#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 0.66 -3.54 0.00 -0.02 -1.26 -4.97 135.00 125.86 1e9j n PRO 2 Ca 0.00 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1e9j n PRO 2 Cb 0.00 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1e9j n PRO 2 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1e9j s ASP 3 N -0.17 -0.46 -0.92 2.55 -1.08 -1.26 -5.07 116.67 110.25 1e9j s ASP 3 Ca 0.76 -0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.61 1e9j s ASP 3 Cb -0.97 0.61 0.33 0.00 -1.46 0.00 0.00 42.92 41.43 1e9j s ASP 3 CO 0.54 -1.04 1.79 1.33 0.52 0.00 0.00 175.17 178.31 1e9j n VAL 4 N -0.38 5.06 -0.59 1.11 0.24 -1.26 -5.04 118.33 117.47 1e9j n VAL 4 Ca -0.14 -5.46 -0.21 0.00 -2.04 0.00 0.00 64.34 56.49 1e9j n VAL 4 Cb 0.64 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.54 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 -0.22 0.00 -2.59 7.34 0.00 -1.26 -4.90 117.38 115.75 1e9j n GLN 5 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 57.43 1e9j n GLN 5 Cb 0.28 -0.47 0.09 0.00 0.00 0.00 0.00 30.24 30.13 1e9j n GLN 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1e9j n ASP 6 N 0.78 -1.51 0.00 2.61 2.03 -1.26 -4.99 116.55 114.21 1e9j n ASP 6 Ca 0.08 -2.14 0.00 0.00 0.52 0.00 0.00 54.79 53.25 1e9j n ASP 6 Cb 0.09 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e9j n PRO 8 N 0.00 0.00 -0.41 0.00 -0.02 -1.23 -4.44 135.00 128.89 1e9j n PRO 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1e9j n PRO 8 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1e9j n PRO 8 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1e9j n GLU 9 N 0.43 -1.19 -2.63 -0.52 4.07 1.23 -4.81 120.64 117.22 1e9j n GLU 9 Ca 0.07 0.89 -0.42 0.00 -0.06 0.00 0.00 57.16 57.64 1e9j n GLU 9 Cb 0.08 -1.00 -0.03 0.00 -0.06 0.00 0.00 31.44 30.44 1e9j n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1e9j n THR 11 N 4.34 0.00 -5.26 0.00 5.66 -1.26 -4.73 114.28 113.03 1e9j n THR 11 Ca 0.08 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.77 1e9j n THR 11 Cb 0.49 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.10 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 2.08 -0.64 1.09 1.02 -1.26 0.95 118.68 121.92 1e9j s LEU 12 Ca 0.00 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.62 1e9j s LEU 12 Cb 0.00 -1.38 0.29 0.00 0.02 0.00 0.00 46.19 45.13 1e9j s LEU 12 CO 0.00 0.25 2.20 0.00 0.02 0.00 0.00 176.35 178.82 1e9j n GLN 13 N 2.91 2.53 0.00 1.70 1.13 -1.26 -4.60 117.38 119.79 1e9j n GLN 13 Ca -0.17 -2.93 0.00 0.00 -1.94 0.00 0.00 57.00 51.96 1e9j n GLN 13 Cb 0.52 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 28.71 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 -0.19 0.00 -1.64 -1.09 2.13 -1.25 -4.46 120.64 114.13 1e9j n GLU 14 Ca 0.52 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.94 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 5.09 0.00 4.31 3.84 0.93 -4.73 114.94 124.38 1e9j s ASN 15 Ca 0.00 1.47 0.03 0.00 0.21 0.00 0.00 52.86 54.56 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 -2.31 1.00 -0.81 -2.79 0.00 0.00 177.10 172.18 1e9j n PRO 16 N 8.85 0.89 -0.07 0.43 -0.04 -1.26 -1.43 135.00 142.36 1e9j n PRO 16 Ca 0.31 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1e9j n PRO 16 Cb 0.49 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.55 0.00 1.63 0.54 -0.00 -1.26 -4.57 117.46 113.25 1e9j n PHE 17 Ca 0.02 