#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 1.10 -4.55 0.00 -0.04 -1.26 -4.81 135.00 125.44 1e9j n PRO 2 Ca 0.00 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1e9j n PRO 2 Cb 0.00 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1e9j s ASP 3 N -1.89 4.05 0.00 3.54 1.01 -1.26 -5.03 116.67 117.09 1e9j s ASP 3 Ca 0.42 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.32 1e9j s ASP 3 Cb 0.20 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.39 1e9j s ASP 3 CO 0.33 0.25 0.00 0.55 0.21 0.00 0.00 175.17 176.51 1e9j n VAL 4 N 1.43 0.00 -0.59 -1.27 3.14 -1.26 -5.10 118.33 114.68 1e9j n VAL 4 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1e9j n VAL 4 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1e9j n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n GLN 5 N -2.20 0.00 -0.57 1.45 10.64 -1.26 -5.06 117.38 120.38 1e9j n GLN 5 Ca 0.00 0.38 0.01 0.00 -1.83 0.00 0.00 57.00 55.56 1e9j n GLN 5 Cb 0.00 -0.21 -0.01 0.00 -0.86 0.00 0.00 30.24 29.16 1e9j n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1e9j n ASP 6 N 0.00 -3.09 -4.24 2.61 8.00 -1.26 -4.78 116.55 113.79 1e9j n ASP 6 Ca 0.00 0.67 -0.41 0.00 0.71 0.00 0.00 54.79 55.76 1e9j n ASP 6 Cb 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.68 1e9j n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e9j n PRO 8 N 2.57 -1.06 -2.33 0.00 -0.04 -1.26 -4.75 135.00 128.12 1e9j n PRO 8 Ca 0.22 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 1e9j n PRO 8 Cb 0.38 -0.08 -0.02 0.00 -0.04 0.00 0.00 33.50 33.74 1e9j n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1e9j s GLU 9 N -3.12 3.89 -0.57 0.54 2.12 -1.26 -2.88 118.70 117.41 1e9j s GLU 9 Ca 0.04 1.38 -0.39 0.00 0.36 0.00 0.00 54.97 56.36 1e9j s GLU 9 Cb -0.00 -3.92 -0.17 0.00 0.26 0.00 0.00 34.13 30.29 1e9j s GLU 9 CO 0.03 -1.16 2.28 0.00 -0.54 0.00 0.00 175.26 175.87 1e9j n THR 11 N 6.93 0.00 -2.70 0.00 5.66 -0.34 -4.86 114.28 118.97 1e9j n THR 11 Ca 0.53 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 61.12 1e9j n THR 11 Cb 0.06 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.80 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 4.49 -0.73 1.09 1.02 -1.26 0.46 118.68 123.75 1e9j s LEU 12 Ca 0.00 1.82 0.01 0.00 0.02 0.00 0.00 54.13 55.98 1e9j s LEU 12 Cb 0.00 -3.59 0.36 0.00 0.02 0.00 0.00 46.19 42.98 1e9j s LEU 12 CO 0.00 -0.09 1.58 0.00 0.02 0.00 0.00 176.35 177.86 1e9j n GLN 13 N 2.81 3.54 0.00 1.70 6.02 -1.24 -4.78 117.38 125.43 1e9j n GLN 13 Ca 0.03 -4.21 0.00 0.00 -0.01 0.00 0.00 57.00 52.80 1e9j n GLN 13 Cb 0.49 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.39 0.00 -1.50 -1.09 2.13 -1.25 -4.39 120.64 114.15 1e9j n GLU 14 Ca 0.45 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.81 1e9j n GLU 14 Cb 0.38 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.03 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 0.20 2.21 -0.77 4.31 2.85 0.28 -4.73 115.26 119.62 1e9j n ASN 15 Ca 0.00 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1e9j n ASN 15 Cb 0.00 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 39.67 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 