#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j n PRO 2 N 0.00 -0.72 0.13 0.00 -0.02 -1.26 -4.95 135.00 128.18 1e9j n PRO 2 Ca 0.00 -0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1e9j n PRO 2 Cb 0.00 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1e9j n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1e9j h ASP 3 N -1.69 -0.34 -3.50 2.55 1.82 -2.15 -3.50 116.42 109.60 1e9j h ASP 3 Ca -0.47 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.01 1e9j h ASP 3 Cb 1.31 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1e9j h ASP 3 CO 0.35 0.13 -0.31 0.52 -1.61 0.00 0.00 179.24 178.32 1e9j n VAL 4 N -5.06 -5.75 -0.90 2.25 0.31 -1.26 -5.00 118.33 102.93 1e9j n VAL 4 Ca -0.08 1.08 -0.30 0.00 -0.01 0.00 0.00 64.34 65.04 1e9j n VAL 4 Cb 0.25 -3.46 0.18 0.00 -0.91 0.00 0.00 33.84 29.89 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j s GLN 5 N -1.99 0.58 0.00 5.55 -2.07 -1.26 -5.06 119.66 115.41 1e9j s GLN 5 Ca 0.00 1.00 0.00 0.00 -1.82 0.00 0.00 55.36 54.54 1e9j s GLN 5 Cb 0.00 -1.72 0.00 0.00 -1.09 0.00 0.00 33.01 30.20 1e9j s GLN 5 CO 0.00 -2.76 0.00 -0.25 -1.32 0.00 0.00 175.29 170.96 1e9j n ASP 6 N -4.26 0.00 -3.63 12.60 9.92 -1.26 -5.08 116.55 124.83 1e9j n ASP 6 Ca 0.07 -0.06 -0.34 0.00 -0.53 0.00 0.00 54.79 53.93 1e9j n ASP 6 Cb 0.54 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.98 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e9j n PRO 8 N 0.91 0.27 -1.86 0.00 -0.04 -1.26 -0.17 135.00 132.85 1e9j n PRO 8 Ca 0.29 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1e9j n PRO 8 Cb 0.37 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1e9j n GLU 9 N 7.13 -4.05 -1.61 0.54 2.13 -1.17 -4.50 120.64 119.11 1e9j n GLU 9 Ca 0.58 2.91 -0.58 0.00 0.66 0.00 0.00 57.16 60.73 1e9j n GLU 9 Cb 0.28 -3.32 -0.07 0.00 0.27 0.00 0.00 31.44 28.60 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j n THR 11 N 2.80 0.00 -4.35 0.00 5.66 -1.23 -4.76 114.28 112.41 1e9j n THR 11 Ca 0.22 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.96 1e9j n THR 11 Cb 0.11 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.76 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 2.32 -0.75 1.09 1.02 -1.26 0.18 118.68 121.28 1e9j s LEU 12 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 54.13 53.44 1e9j s LEU 12 Cb 0.00 -1.06 0.34 0.00 0.02 0.00 0.00 46.19 45.49 1e9j s LEU 12 CO 0.00 0.12 1.38 0.00 0.02 0.00 0.00 176.35 177.86 1e9j n GLN 13 N 0.91 4.01 0.00 1.70 10.64 -1.25 -4.18 117.38 129.21 1e9j n GLN 13 Ca -0.18 -4.64 0.00 0.00 -1.83 0.00 0.00 57.00 50.35 1e9j n GLN 13 Cb 0.54 -2.33 0.00 0.00 -0.86 0.00 0.00 30.24 27.59 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1e9j n GLU 14 N -0.23 0.00 -1.46 2.61 2.13 -1.26 -4.30 120.64 118.13 1e9j n GLU 14 Ca 0.40 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.75 1e9j n GLU 14 Cb 0.36 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.98 1e9j n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1e9j n ASN 15 N 0.00 1.54 -0.32 4.31 2.85 0.76 -4.73 115.26 119.67 1e9j n ASN 15 Ca 0.00 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1e9j n ASN 15 Cb 0.00 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 39.82 1e9j n ASN 15 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1e9j n PRO 16 N 8.37 0.81 0.04 1.20 -0.04 -1.26 -1.45 135.00 142.67 1e9j n PRO 16 Ca 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1e9j n PRO 