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.62 1e9j n PHE 17 Cb 0.01 -0.42 0.74 0.00 -0.00 0.00 0.00 39.48 39.81 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 -4.31 0.00 -1.72 -5.13 3.72 -1.22 -4.87 117.46 103.93 1e9j n PHE 18 Ca -0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1e9j n PHE 18 Cb 0.44 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1e9j n PHE 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1e9j s SER 19 N -2.26 6.45 0.35 4.37 0.15 -0.52 -4.42 113.70 117.82 1e9j s SER 19 Ca 0.37 2.70 0.04 0.00 0.70 0.00 0.00 55.95 59.76 1e9j s SER 19 Cb 0.21 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1e9j s SER 19 CO 0.42 -1.01 0.07 -1.10 1.20 0.00 0.00 173.24 172.82 1e9j s GLN 20 N 3.27 1.73 -0.22 5.44 -0.21 0.49 -4.91 119.66 125.25 1e9j s GLN 20 Ca 0.82 -1.99 -0.13 0.00 0.02 0.00 0.00 55.36 54.08 1e9j s GLN 20 Cb -0.44 -0.83 -0.14 0.00 1.00 0.00 0.00 33.01 32.59 1e9j s GLN 20 CO 0.37 -0.26 1.44 -0.35 -2.12 0.00 0.00 175.29 174.38 1e9j n PRO 21 N -0.76 0.46 0.00 2.91 -0.04 -1.26 -1.16 135.00 135.16 1e9j n PRO 21 Ca -0.04 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1e9j n PRO 21 Cb 0.66 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 4.34 -0.45 2.85 0.55 0.00 -1.26 -5.10 105.19 106.12 1e9j n GLY 22 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.23 -0.93 -0.87 4.61 0.00 -0.31 -5.08 121.76 118.95 1e9j s ALA 23 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1e9j s ALA 23 Cb 0.00 -1.99 0.22 0.00 0.00 0.00 0.00 23.12 21.36 1e9j s ALA 23 CO 0.00 -1.75 0.78 -1.25 0.00 0.00 0.00 175.76 173.54 1e9j s PRO 24 N 2.46 3.39 0.33 0.00 0.04 -1.26 0.19 135.00 140.14 1e9j s PRO 24 Ca 0.10 -2.97 -0.02 0.00 0.04 0.00 0.00 61.00 58.14 1e9j s PRO 24 Cb -0.13 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.32 1e9j s PRO 24 CO -0.31 -1.25 0.07 -0.89 0.04 0.00 0.00 177.00 174.66 1e9j n ILE 25 N 2.93 0.00 -2.36 0.56 2.08 -1.26 -4.25 119.36 117.06 1e9j n ILE 25 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1e9j n ILE 25 Cb 0.39 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 0.31 117.00 122.21 1e9j n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1e9j n LEU 26 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1e9j n LEU 26 CO 0.03 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.76 1e9j n GLN 27 N 0.00 0.00 0.00 3.23 7.27 -1.26 -4.26 117.38 122.36 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 0.19 0.00 0.00 0.00 1.56 0.27 -4.62 117.12 114.51 1e9j n MET 29 Ca 0.00 0.49 0.00 0.00 -0.27 0.00 0.00 57.70 57.92 1e9j n MET 29 Cb 0.00 -1.34 0.00 0.00 2.15 0.00 0.00 33.22 34.03 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 -0.11 1.11 2.32 -5.12 0.00 -1.26 -4.88 105.19 97.25 1e9j n GLY 30 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 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 11.87 0.00 -2.28 0.00 1.16 -1.26 -4.79 117.46 122.16 1e9j n PHE 33 Ca 0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.96 1e9j n PHE 33 Cb 0.48 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.34 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 0.00 0.17 -0.14 5.98 3.41 -1.26 -5.00 113.62 116.78 1e9j n SER 34 Ca 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1e9j n SER 34 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.28 0.54 -1.19 4.33 1.74 -1.26 -5.00 116.66 116.10 1e9j n ARG 35 