#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 -0.18 0.00 0.00 -0.02 -1.26 -4.79 135.00 128.76 1e9j n PRO 2 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1e9j n PRO 2 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1e9j n PRO 2 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1e9j n ASP 3 N -3.91 0.00 -0.59 2.55 2.03 -1.26 -5.17 116.55 110.20 1e9j n ASP 3 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1e9j n ASP 3 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1e9j n VAL 4 N 0.00 0.00 -2.77 5.18 0.24 -1.26 -4.82 118.33 114.90 1e9j n VAL 4 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1e9j n VAL 4 Cb 0.00 -1.09 0.04 0.00 -1.47 0.00 0.00 33.84 31.32 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n GLN 5 N -0.18 -3.37 -3.71 7.34 6.02 -1.26 -5.05 117.38 117.17 1e9j n GLN 5 Ca 0.00 0.41 -0.16 0.00 -0.01 0.00 0.00 57.00 57.24 1e9j n GLN 5 Cb 0.00 -4.14 -0.15 0.00 1.02 0.00 0.00 30.24 26.96 1e9j n GLN 5 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1e9j s ASP 6 N -3.55 0.37 -0.54 1.08 -4.77 -1.26 -5.06 116.67 102.93 1e9j s ASP 6 Ca 0.06 0.26 0.06 0.00 -3.30 0.00 0.00 52.55 49.62 1e9j s ASP 6 Cb -0.03 0.15 0.35 0.00 -1.09 0.00 0.00 42.92 42.31 1e9j s ASP 6 CO 0.36 -0.19 0.95 0.00 0.70 0.00 0.00 175.17 176.98 1e9j s PRO 8 N -3.40 3.59 0.10 0.00 0.04 -1.26 -4.61 135.00 129.46 1e9j s PRO 8 Ca 0.48 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 1e9j s PRO 8 Cb 0.30 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1e9j s PRO 8 CO -0.14 -0.63 0.07 -1.91 0.04 0.00 0.00 177.00 174.43 1e9j n GLU 9 N -1.13 0.00 -0.62 4.56 2.13 -0.60 -3.86 120.64 121.13 1e9j n GLU 9 Ca 0.10 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.68 1e9j n GLU 9 Cb 0.52 -0.29 -0.03 0.00 0.27 0.00 0.00 31.44 31.91 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e9j s THR 11 N 0.11 1.63 0.01 0.00 -4.23 -1.26 -4.77 115.64 107.12 1e9j s THR 11 Ca 0.37 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1e9j s THR 11 Cb -0.52 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 1e9j s THR 11 CO 0.24 -0.49 1.77 -0.76 -0.54 0.00 0.00 174.62 174.84 1e9j s LEU 12 N -2.94 4.37 -0.67 4.79 1.02 -1.26 0.29 118.68 124.29 1e9j s LEU 12 Ca 0.17 2.46 0.03 0.00 0.02 0.00 0.00 54.13 56.81 1e9j s LEU 12 Cb -0.03 -3.54 0.36 0.00 0.02 0.00 0.00 46.19 43.00 1e9j s LEU 12 CO 0.05 -0.97 1.29 0.00 0.02 0.00 0.00 176.35 176.75 1e9j n GLN 13 N 6.95 3.70 0.00 1.70 1.13 -1.26 -4.83 117.38 124.77 1e9j n GLN 13 Ca 0.18 -4.59 0.00 0.00 -1.94 0.00 0.00 57.00 50.65 1e9j n GLN 13 Cb 0.42 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.47 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1e9j n GLU 14 N -0.30 0.00 -1.54 -1.09 2.13 -1.26 -4.41 120.64 114.17 1e9j n GLU 14 Ca 0.39 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.83 1e9j n GLU 14 Cb 0.41 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.07 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 0.02 2.16 -0.09 4.31 2.85 0.70 -4.73 115.26 120.47 1e9j n ASN 15 Ca 0.00 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1e9j n ASN 15 Cb 0.00 -1.49 0.00 0.00 1.24 0.00 0.00 39.78 39.53 1e9j n ASN 15 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1e9j n PRO 16 N 8.89 0.65 -0.01 1.20 -0.02 -1.26 -0.33 135.00 144.12 1e9j n PRO 16 Ca 0.40 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1e9j