16 Cb 0.21 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.13 -0.34 0.30 0.54 7.35 -1.26 -4.74 117.46 119.17 1e9j n PHE 17 Ca 0.00 0.06 0.17 0.00 -0.76 0.00 0.00 57.45 56.92 1e9j n PHE 17 Cb 0.13 0.11 0.70 0.00 0.35 0.00 0.00 39.48 40.77 1e9j n PHE 17 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1e9j h PHE 18 N 0.00 0.00 -0.53 -5.13 3.04 -1.88 -3.44 116.94 108.99 1e9j h PHE 18 Ca 0.00 0.00 -0.61 0.00 3.98 0.00 0.00 57.97 61.34 1e9j h PHE 18 Cb 0.29 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 1e9j h PHE 18 CO 0.00 0.00 1.54 -1.13 -2.02 0.00 0.00 178.31 176.70 1e9j n SER 19 N -2.98 1.21 -4.45 0.41 3.41 -0.53 -4.51 113.62 106.18 1e9j n SER 19 Ca 0.01 0.27 -0.23 0.00 -0.26 0.00 0.00 58.87 58.66 1e9j n SER 19 Cb 0.28 -1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.02 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 7.36 1.60 0.00 4.33 -1.52 0.56 -4.93 119.66 127.06 1e9j s GLN 20 Ca 1.19 -1.75 -0.13 0.00 -1.95 0.00 0.00 55.36 52.72 1e9j s GLN 20 Cb -1.05 -1.53 -0.16 0.00 -0.22 0.00 0.00 33.01 30.04 1e9j s GLN 20 CO 0.50 0.24 1.22 -0.35 -0.25 0.00 0.00 175.29 176.65 1e9j n PRO 21 N -0.58 0.00 0.00 2.91 -0.04 -1.26 0.04 135.00 136.07 1e9j n PRO 21 Ca -0.06 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1e9j n PRO 21 Cb 0.61 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 4.39 -0.90 2.89 0.55 0.00 -1.26 -5.10 105.19 105.76 1e9j n GLY 22 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.07 -1.13 -0.95 4.61 0.00 0.11 -5.08 121.76 119.25 1e9j s ALA 23 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 1e9j s ALA 23 Cb 0.00 -2.05 0.25 0.00 0.00 0.00 0.00 23.12 21.32 1e9j s ALA 23 CO 0.00 -1.75 0.97 -0.35 0.00 0.00 0.00 175.76 174.63 1e9j n PRO 24 N 5.35 3.14 -0.23 0.00 -0.04 -1.26 0.21 135.00 142.16 1e9j n PRO 24 Ca 0.00 -4.51 -0.05 0.00 -0.04 0.00 0.00 63.50 58.90 1e9j n PRO 24 Cb 0.49 -2.44 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.05 0.00 -2.64 0.52 2.08 -1.26 -4.39 119.36 115.72 1e9j n ILE 25 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1e9j n ILE 25 Cb 0.37 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 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 0.27 117.00 122.17 1e9j n LEU 26 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1e9j n LEU 26 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1e9j n LEU 26 CO 0.07 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.80 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 7.27 -1.26 -4.05 117.38 122.56 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 n MET 29 N 0.66 0.00 -0.45 0.00 1.56 0.46 -4.32 117.12 115.03 1e9j n MET 29 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1e9j n MET 29 Cb 0.00 0.00 0.16 0.00 2.15 0.00 0.00 33.22 35.53 1e9j n MET 29 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1e9j n GLY 30 N 3.07 -2.14 3.45 -5.12 0.00 -1.25 -4.66 105.19 98.54 1e9j n GLY 30 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.28 -0.72 0.00 0.00 1.16 -1.26 -4.95 117.46 108.41 1e9j n PHE 33 Ca 0.12 -0.75 0.00 0.00 -1.87 0.00 0.00 57.45 54.94 1e9j n PHE 33 Cb 0.40 0.36 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1e9j n SER 34 N -0.99 -0.08 -2.64 5.98 3.41 -1.26 -5.08 113.62 112.96 1e9j n SER 34 Ca 0.01 0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 1e9j n SER 34 Cb 0.45 0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.64 1e9j n SER 34 