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1e9j n ARG 35 Cb 0.94 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.38 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e9j n ALA 36 N -3.00 -1.75 0.02 7.54 0.00 -1.26 -4.71 120.51 117.35 1e9j n ALA 36 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1e9j n ALA 36 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1e9j n ALA 36 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1e9j h TYR 37 N 0.90 -0.49 -4.23 0.00 0.05 -2.07 -3.43 116.97 107.70 1e9j h TYR 37 Ca 0.00 0.02 -0.52 0.00 0.05 0.00 0.00 58.73 58.28 1e9j h TYR 37 Cb 0.22 0.23 0.15 0.00 1.01 0.00 0.00 36.73 38.34 1e9j h TYR 37 CO 0.02 -0.26 0.33 -2.14 -1.05 0.00 0.00 178.16 175.06 1e9j s PRO 38 N -6.12 1.97 -0.87 4.88 0.02 -1.26 -4.98 135.00 128.64 1e9j s PRO 38 Ca -0.15 1.55 -0.08 0.00 0.02 0.00 0.00 61.00 62.34 1e9j s PRO 38 Cb 0.10 -1.84 0.22 0.00 0.02 0.00 0.00 34.50 33.01 1e9j s PRO 38 CO 0.67 -1.92 0.79 0.95 -0.33 0.00 0.00 177.00 177.16 1e9j s THR 39 N -2.36 5.06 -1.14 0.99 -4.23 -1.26 -4.92 115.64 107.77 1e9j s THR 39 Ca 0.69 -3.11 -0.20 0.00 -1.18 0.00 0.00 61.69 57.89 1e9j s THR 39 Cb -0.24 -4.13 -0.05 0.00 1.34 0.00 0.00 72.50 69.42 1e9j s THR 39 CO 0.50 -1.05 1.94 -0.81 -0.54 0.00 0.00 174.62 174.66 1e9j n PRO 40 N 3.21 2.17 -1.47 3.99 -0.04 -1.26 -4.83 135.00 136.76 1e9j n PRO 40 Ca 0.17 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1e9j n PRO 40 Cb 0.41 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1e9j n PRO 40 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1e9j n LEU 41 N 9.48 0.00 0.00 1.53 -0.00 -1.26 -5.03 117.00 121.72 1e9j n LEU 41 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1e9j n LEU 41 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1e9j n LEU 41 CO 0.85 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.78 1e9j n ARG 42 N 0.00 2.66 -3.18 1.47 1.74 -1.26 -4.92 116.66 113.17 1e9j n ARG 42 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1e9j n ARG 42 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1e9j n SER 43 N -0.81 -6.67 -4.65 0.55 3.41 -1.26 -4.81 113.62 99.39 1e9j n SER 43 Ca 0.00 0.31 -0.44 0.00 -0.26 0.00 0.00 58.87 58.48 1e9j n SER 43 Cb 0.00 -3.14 -0.02 0.00 -0.26 0.00 0.00 64.21 60.80 1e9j n SER 43 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1e9j n LYS 44 N 0.11 1.81 -3.45 4.33 0.00 -1.26 -4.94 118.16 114.76 1e9j n LYS 44 Ca -0.00 0.64 -0.43 0.00 -0.00 0.00 0.00 58.31 58.51 1e9j n LYS 44 Cb 0.52 -2.17 -0.08 0.00 -0.00 0.00 0.00 35.03 33.30 1e9j n LYS 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1e9j s LYS 45 N -1.27 2.79 0.00 -1.58 -0.14 -1.26 -4.97 119.74 113.30 1e9j s LYS 45 Ca 0.61 -1.57 0.00 0.00 -1.36 0.00 0.00 55.97 53.65 1e9j s LYS 45 Cb -0.65 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 31.44 1e9j s LYS 45 CO 0.57 -1.14 0.22 2.41 -0.76 0.00 0.00 175.35 176.66 1e9j n THR 46 N 5.09 0.00 -2.93 2.17 -1.04 -1.26 -4.89 114.28 111.42 1e9j n THR 46 Ca -0.11 0.60 -0.06 0.00 -2.04 0.00 0.00 64.05 62.44 1e9j n THR 46 Cb 0.42 -1.38 -0.01 0.00 -1.82 0.00 0.00 70.33 67.54 1e9j n THR 46 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1e9j s MET 47 N -1.13 1.00 0.12 -2.82 1.75 -1.26 -5.15 119.30 111.81 1e9j s MET 47 Ca 0.00 -1.06 0.07 0.00 -1.25 0.00 0.00 55.69 53.46 1e9j s MET 47 Cb 0.00 -0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.42 1e9j s MET 