n PRO 16 Cb 0.46 -1.06 -0.02 0.00 -0.02 0.00 0.00 33.50 32.87 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1e9j n PHE 17 N -0.37 0.00 0.43 6.00 -0.00 -1.26 -4.70 117.46 117.55 1e9j n PHE 17 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 1e9j n PHE 17 Cb 0.03 -0.22 0.27 0.00 -0.00 0.00 0.00 39.48 39.56 1e9j n PHE 17 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 1e9j h PHE 18 N -0.38 0.00 -1.19 -5.13 0.04 -1.89 -3.45 116.94 104.95 1e9j h PHE 18 Ca -0.04 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.18 1e9j h PHE 18 Cb 0.51 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1e9j h PHE 18 CO -0.15 0.00 1.58 -1.13 -0.60 0.00 0.00 178.31 178.01 1e9j n SER 19 N -2.61 1.99 -4.30 2.17 3.41 0.55 -4.52 113.62 110.31 1e9j n SER 19 Ca 0.04 -0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.46 1e9j n SER 19 Cb 0.48 -1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 62.97 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 7.56 1.21 -0.15 4.33 -1.52 0.43 -4.90 119.66 126.62 1e9j s GLN 20 Ca 1.09 -1.49 -0.15 0.00 -1.95 0.00 0.00 55.36 52.86 1e9j s GLN 20 Cb -0.61 -0.97 -0.17 0.00 -0.22 0.00 0.00 33.01 31.04 1e9j s GLN 20 CO 0.38 0.16 1.20 -2.30 -0.25 0.00 0.00 175.29 174.48 1e9j n PRO 21 N -0.15 0.01 0.00 2.91 -0.02 -1.26 0.13 135.00 136.62 1e9j n PRO 21 Ca -0.10 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1e9j n PRO 21 Cb 0.60 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1e9j n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1e9j n GLY 22 N 4.56 0.66 2.86 -1.23 0.00 -1.26 -5.09 105.19 105.69 1e9j n GLY 22 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.91 -1.02 4.61 0.00 0.34 -5.06 121.76 119.72 1e9j s ALA 23 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1e9j s ALA 23 Cb 0.00 -1.82 0.31 0.00 0.00 0.00 0.00 23.12 21.61 1e9j s ALA 23 CO 0.00 -1.54 1.45 -0.35 0.00 0.00 0.00 175.76 175.32 1e9j n PRO 24 N 5.34 4.41 -0.69 0.00 -0.04 -1.26 0.16 135.00 142.93 1e9j n PRO 24 Ca -0.02 -4.59 -0.00 0.00 -0.04 0.00 0.00 63.50 58.85 1e9j n PRO 24 Cb 0.49 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.03 0.00 -2.31 0.52 2.08 -1.26 -4.31 119.36 115.11 1e9j n ILE 25 Ca 0.29 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.60 1e9j n ILE 25 Cb 0.33 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 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 0.25 117.00 122.15 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 -0.42 3.23 7.27 -1.26 -4.17 117.38 122.03 1e9j n GLN 27 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1e9j n GLN 27 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 2.41 0.00 0.00 0.00 1.56 0.85 -4.57 117.12 117.37 1e9j n MET 29 Ca 0.18 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.61 1e9j n MET 29 Cb -0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 0.00 1.56 2.69 -5.12 0.00 -1.26 -4.62 105.19 98.43 1e9j n GLY 30 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.00 -1.49 0.00 1.16 -1.26 -4.69 117.46 111.18 1e9j n PHE 33 Ca -0.27 -0.08 -0.59 0.00 -1.87 0.00 0.00 57.45 54.65 1e9j n PHE 33 Cb 0.69 0.29 -0.08 0.00 -1.61 0.00 0.00 39.48 38.76 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 0.00 0.07 0.00 5.98 7.64 -1.26 -4.90 113.62 121.15 1e9j n SER 34 Ca -0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1e9j