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1e9j n ARG 35 N -2.21 -0.63 -3.99 4.33 1.74 -1.26 -4.93 116.66 109.71 1e9j n ARG 35 Ca 0.00 0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 57.36 1e9j n ARG 35 Cb 0.00 -0.80 -0.10 0.00 -1.02 0.00 0.00 32.46 30.53 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e9j s ALA 36 N -1.75 0.15 -0.24 7.54 0.00 -1.26 -5.15 121.76 121.05 1e9j s ALA 36 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 1e9j s ALA 36 Cb -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1e9j s ALA 36 CO 0.34 -0.24 0.10 -0.47 0.00 0.00 0.00 175.76 175.49 1e9j s TYR 37 N -2.24 3.17 0.97 0.00 5.04 -1.26 -5.10 117.35 117.93 1e9j s TYR 37 Ca -0.09 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.24 1e9j s TYR 37 Cb -0.04 -2.23 0.23 0.00 0.35 0.00 0.00 41.96 40.26 1e9j s TYR 37 CO -0.04 -0.17 1.27 -0.35 -1.34 0.00 0.00 175.55 174.93 1e9j n PRO 38 N 4.59 -1.42 -1.77 4.97 -0.04 -1.26 -4.99 135.00 135.06 1e9j n PRO 38 Ca -0.16 -1.97 -0.41 0.00 -0.04 0.00 0.00 63.50 60.92 1e9j n PRO 38 Cb 0.52 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1e9j n PRO 38 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1e9j s THR 39 N -3.74 2.02 -0.99 0.52 2.01 -1.26 -4.81 115.64 109.39 1e9j s THR 39 Ca 0.73 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.49 1e9j s THR 39 Cb -0.02 -3.01 -0.21 0.00 0.01 0.00 0.00 72.50 69.26 1e9j s THR 39 CO 0.51 0.00 2.12 -0.81 -0.69 0.00 0.00 174.62 175.76 1e9j n PRO 40 N 1.38 0.16 -3.32 4.92 -0.04 -1.26 -4.73 135.00 132.11 1e9j n PRO 40 Ca 0.05 -1.48 0.02 0.00 -0.04 0.00 0.00 63.50 62.05 1e9j n PRO 40 Cb 0.38 -3.76 -0.04 0.00 -0.04 0.00 0.00 33.50 30.04 1e9j n PRO 40 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1e9j s LEU 41 N 16.20 -0.41 0.29 1.53 1.98 -1.26 -5.15 118.68 131.86 1e9j s LEU 41 Ca 0.80 0.55 0.00 0.00 -2.89 0.00 0.00 54.13 52.60 1e9j s LEU 41 Cb -0.07 1.46 0.00 0.00 0.66 0.00 0.00 46.19 48.24 1e9j s LEU 41 CO 0.17 -0.08 0.00 -1.14 -1.89 0.00 0.00 176.35 173.41 1e9j n ARG 42 N 4.85 -2.16 -0.92 1.98 0.63 -1.26 -5.00 116.66 114.78 1e9j n ARG 42 Ca -0.08 1.65 -0.04 0.00 -0.92 0.00 0.00 57.85 58.46 1e9j n ARG 42 Cb 0.54 -1.99 -0.05 0.00 0.45 0.00 0.00 32.46 31.41 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1e9j n SER 43 N -1.66 -0.60 -4.30 6.15 7.64 -1.26 -5.04 113.62 114.55 1e9j n SER 43 Ca 0.00 -1.78 -0.45 0.00 1.01 0.00 0.00 58.87 57.65 1e9j n SER 43 Cb 0.15 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1e9j n LYS 44 N 0.04 3.65 -3.19 1.43 4.01 -1.26 -5.01 118.16 117.82 1e9j n LYS 44 Ca -0.18 -4.47 -0.41 0.00 -0.51 0.00 0.00 58.31 52.73 1e9j n LYS 44 Cb 0.69 -2.55 -0.07 0.00 -0.51 0.00 0.00 35.03 32.59 1e9j n LYS 44 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1e9j s LYS 45 N -1.46 3.75 -0.46 1.97 -0.14 -1.26 -4.55 119.74 117.59 1e9j s LYS 45 Ca 0.31 0.03 -0.28 0.00 -1.36 0.00 0.00 55.97 54.67 1e9j s LYS 45 Cb -0.08 -3.77 0.04 0.00 -1.68 0.00 0.00 37.83 32.33 1e9j s LYS 45 CO -0.06 -0.61 0.64 2.41 -0.76 0.00 0.00 175.35 176.97 1e9j n THR 46 N 5.42 -7.08 0.00 2.17 -1.04 -1.26 -4.90 114.28 107.58 1e9j n THR 46 Ca -0.03 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1e9j n THR 46 Cb 0.49 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 63.81 1e9j n THR 46 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1e9j n MET 47 N -0.33 0.00 -2.54 -2.82 2.81 -1.26 -4.55 117.12 108.43 1e9j n MET 47 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1e9j n MET 47 Cb 0.59 -0.