47 CO 0.00 -1.31 -0.18 -1.17 -0.65 0.00 0.00 175.02 171.71 1e9j s LEU 48 N 0.95 2.35 0.00 4.11 2.96 -1.26 -4.99 118.68 122.80 1e9j s LEU 48 Ca 0.28 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1e9j s LEU 48 Cb -0.01 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.92 1e9j s LEU 48 CO -0.07 -0.02 0.00 1.33 -1.32 0.00 0.00 176.35 176.27 1e9j n VAL 49 N 0.82 0.00 -2.06 1.68 0.24 -1.26 -4.86 118.33 112.89 1e9j n VAL 49 Ca -0.17 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.84 1e9j n VAL 49 Cb 0.55 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.98 1e9j n VAL 49 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1e9j s GLN 50 N 0.00 2.45 -0.11 7.34 0.74 -1.26 -4.79 119.66 124.03 1e9j s GLN 50 Ca 0.00 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.51 1e9j s GLN 50 Cb 0.00 -2.08 0.00 0.00 1.10 0.00 0.00 33.01 32.03 1e9j s GLN 50 CO 0.00 -1.19 0.01 1.17 -0.55 0.00 0.00 175.29 174.74 1e9j n LYS 51 N -3.00 -1.37 -2.16 1.67 3.00 -1.26 -4.93 118.16 110.11 1e9j n LYS 51 Ca 0.07 1.40 -0.43 0.00 -0.00 0.00 0.00 58.31 59.35 1e9j n LYS 51 Cb 0.59 -2.62 -0.02 0.00 0.00 0.00 0.00 35.03 32.98 1e9j n LYS 51 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1e9j s ASN 52 N -0.55 6.75 -0.02 3.14 -0.87 -1.26 -4.99 114.94 117.13 1e9j s ASN 52 Ca -0.02 2.00 -0.07 0.00 -1.57 0.00 0.00 52.86 53.20 1e9j s ASN 52 Cb 0.00 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1e9j s ASN 52 CO 0.29 -0.89 0.16 -0.69 -2.57 0.00 0.00 177.10 173.41 1e9j s VAL 53 N 3.92 0.06 -0.06 1.60 1.01 -1.26 -5.01 120.40 120.67 1e9j s VAL 53 Ca 0.67 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1e9j s VAL 53 Cb -0.29 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1e9j s VAL 53 CO 0.24 -0.25 0.08 0.41 0.00 0.00 0.00 175.10 175.58 1e9j n THR 54 N 1.91 -1.32 -0.17 3.92 -1.04 -1.26 -4.89 114.28 111.44 1e9j n THR 54 Ca -0.20 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1e9j n THR 54 Cb 0.57 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1e9j n THR 54 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1e9j n SER 55 N 1.15 0.56 -0.67 8.00 7.64 -1.26 -5.13 113.62 123.91 1e9j n SER 55 Ca -0.01 -0.83 0.05 0.00 1.01 0.00 0.00 58.87 59.08 1e9j n SER 55 Cb 0.30 0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1e9j n SER 55 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1e9j n GLU 56 N -0.21 -0.72 0.00 1.43 0.00 -1.26 -4.96 120.64 114.92 1e9j n GLU 56 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1e9j n GLU 56 Cb 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 31.44 30.61 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 -3.86 0.00 -2.02 -1.84 7.64 -1.26 -5.17 113.62 107.11 1e9j n SER 57 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1e9j n SER 57 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.00 0.00 -4.07 0.44 -2.24 -1.26 -4.90 114.28 102.25 1e9j n THR 58 Ca 0.00 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1e9j n THR 58 Cb 0.00 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.18 4.43 0.00 0.00 0.11 -0.92 -4.68 120.40 119.52 1e9j s VAL 61 Ca 0.19 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.37 1e9j s VAL 61 Cb 0.30 -5.