n SER 34 Cb 0.32 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 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 1.64 0.00 0.00 1.43 1.85 -1.26 -5.03 116.66 115.29 1e9j n ARG 35 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1e9j n ARG 35 Cb 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.48 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 -0.21 0.00 -3.61 2.89 0.00 -1.26 -5.02 120.51 113.30 1e9j n ALA 36 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1e9j n ALA 36 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 -2.47 -1.67 0.00 4.02 -1.26 -4.75 117.16 111.03 1e9j n TYR 37 Ca 0.00 1.03 -0.43 0.00 -0.01 0.00 0.00 57.90 58.50 1e9j n TYR 37 Cb 0.00 -2.05 -0.03 0.00 -0.02 0.00 0.00 39.34 37.23 1e9j n TYR 37 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1e9j n PRO 38 N -0.96 2.81 0.10 -0.72 -0.04 -1.26 -4.89 135.00 130.03 1e9j n PRO 38 Ca -0.17 1.03 0.12 0.00 -0.04 0.00 0.00 63.50 64.44 1e9j n PRO 38 Cb 0.69 -2.97 0.09 0.00 -0.04 0.00 0.00 33.50 31.28 1e9j n PRO 38 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1e9j h THR 39 N 5.45 0.00 0.00 0.52 2.02 -2.05 -3.47 112.91 115.38 1e9j h THR 39 Ca -0.49 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1e9j h THR 39 Cb 1.24 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1e9j h THR 39 CO 0.94 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 174.18 1e9j n PRO 40 N -2.48 1.70 -1.58 6.66 -0.02 -1.26 -5.06 135.00 132.96 1e9j n PRO 40 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1e9j n PRO 40 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1e9j n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1e9j n LEU 41 N 0.00 0.00 -4.69 2.45 4.32 -1.26 -5.06 117.00 112.76 1e9j n LEU 41 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.55 1e9j n LEU 41 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1e9j n LEU 41 CO 0.00 -0.14 1.40 -2.11 -1.22 0.00 0.00 177.39 175.32 1e9j n ARG 42 N -0.29 2.57 -2.31 3.23 1.85 -1.26 -4.27 116.66 116.19 1e9j n ARG 42 Ca 0.00 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.78 1e9j n ARG 42 Cb 0.00 -2.79 0.00 0.00 -1.05 0.00 0.00 32.46 28.62 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1e9j n SER 43 N 5.02 -8.74 -4.00 2.89 3.41 -1.26 -5.02 113.62 105.91 1e9j n SER 43 Ca 0.18 1.77 -0.27 0.00 -0.26 0.00 0.00 58.87 60.28 1e9j n SER 43 Cb 0.34 -4.92 -0.17 0.00 -0.26 0.00 0.00 64.21 59.20 1e9j n SER 43 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1e9j s LYS 44 N -0.54 1.91 0.00 4.33 0.00 -1.26 -4.97 119.74 119.20 1e9j s LYS 44 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 55.97 55.53 1e9j s LYS 44 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 37.83 36.13 1e9j s LYS 44 CO 0.00 -0.11 0.00 1.63 0.00 0.00 0.00 175.35 176.87 1e9j n LYS 45 N 4.35 4.06 0.00 1.78 5.02 -1.26 -5.08 118.16 127.03 1e9j n LYS 45 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1e9j n LYS 45 Cb 0.51 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1e9j n THR 46 N -0.80 0.00 -3.29 -0.18 -1.04 -1.26 -5.06 114.28 102.65 1e9j n THR 46 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1e9j n THR 46 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1e9j n THR 46 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1e9j n MET 47 N 0.00 -1.60 -3.42 -2.82 0.00 -1.26 -5.00 117.12 103.02 1e9j