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 1e9j n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1e9j n LEU 48 N 0.00 0.00 -0.81 4.03 4.77 -1.26 -4.67 117.00 119.06 1e9j n LEU 48 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1e9j n LEU 48 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1e9j n LEU 48 CO 0.00 0.00 0.50 0.52 -1.33 0.00 0.00 177.39 177.08 1e9j n VAL 49 N -0.59 0.74 -1.45 4.08 0.31 -1.26 -4.83 118.33 115.32 1e9j n VAL 49 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1e9j n VAL 49 Cb 0.00 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1e9j n VAL 49 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1e9j n GLN 50 N 0.21 3.63 -1.84 5.55 7.27 -1.26 -5.04 117.38 125.89 1e9j n GLN 50 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1e9j n GLN 50 Cb 0.46 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.11 1e9j n GLN 50 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1e9j n LYS 51 N 0.00 -5.01 -0.84 3.69 5.02 -1.26 -4.81 118.16 114.95 1e9j n LYS 51 Ca 0.00 3.66 -0.29 0.00 -2.02 0.00 0.00 58.31 59.66 1e9j n LYS 51 Cb 0.00 -4.09 0.02 0.00 -0.02 0.00 0.00 35.03 30.94 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 -0.02 -3.95 -2.16 4.39 4.13 -1.26 -4.37 115.26 112.02 1e9j n ASN 52 Ca 0.00 0.28 -0.31 0.00 1.68 0.00 0.00 54.58 56.23 1e9j n ASN 52 Cb 0.00 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 37.58 1e9j n ASN 52 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1e9j n VAL 53 N -1.63 0.00 -4.33 2.41 3.14 -1.26 -4.91 118.33 111.74 1e9j n VAL 53 Ca 0.01 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.13 1e9j n VAL 53 Cb 0.40 -0.23 -0.13 0.00 -1.06 0.00 0.00 33.84 32.83 1e9j n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1e9j s THR 54 N 1.48 1.95 -0.30 1.55 2.01 -1.26 -5.13 115.64 115.94 1e9j s THR 54 Ca 0.49 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.66 1e9j s THR 54 Cb -0.69 -1.75 0.21 0.00 0.01 0.00 0.00 72.50 70.28 1e9j s THR 54 CO 0.37 -0.00 1.31 -0.44 -0.69 0.00 0.00 174.62 175.17 1e9j s SER 55 N -1.99 -0.02 0.00 3.53 0.01 -1.26 -5.09 113.70 108.89 1e9j s SER 55 Ca 0.10 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1e9j s SER 55 Cb -0.10 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.14 1e9j s SER 55 CO 0.05 -0.00 0.00 -1.84 0.41 0.00 0.00 173.24 171.86 1e9j n GLU 56 N 4.02 0.00 0.00 12.44 -0.00 -1.26 -5.11 120.64 130.73 1e9j n GLU 56 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.06 1e9j n GLU 56 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.00 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1e9j n SER 57 N 0.00 0.00 -4.75 -1.84 7.64 -1.26 -4.74 113.62 108.67 1e9j n SER 57 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1e9j n SER 57 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1e9j n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1e9j s THR 58 N 0.00 2.70 -0.29 0.44 -4.23 -1.26 -4.69 115.64 108.31 1e9j s THR 58 Ca 0.00 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1e9j s THR 58 Cb 0.00 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.98 1e9j s THR 58 CO 0.00 -0.14 0.51 0.00 -0.54 0.00 0.00 174.62 174.45 1e9j n VAL 61 N 0.29 1.43 -2.62 0.00 0.24 -1.26 -4.32 118.33 112.09 1e9j n VAL 61 Ca 0.38 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1e9j n VAL 61 Cb 0.58 