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.11 1e9j s VAL 61 CO -0.08 -1.82 0.00 0.00 -3.33 0.00 0.00 175.10 169.87 1e9j n ALA 62 N 7.44 0.00 -0.12 1.54 0.00 -1.25 -4.29 120.51 123.83 1e9j n ALA 62 Ca 0.39 0.00 0.26 0.00 0.00 0.00 0.00 53.44 54.09 1e9j n ALA 62 Cb 0.46 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.63 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 0.00 0.00 -1.14 0.00 1.63 1.53 -3.36 116.57 115.23 1e9j h LYS 63 Ca 0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1e9j h LYS 63 Cb 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 31.41 1e9j h LYS 63 CO 0.00 0.00 -0.31 -1.12 -3.45 0.00 0.00 179.45 174.57 1e9j s SER 64 N -5.69 -1.15 0.46 4.20 0.01 -0.63 -4.87 113.70 106.03 1e9j s SER 64 Ca -0.05 0.71 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 1e9j s SER 64 Cb 0.20 1.99 -0.01 0.00 0.21 0.00 0.00 66.02 68.41 1e9j s SER 64 CO 0.74 -0.27 0.70 -0.72 0.41 0.00 0.00 173.24 174.10 1e9j s TYR 65 N 2.81 3.34 -0.08 2.43 -0.85 -1.25 0.30 117.35 124.05 1e9j s TYR 65 Ca 0.19 0.41 0.17 0.00 -0.52 0.00 0.00 57.07 57.32 1e9j s TYR 65 Cb -0.15 -2.29 0.36 0.00 0.38 0.00 0.00 41.96 40.26 1e9j s TYR 65 CO -0.21 -0.32 1.16 -1.71 -1.52 0.00 0.00 175.55 172.95 1e9j n ASN 66 N -2.13 1.20 0.00 -0.18 4.05 0.27 -4.70 115.26 113.77 1e9j n ASN 66 Ca 0.00 -2.68 0.00 0.00 0.45 0.00 0.00 54.58 52.35 1e9j n ASN 66 Cb 0.57 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 41.21 1e9j n ASN 66 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1e9j n ARG 67 N -0.23 0.00 -2.18 1.20 0.63 -1.23 -3.95 116.66 110.91 1e9j n ARG 67 Ca 0.10 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.78 1e9j n ARG 67 Cb 0.91 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.83 1e9j n ARG 67 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1e9j n VAL 68 N 0.00 2.50 0.00 5.15 0.24 -1.26 -4.66 118.33 120.30 1e9j n VAL 68 Ca 0.00 -4.46 0.00 0.00 -2.04 0.00 0.00 64.34 57.84 1e9j n VAL 68 Cb 0.00 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 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 -0.63 0.00 -4.10 3.34 -1.04 -1.25 -4.82 114.28 105.78 1e9j n THR 69 Ca 0.43 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.39 1e9j n THR 69 Cb 0.85 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.34 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 -0.00 12.58 0.31 -1.16 -4.80 118.33 125.25 1e9j n VAL 70 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1e9j n VAL 70 Cb 0.00 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.18 0.00 -0.21 5.55 2.81 -1.26 0.17 117.12 124.01 1e9j n MET 71 Ca -0.02 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.85 1e9j n MET 71 Cb 0.11 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.64 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 2.36 0.00 3.03 0.00 -1.26 -4.58 105.19 104.74 1e9j n GLY 72 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.52 1.24 2.98 -0.02 0.00 0.17 -5.10 105.19 104.98 1e9j n GLY 73 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1e9j n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e9j n PHE 74 N -1.61 -3.01 -3.14 1.61 3.01 0.46 -4.65 117.46 110.12 1e9j n PHE 74 Ca 0.00 -0.36 0.03 0.00 1.01 0.00 0.00 57.45 58.13 1e9j n PHE 74 Cb 0.00 -1.26 -0.00 0.00 -0.01 0.00 0.00 39.48 38.21 1e9j n PHE 74 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1e9j s LYS 75 N -4.11 0.54 -0.05 -1.08 3.01 -1.26 -2.99 119.74 113.80 1e9j s LYS 75 Ca 0.46 0.26 0.07 0.00 -1.01 0.00 0.00 55.97 55.74 1e9j s LYS 75 Cb -0.08 0.17 0.29 0.00 -1.01 0.00 0.00 37.83 37.20 1e9j s LYS 75 CO 0.39 -0.93 1.08 1.33 0.51 0.00 0.00 175.35 177.73 1e9j n VAL 76 N 5.03 0.78 -2.78 3.17 0.24 -1.26 -4.83 118.33 118.67 1e9j n VAL 76 Ca 0.07 -0.47 -0.18 0.00 -2.04 0.00 0.00 64.34 61.72 1e9j n VAL 76 Cb 0.56 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 1e9j n VAL 76 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1e9j n GLU 77 N 0.28 -0.88 0.00 7.34 0.00 -1.26 -1.94 120.64 124.19 1e9j n GLU 77 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1e9j n GLU 77 Cb 0.46 -1.98 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1e9j n ASN 78 N -0.57 0.00 -4.74 -1.84 5.15 -1.25 -0.86 115.26 111.15 1e9j n ASN 78 Ca 0.05 0.00 -0.67 0.00 -0.60 0.00 0.00 54.58 53.36 1e9j n ASN 78 Cb 0.19 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.00 1.77 0.04 1.20 8.25 -0.82 0.95 115.22 126.62 1e9j n HIS 79 Ca 0.00 1.07 0.08 0.00 -0.26 0.00 0.00 57.72 58.61 1e9j n HIS 79 Cb 0.00 -2.26 -0.12 0.00 1.12 0.00 0.00 29.99 28.73 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 4.02 0.00 -3.64 1.59 -2.24 0.88 -4.81 114.28 110.08 1e9j n THR 80 Ca 0.30 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1e9j n THR 80 Cb -0.03 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.05 -1.60 -0.13 6.98 0.00 -0.25 -4.83 121.76 118.88 1e9j s ALA 81 Ca -0.05 1.69 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1e9j s ALA 81 Cb 0.10 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1e9j s ALA 81 CO 0.65 -0.32 -0.13 0.00 0.00 0.00 0.00 175.76 175.96 1e9j s HIS 83 N 1.32 1.93 0.57 0.00 -3.43 -1.26 -4.61 115.29 109.81 1e9j s HIS 83 Ca 0.00 -0.73 -0.04 0.00 -0.80 0.00 0.00 55.06 53.50 1e9j s HIS 83 Cb -0.14 -1.34 0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1e9j s HIS 83 CO -0.07 -0.31 0.85 0.00 -2.00 0.00 0.00 174.74 173.21 1e9j n SER 85 N -2.48 -5.84 -1.02 0.00 7.64 -1.25 -4.73 113.62 105.93 1e9j n SER 85 Ca 0.04 -0.12 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 1e9j n SER 85 Cb 0.58 -3.92 -0.05 0.00 -1.01 0.00 0.00 64.21 59.81 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1e9j n THR 86 N -1.73 0.00 -1.41 0.44 -1.04 -1.26 -4.96 114.28 104.32 1e9j n THR 86 Ca -0.01 -0.14 -0.32 0.00 -2.04 0.00 0.00 64.05 61.54 1e9j n THR 86 Cb 0.51 0.53 0.05 0.00 -1.82 0.00 0.00 70.33 69.60 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 -3.34 -0.03 -1.15 0.00 1.13 -1.26 -5.08 117.35 107.62 1e9j s TYR 88 Ca 0.55 0.32 -0.08 0.00 -1.41 0.00 0.00 57.07 56.45 1e9j s TYR 88 Cb 0.43 -0.30 0.25 0.00 -1.10 0.00 0.00 41.96 41.25 1e9j s TYR 88 CO -0.13 -0.17 1.44 0.98 -2.51 0.00 0.00 175.55 175.17 1e9j n TYR 89 N 4.77 3.77 0.00 -3.49 4.19 -1.26 -4.90 117.16 120.23 1e9j n TYR 89 Ca -0.15 -3.16 0.00 0.00 3.31 0.00 0.00 57.90 57.90 1e9j n TYR 89 Cb 0.50 -1.69 0.00 0.00 0.49 0.00 0.00 39.34 38.64 1e9j n TYR 89 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1e9j n HIS 90 N 2.98 0.00 0.00 2.98 8.25 -1.26 -4.95 115.22 123.22 1e9j n HIS 90 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1e9j n HIS 90 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1e9j n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1e9j n LYS 91 N -0.43 0.00 -0.68 -0.41 4.81 -1.26 -5.33 118.16 114.85 1e9j n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1e9j n LYS 91 Cb 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 35.03 35.00 1e9j n LYS 91 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44