n MET 47 Ca 0.00 1.36 -0.23 0.00 0.00 0.00 0.00 57.70 58.83 1e9j n MET 47 Cb 0.00 -4.36 -0.10 0.00 0.00 0.00 0.00 33.22 28.76 1e9j n MET 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1e9j s LEU 48 N -3.95 0.45 -0.64 -0.89 1.43 -1.26 -5.08 118.68 108.74 1e9j s LEU 48 Ca 0.07 -1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 51.31 1e9j s LEU 48 Cb -0.01 0.07 0.17 0.00 0.03 0.00 0.00 46.19 46.44 1e9j s LEU 48 CO 0.81 -0.29 0.47 0.68 0.23 0.00 0.00 176.35 178.24 1e9j s VAL 49 N 1.32 3.86 0.02 -1.59 -7.23 -1.26 -4.90 120.40 110.62 1e9j s VAL 49 Ca 0.17 -2.92 0.00 0.00 -1.81 0.00 0.00 61.98 57.42 1e9j s VAL 49 Cb -0.19 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1e9j s VAL 49 CO -0.04 -0.89 0.00 0.00 -0.31 0.00 0.00 175.10 173.86 1e9j n GLN 50 N 3.52 -1.33 -3.65 4.82 6.02 -1.26 -4.99 117.38 120.51 1e9j n GLN 50 Ca 0.08 1.33 -0.40 0.00 -0.01 0.00 0.00 57.00 58.01 1e9j n GLN 50 Cb 0.39 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 1e9j n GLN 50 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1e9j s LYS 51 N -1.82 2.72 0.40 -1.09 2.47 -1.26 -5.09 119.74 116.08 1e9j s LYS 51 Ca 0.00 -1.15 -0.05 0.00 -1.56 0.00 0.00 55.97 53.20 1e9j s LYS 51 Cb 0.00 -3.64 0.08 0.00 -1.46 0.00 0.00 37.83 32.81 1e9j s LYS 51 CO 0.00 -0.71 0.18 0.09 0.16 0.00 0.00 175.35 175.07 1e9j n ASN 52 N 4.93 -1.90 0.00 1.43 5.03 -1.26 -4.54 115.26 118.95 1e9j n ASN 52 Ca -0.12 -0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.15 1e9j n ASN 52 Cb 0.45 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1e9j n ASN 52 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1e9j n VAL 53 N -3.32 0.00 0.00 2.41 0.24 -1.26 -4.85 118.33 111.55 1e9j n VAL 53 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1e9j n VAL 53 Cb 0.13 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1e9j n VAL 53 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1e9j n THR 54 N 0.00 0.00 -3.02 3.34 -2.24 -1.26 -4.96 114.28 106.14 1e9j n THR 54 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 1e9j n THR 54 Cb 0.00 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1e9j n THR 54 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1e9j s SER 55 N -4.37 7.06 -0.21 3.42 0.01 -1.26 -4.67 113.70 113.68 1e9j s SER 55 Ca 0.00 -2.99 -0.07 0.00 1.31 0.00 0.00 55.95 54.20 1e9j s SER 55 Cb 0.00 -2.36 -0.10 0.00 0.21 0.00 0.00 66.02 63.76 1e9j s SER 55 CO 0.00 -0.70 -0.25 1.21 0.41 0.00 0.00 173.24 173.92 1e9j n GLU 56 N 5.22 0.46 -2.90 12.44 4.07 -1.26 -5.09 120.64 133.57 1e9j n GLU 56 Ca 0.33 0.17 -0.01 0.00 -0.06 0.00 0.00 57.16 57.59 1e9j n GLU 56 Cb 0.43 -1.29 -0.01 0.00 -0.06 0.00 0.00 31.44 30.51 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 -3.71 -6.11 -3.73 4.31 7.64 -1.26 -5.05 113.62 105.70 1e9j n SER 57 Ca -0.40 1.03 -0.07 0.00 1.01 0.00 0.00 58.87 60.44 1e9j n SER 57 Cb 0.81 -3.58 -0.02 0.00 -1.01 0.00 0.00 64.21 60.42 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 -1.01 0.00 -0.30 0.44 -4.23 -1.26 -4.74 115.64 104.54 1e9j s THR 58 Ca -0.05 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1e9j s THR 58 Cb 0.00 -1.76 0.18 0.00 1.34 0.00 0.00 72.50 72.27 1e9j s THR 58 CO 0.42 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 175.12 1e9j n VAL 61 N 5.73 1.42 -1.64 0.00 0.31 -1.22 -4.91 118.33 118.01 1e9j n VAL 61 Ca -0.02 -4.61 0.00 0.00 -0.01 0.00 0.00 64.34 59.70 1e9j n VAL 61 Cb 0.48 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1e9j n ALA 62 N -0.07 -1.00 -0.28 3.52 0.00 -1.26 -4.63 120.51 116.79 1e9j n ALA 62 Ca 0.26 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.99 1e9j n ALA 62 Cb 0.62 -0.32 0.65 0.00 0.00 0.00 0.00 19.45 20.40 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 3.82 0.14 -1.68 0.00 1.63 2.21 -3.34 116.57 119.34 1e9j h LYS 63 Ca 0.00 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1e9j h LYS 63 Cb 0.00 -0.03 -0.28 0.00 -0.60 0.00 0.00 32.23 31.32 1e9j h LYS 63 CO 0.00 0.09 -0.44 -1.12 -3.45 0.00 0.00 179.45 174.53 1e9j s SER 64 N -5.33 -0.10 0.26 4.20 0.01 -0.34 -4.89 113.70 107.50 1e9j s SER 64 Ca -0.06 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.51 1e9j s SER 64 Cb 0.23 1.34 -0.04 0.00 0.21 0.00 0.00 66.02 67.77 1e9j s SER 64 CO 0.79 -0.30 0.42 -0.72 0.41 0.00 0.00 173.24 173.85 1e9j s TYR 65 N 2.61 3.48 -0.09 2.43 -0.85 -1.25 0.36 117.35 124.04 1e9j s TYR 65 Ca 0.14 0.22 0.17 0.00 -0.52 0.00 0.00 57.07 57.08 1e9j s TYR 65 Cb -0.15 -1.77 0.38 0.00 0.38 0.00 0.00 41.96 40.80 1e9j s TYR 65 CO -0.18 0.33 1.17 0.09 -1.52 0.00 0.00 175.55 175.43 1e9j n ASN 66 N -1.24 1.30 0.00 -0.18 4.13 0.25 -4.77 115.26 114.75 1e9j n ASN 66 Ca -0.06 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.36 1e9j n ASN 66 Cb 0.56 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1e9j n ARG 67 N -0.33 0.00 -2.53 3.52 0.00 -1.20 -3.89 116.66 112.24 1e9j n ARG 67 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.84 1e9j n ARG 67 Cb 0.89 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.38 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1e9j n VAL 68 N 0.00 1.72 -0.36 5.15 0.24 -1.26 -4.60 118.33 119.22 1e9j n VAL 68 Ca 0.00 -3.59 -0.14 0.00 -2.04 0.00 0.00 64.34 58.56 1e9j n VAL 68 Cb 0.00 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.50 0.00 -4.12 3.34 -1.04 -1.25 -4.82 114.28 105.88 1e9j n THR 69 Ca 0.22 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.16 1e9j n THR 69 Cb 0.83 -0.11 -0.02 0.00 -1.82 0.00 0.00 70.33 69.21 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 0.98 0.00 -1.30 12.58 0.31 -1.19 -4.82 118.33 124.89 1e9j n VAL 70 Ca 0.08 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1e9j n VAL 70 Cb -0.01 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1e9j n VAL 70 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1e9j n MET 71 N -0.24 0.00 -0.41 5.55 2.81 -1.26 0.17 117.12 123.75 1e9j n MET 71 Ca -0.01 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1e9j n MET 71 Cb 0.17 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.76 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 2.72 0.00 3.03 0.00 -1.26 -4.64 105.19 105.04 1e9j n GLY 72 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.02 2.00 3.47 -0.02 0.00 -0.29 -5.12 105.19 105.20 1e9j n GLY 73 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.74 -0.33 1.61 0.40 0.45 -4.78 117.98 114.06 1e9j s PHE 74 Ca 0.00 0.85 0.04 0.00 -0.60 0.00 0.00 56.93 57.23 1e9j s PHE 74 Cb 0.00 -3.11 0.17 0.00 0.51 0.00 0.00 43.02 40.59 1e9j s PHE 74 CO 0.00 -4.11 0.49 0.15 0.70 0.00 0.00 175.22 172.46 1e9j s LYS 75 N -4.85 0.57 -0.01 0.44 -0.14 -1.26 -3.19 119.74 111.29 1e9j s LYS 75 Ca 0.68 -0.02 0.11 0.00 -1.36 0.00 0.00 55.97 55.39 1e9j s LYS 