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n ALA 62 N 5.03 -1.00 -0.20 2.33 0.00 -1.26 -4.67 120.51 120.74 1e9j n ALA 62 Ca 0.30 0.00 0.27 0.00 0.00 0.00 0.00 53.44 54.01 1e9j n ALA 62 Cb 0.13 -0.44 0.67 0.00 0.00 0.00 0.00 19.45 19.81 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 4.63 0.10 -2.55 0.00 1.63 6.53 -3.36 116.57 123.56 1e9j h LYS 63 Ca 0.00 -0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1e9j h LYS 63 Cb 0.00 -0.02 -0.32 0.00 -0.60 0.00 0.00 32.23 31.28 1e9j h LYS 63 CO 0.00 0.07 -0.53 -1.12 -3.45 0.00 0.00 179.45 174.42 1e9j s SER 64 N -5.60 0.53 0.12 4.20 0.01 0.11 -4.86 113.70 108.21 1e9j s SER 64 Ca -0.06 0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.58 1e9j s SER 64 Cb 0.22 0.77 -0.04 0.00 0.21 0.00 0.00 66.02 67.18 1e9j s SER 64 CO 0.78 -0.27 0.18 -0.72 0.41 0.00 0.00 173.24 173.62 1e9j s TYR 65 N 2.44 3.33 -0.14 2.43 -0.85 -1.25 0.36 117.35 123.67 1e9j s TYR 65 Ca 0.05 0.09 0.14 0.00 -0.52 0.00 0.00 57.07 56.83 1e9j s TYR 65 Cb -0.14 -1.63 0.36 0.00 0.38 0.00 0.00 41.96 40.93 1e9j s TYR 65 CO -0.11 0.53 1.18 -1.71 -1.52 0.00 0.00 175.55 173.92 1e9j n ASN 66 N -0.12 1.64 0.00 -0.18 5.15 0.37 -4.77 115.26 117.35 1e9j n ASN 66 Ca -0.07 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 1e9j n ASN 66 Cb 0.53 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1e9j n ARG 67 N -0.88 0.00 -3.38 1.20 0.63 -1.24 -3.98 116.66 109.01 1e9j n ARG 67 Ca 0.15 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.81 1e9j n ARG 67 Cb 0.75 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.56 1e9j n ARG 67 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1e9j s VAL 68 N 0.00 0.26 -0.18 5.15 1.01 -1.26 -4.52 120.40 120.86 1e9j s VAL 68 Ca 0.00 -2.44 -0.28 0.00 0.00 0.00 0.00 61.98 59.26 1e9j s VAL 68 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1e9j s VAL 68 CO 0.00 -1.16 2.15 -0.89 0.00 0.00 0.00 175.10 175.20 1e9j s THR 69 N 0.26 3.04 0.13 3.92 2.01 -1.22 -3.84 115.64 119.94 1e9j s THR 69 Ca 0.30 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1e9j s THR 69 Cb -0.01 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1e9j s THR 69 CO -0.16 -0.03 0.07 1.33 -0.69 0.00 0.00 174.62 175.15 1e9j n VAL 70 N 7.33 0.00 0.00 3.82 0.24 0.40 -4.75 118.33 125.37 1e9j n VAL 70 Ca 0.28 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1e9j n VAL 70 Cb 0.44 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1e9j n MET 71 N -0.68 0.00 0.00 7.34 2.81 -1.26 0.23 117.12 125.57 1e9j n MET 71 Ca -0.02 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1e9j n MET 71 Cb 0.16 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 32.82 1e9j n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e9j n GLY 72 N 0.00 -0.38 0.00 3.03 0.00 -1.26 -4.46 105.19 102.13 1e9j n GLY 72 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.18 0.76 3.64 -0.02 0.00 0.41 -5.10 105.19 104.69 1e9j n GLY 73 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.80 2.21 -0.51 1.61 0.40 0.63 -4.63 117.98 116.89 1e9j s PHE 74 Ca 0.00 0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 56.74 1e9j s PHE 74 Cb 0.00 -3.93 0.09 0.00 0.51 0.00 0.00 43.02 39.69 1e9j s PHE 74 CO 0.00 -2.82 0.47 0.15 0.70 0.00 0.00 175.22 173.73 1e9j s LYS 75 N 4.46 3.00 -0.01 0.44 1.02 -1.26 0.15 119.74 127.54 1e9j s LYS 75 Ca 0.69 -1.44 0.05 0.00 0.02 0.00 0.00 55.97 55.29 1e9j s LYS 75 Cb -0.25 -4.20 0.14 0.00 -0.52 0.00 0.00 37.83 