 65 CO 0.17 -0.67 1.19 0.09 -1.52 0.00 0.00 175.55 174.81 1e9j n ASN 66 N 0.56 1.64 0.00 -0.18 4.13 0.10 -4.78 115.26 116.73 1e9j n ASN 66 Ca -0.18 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 52.65 1e9j n ASN 66 Cb 0.59 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1e9j n ARG 67 N -0.89 0.00 -1.90 3.52 1.85 -1.21 -3.81 116.66 114.23 1e9j n ARG 67 Ca 0.16 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.67 1e9j n ARG 67 Cb 0.75 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.20 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1e9j n VAL 68 N 0.00 3.19 0.00 8.89 0.24 -1.26 -4.70 118.33 124.69 1e9j n VAL 68 Ca 0.00 -4.06 0.00 0.00 -2.04 0.00 0.00 64.34 58.24 1e9j n VAL 68 Cb 0.00 -1.21 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 1e9j n VAL 68 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1e9j n THR 69 N -0.65 0.00 -2.95 3.34 -1.04 -1.19 -4.82 114.28 106.96 1e9j n THR 69 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1e9j n THR 69 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1e9j n THR 69 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1e9j n VAL 70 N 0.00 0.00 -0.86 12.58 0.31 1.01 -4.71 118.33 126.67 1e9j n VAL 70 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 1e9j n VAL 70 Cb 0.00 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 1e9j n VAL 70 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1e9j n MET 71 N -0.13 0.00 -1.27 5.55 0.00 -1.26 0.17 117.12 120.18 1e9j n MET 71 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 1e9j n MET 71 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 33.22 32.54 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1e9j n GLY 72 N 1.39 0.94 2.00 3.17 0.00 -1.26 0.07 105.19 111.49 1e9j n GLY 72 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1e9j n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1e9j n GLY 73 N -0.17 0.56 3.65 -0.02 0.00 0.46 -4.97 105.19 104.69 1e9j n GLY 73 Ca -0.10 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1e9j n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1e9j s PHE 74 N -2.96 2.23 -0.48 1.61 0.08 0.28 -4.55 117.98 114.19 1e9j s PHE 74 Ca 0.12 0.52 -0.11 0.00 0.12 0.00 0.00 56.93 57.58 1e9j s PHE 74 Cb -0.05 -3.85 0.12 0.00 -0.57 0.00 0.00 43.02 38.67 1e9j s PHE 74 CO 0.15 -2.98 0.37 0.15 -0.10 0.00 0.00 175.22 172.81 1e9j s LYS 75 N 4.16 2.58 -0.02 0.44 1.02 -1.26 0.33 119.74 126.99 1e9j s LYS 75 Ca 0.68 -1.74 0.08 0.00 0.02 0.00 0.00 55.97 55.01 1e9j s LYS 75 Cb -0.27 -4.00 0.27 0.00 -0.52 0.00 0.00 37.83 33.31 1e9j s LYS 75 CO 0.26 -1.21 1.15 1.33 -0.92 0.00 0.00 175.35 175.96 1e9j n VAL 76 N 4.98 0.55 -2.87 3.17 0.24 -1.26 -4.82 118.33 118.32 1e9j n VAL 76 Ca -0.09 -0.42 -0.19 0.00 -2.04 0.00 0.00 64.34 61.60 1e9j n VAL 76 Cb 0.41 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1e9j n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1e9j n GLU 77 N 0.31 -1.12 -0.41 7.34 4.71 -1.26 -0.64 120.64 129.57 1e9j n GLU 77 Ca 0.10 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1e9j n GLU 77 Cb 0.33 -2.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.13 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1e9j n ASN 78 N -0.99 0.00 -2.54 1.62 5.15 -1.25 0.03 115.26 117.28 1e9j n ASN 78 Ca 0.05 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1e9j n ASN 78 Cb 0.26 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.46 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1e9j n HIS 79 N -0.10 0.57 0.05 1.20 8.25 0.19 -0.51 115.22 124.87 1e9j n HIS 79 Ca 0.00 0.60 0.02 0.00 -0.26 0.00 0.00 57.72 58.08 1e9j n HIS 79 Cb 0.00 -1.18 -0.03 0.00 1.12 0.00 0.00 29.99 29.90 1e9j n HIS 79 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1e9j n THR 80 N 1.32 0.00 -3.60 1.59 -2.24 -1.20 -4.77 114.28 105.39 1e9j n THR 80 Ca 0.13 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 1e9j n THR 80 Cb 0.02 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 1e9j n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s ALA 81 N -1.99 -1.80 -0.04 6.98 0.00 -1.24 -4.85 121.76 118.83 1e9j s ALA 81 Ca -0.01 1.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 1e9j s ALA 81 Cb 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1e9j s ALA 81 CO 0.15 -0.34 0.02 0.00 0.00 0.00 0.00 175.76 175.60 1e9j s HIS 83 N 1.71 3.18 0.18 0.00 -3.43 -1.26 -4.69 115.29 110.97 1e9j s HIS 83 Ca -0.00 -1.99 -0.30 0.00 -0.80 0.00 0.00 55.06 51.97 1e9j s HIS 83 Cb -0.13 -2.00 -0.08 0.00 -1.43 0.00 0.00 32.58 28.95 1e9j s HIS 83 CO -0.03 -0.82 1.12 0.00 -2.00 0.00 0.00 174.74 173.00 1e9j n SER 85 N 2.43 0.12 -4.75 0.00 2.88 0.23 -4.75 113.62 109.79 1e9j n SER 85 Ca 0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 1e9j n SER 85 Cb 0.46 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1e9j n SER 85 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1e9j s THR 86 N -0.66 4.03 -0.14 2.46 -1.32 -1.26 -0.03 115.64 118.71 1e9j s THR 86 Ca 0.00 2.02 -0.04 0.00 -1.21 0.00 0.00 61.69 62.46 1e9j s THR 86 Cb 0.00 -4.29 -0.03 0.00 -1.51 0.00 0.00 72.50 66.67 1e9j s THR 86 CO 0.00 0.48 0.02 0.00 -2.21 0.00 0.00 174.62 172.90 1e9j n TYR 88 N 2.96 -3.12 -2.04 0.00 4.19 -1.26 -4.90 117.16 113.00 1e9j n TYR 88 Ca -0.18 1.26 -0.06 0.00 3.31 0.00 0.00 57.90 62.23 1e9j n TYR 88 Cb 0.53 -3.81 -0.06 0.00 0.49 0.00 0.00 39.34 36.49 1e9j n TYR 88 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1e9j n TYR 89 N -0.31 -0.00 -3.38 2.98 9.36 -1.26 -4.92 117.16 119.63 1e9j n TYR 89 Ca 0.11 -0.50 -0.06 0.00 3.32 0.00 0.00 57.90 60.77 1e9j n TYR 89 Cb 0.40 0.45 0.01 0.00 -0.63 0.00 0.00 39.34 39.57 1e9j n TYR 89 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1e9j n HIS 90 N 0.04 -1.85 0.02 2.98 -0.00 -1.26 -5.09 115.22 110.05 1e9j n HIS 90 Ca -0.26 -0.54 0.00 0.00 0.46 0.00 0.00 57.72 57.38 1e9j n HIS 90 Cb 0.73 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 1e9j n HIS 90 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1e9j n LYS 91 N -0.99 0.00 0.00 1.57 2.85 -1.26 -5.28 118.16 115.05 1e9j n LYS 91 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1e9j n LYS 91 Cb 0.15 -0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.33 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78