75 Cb -0.18 -0.16 0.34 0.00 -1.68 0.00 0.00 37.83 36.15 1e9j s LYS 75 CO 0.60 -1.10 1.26 1.33 -0.76 0.00 0.00 175.35 176.68 1e9j n VAL 76 N 4.99 0.60 -2.56 3.17 0.24 -1.26 -4.84 118.33 118.67 1e9j n VAL 76 Ca 0.06 -0.52 -0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1e9j n VAL 76 Cb 0.51 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.56 -0.91 -0.34 7.34 -0.58 -1.26 -0.80 120.64 124.65 1e9j n GLU 77 Ca 0.13 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1e9j n GLU 77 Cb 0.36 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.37 0.00 -4.63 1.62 5.15 -1.25 -0.12 115.26 115.66 1e9j n ASN 78 Ca 0.04 0.00 -0.63 0.00 -0.60 0.00 0.00 54.58 53.39 1e9j n ASN 78 Cb 0.16 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.07 1.70 0.24 1.20 8.25 0.02 0.84 115.22 127.40 1e9j n HIS 79 Ca 0.00 0.88 0.09 0.00 -0.26 0.00 0.00 57.72 58.43 1e9j n HIS 79 Cb 0.00 -2.31 -0.13 0.00 1.12 0.00 0.00 29.99 28.67 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 4.82 0.00 -3.64 1.59 -2.24 1.14 -4.84 114.28 111.11 1e9j n THR 80 Ca 0.35 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1e9j n THR 80 Cb 0.00 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.06 -1.97 0.05 6.98 0.00 -0.46 -4.82 121.76 118.48 1e9j s ALA 81 Ca -0.03 1.94 0.07 0.00 0.00 0.00 0.00 51.96 53.94 1e9j s ALA 81 Cb 0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1e9j s ALA 81 CO 0.73 -0.26 -0.16 0.00 0.00 0.00 0.00 175.76 176.07 1e9j s HIS 83 N -0.97 -0.16 -0.75 0.00 -3.43 -1.26 -4.46 115.29 104.25 1e9j s HIS 83 Ca 0.16 0.12 -0.20 0.00 -0.80 0.00 0.00 55.06 54.34 1e9j s HIS 83 Cb -0.11 -0.43 0.11 0.00 -1.43 0.00 0.00 32.58 30.72 1e9j s HIS 83 CO 0.07 -0.56 0.94 0.00 -2.00 0.00 0.00 174.74 173.18 1e9j n SER 85 N 6.69 0.26 -0.86 0.00 2.88 -0.73 -4.20 113.62 117.67 1e9j n SER 85 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1e9j n SER 85 Cb 0.46 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1e9j n THR 86 N 0.00 0.00 -1.54 2.46 -1.04 -1.26 -1.74 114.28 111.16 1e9j n THR 86 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1e9j n THR 86 Cb 0.00 -0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.49 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j s TYR 88 N -2.16 -0.76 0.50 0.00 5.04 -1.26 -5.07 117.35 113.64 1e9j s TYR 88 Ca 0.00 0.46 -0.22 0.00 -2.44 0.00 0.00 57.07 54.86 1e9j s TYR 88 Cb 0.00 0.14 -0.06 0.00 0.35 0.00 0.00 41.96 42.38 1e9j s TYR 88 CO 0.00 -0.44 1.27 -0.47 -1.34 0.00 0.00 175.55 174.56 1e9j s TYR 89 N 2.93 2.58 0.00 4.97 5.04 -1.26 -4.92 117.35 126.69 1e9j s TYR 89 Ca 0.23 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1e9j s TYR 89 Cb -0.04 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1e9j s TYR 89 CO -0.23 -2.22 0.00 -2.39 -1.34 0.00 0.00 175.55 169.37 1e9j n HIS 90 N -0.73 0.00 -0.97 4.97 1.44 -1.26 -5.03 115.22 113.64 1e9j n HIS 90 Ca 0.09 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.48 1e9j n HIS 90 Cb 0.46 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.45 1e9j n HIS 90 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1e9j n LYS 91 N 0.00 0.04 0.00 -1.40 5.02 -1.26 -5.29 118.16 115.27 1e9j n LYS 91 Ca 0.00 -1.30 0.08 0.00 -2.02 0.00 0.00 58.31 55.07 1e9j n LYS 91 Cb 0.00 -3.13 0.49 0.00 -0.02 0.00 0.00 35.03 32.37 1e9j n LYS 91 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75