33.01 1e9j s LYS 75 CO 0.27 -1.19 1.07 1.33 -0.92 0.00 0.00 175.35 175.91 1e9j n VAL 76 N 5.28 0.26 -2.68 3.17 0.24 -1.25 -4.84 118.33 118.51 1e9j n VAL 76 Ca -0.12 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1e9j n VAL 76 Cb 0.42 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.02 -0.93 -0.34 7.34 -0.58 -1.26 -0.92 120.64 123.94 1e9j n GLU 77 Ca 0.05 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1e9j n GLU 77 Cb 0.18 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1e9j n ASN 78 N -0.41 0.00 -4.49 1.62 2.85 -1.26 -1.39 115.26 112.18 1e9j n ASN 78 Ca -0.01 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.03 1e9j n ASN 78 Cb 0.17 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.12 1e9j n ASN 78 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1e9j n HIS 79 N -0.05 1.28 0.45 1.20 8.25 -0.09 0.14 115.22 126.40 1e9j n HIS 79 Ca 0.00 0.25 0.11 0.00 -0.26 0.00 0.00 57.72 57.82 1e9j n HIS 79 Cb 0.00 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.58 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 7.55 0.22 -3.55 1.59 -2.24 1.15 -4.81 114.28 114.18 1e9j n THR 80 Ca 0.46 -0.31 -0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1e9j n THR 80 Cb 0.28 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.25 -1.55 -0.25 6.98 0.00 0.40 -4.81 121.76 119.27 1e9j s ALA 81 Ca 0.02 1.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 1e9j s ALA 81 Cb 0.14 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1e9j s ALA 81 CO 0.81 -0.95 -0.05 0.00 0.00 0.00 0.00 175.76 175.58 1e9j s HIS 83 N 1.34 -0.06 -0.30 0.00 3.76 -1.26 -4.70 115.29 114.06 1e9j s HIS 83 Ca 0.00 0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 54.99 1e9j s HIS 83 Cb -0.17 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.31 1e9j s HIS 83 CO -0.04 -0.15 0.85 0.00 -0.85 0.00 0.00 174.74 174.55 1e9j n SER 85 N 6.31 0.00 -3.21 0.00 3.41 -0.93 -4.44 113.62 114.76 1e9j n SER 85 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.42 1e9j n SER 85 Cb 0.48 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1e9j n THR 86 N 7.21 -6.96 0.00 6.66 -1.04 -1.26 -4.31 114.28 114.58 1e9j n THR 86 Ca 0.00 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1e9j n THR 86 Cb 0.00 -5.13 0.00 0.00 -1.82 0.00 0.00 70.33 63.38 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j n TYR 88 N 0.00 0.00 0.00 0.00 4.19 -1.26 -4.78 117.16 115.31 1e9j n TYR 88 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1e9j n TYR 88 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 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 0.00 0.00 -0.57 2.98 9.36 -1.26 -5.10 117.16 122.57 1e9j n TYR 89 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 1e9j n TYR 89 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1e9j n TYR 89 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1e9j n HIS 90 N 0.00 0.48 0.18 2.98 -0.00 -1.26 -4.75 115.22 112.85 1e9j n HIS 90 Ca 0.00 0.32 0.02 0.00 -0.00 0.00 0.00 57.72 58.06 1e9j n HIS 90 Cb 0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 29.99 28.95 1e9j n HIS 90 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1e9j n LYS 91 N 3.41 4.50 0.00 -1.40 3.00 -1.26 -5.22 118.16 121.19 1e9j n LYS 91 Ca 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1e9j n LYS 91 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1e9j n LYS 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83