8.48 0.71 0.06 1.20 -0.04 -1.26 -1.99 135.00 142.16 1e9j n PRO 16 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1e9j n PRO 16 Cb 0.31 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.42 -0.82 0.25 0.54 -0.00 -1.26 -4.81 117.46 111.78 1e9j n PHE 17 Ca 0.00 0.15 0.13 0.00 -0.00 0.00 0.00 57.45 57.73 1e9j n PHE 17 Cb 0.27 0.33 0.55 0.00 -0.00 0.00 0.00 39.48 40.64 1e9j n PHE 17 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1e9j h PHE 18 N 0.00 0.00 -0.17 -5.13 3.57 -1.90 -3.44 116.94 109.87 1e9j h PHE 18 Ca 0.00 0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.84 1e9j h PHE 18 Cb 0.19 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1e9j h PHE 18 CO 0.00 0.12 1.48 -1.13 -2.23 0.00 0.00 178.31 176.55 1e9j n SER 19 N -3.25 0.80 -4.54 0.41 3.41 -0.84 -4.58 113.62 105.02 1e9j n SER 19 Ca 0.00 0.45 -0.25 0.00 -0.26 0.00 0.00 58.87 58.82 1e9j n SER 19 Cb 0.38 -0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 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 7.05 1.86 -0.23 4.33 -1.52 0.31 -4.93 119.66 126.52 1e9j s GLN 20 Ca 1.23 -1.82 -0.09 0.00 -1.95 0.00 0.00 55.36 52.73 1e9j s GLN 20 Cb -1.31 -1.80 -0.10 0.00 -0.22 0.00 0.00 33.01 29.58 1e9j s GLN 20 CO 0.57 0.21 1.40 -0.35 -0.25 0.00 0.00 175.29 176.88 1e9j n PRO 21 N -0.78 0.51 0.00 2.91 -0.04 -1.26 -0.85 135.00 135.48 1e9j n PRO 21 Ca -0.05 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1e9j n PRO 21 Cb 0.62 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 4.21 -0.41 3.14 0.55 0.00 -1.26 -5.11 105.19 106.30 1e9j n GLY 22 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.16 -3.36 -0.80 4.61 0.00 -0.03 -5.11 121.76 116.91 1e9j s ALA 23 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1e9j s ALA 23 Cb 0.00 -2.72 0.20 0.00 0.00 0.00 0.00 23.12 20.60 1e9j s ALA 23 CO 0.00 -2.01 0.68 -1.25 0.00 0.00 0.00 175.76 173.18 1e9j s PRO 24 N 2.83 3.18 0.23 0.00 0.04 -1.26 0.11 135.00 140.13 1e9j s PRO 24 Ca 0.20 -2.78 -0.03 0.00 0.04 0.00 0.00 61.00 58.43 1e9j s PRO 24 Cb -0.05 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.48 1e9j s PRO 24 CO -0.23 -1.23 0.09 -0.89 0.04 0.00 0.00 177.00 174.77 1e9j n ILE 25 N 3.22 0.00 -1.68 0.56 2.08 -1.26 -4.47 119.36 117.81 1e9j n ILE 25 Ca 0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1e9j n ILE 25 Cb 0.40 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 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 0.10 117.00 122.00 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 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1e9j n LEU 26 CO 0.04 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.77 1e9j n GLN 27 N 0.00 0.00 -0.39 3.23 -0.06 -1.26 -3.98 117.38 114.92 1e9j n GLN 27 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 1e9j n GLN 27 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 1e9j n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1e9j s MET 29 N 2.25 1.59 0.00 0.00 1.75 1.62 -4.80 119.30 121.71 1e9j s MET 29 Ca 0.35 -1.05 0.00 0.00 -1.25 0.00 0.00 55.69 53.74 1e9j s MET 29 Cb -0.31 -1.75 0.00 0.00 2.84 0.00 0.00 34.83 35.61 1e9j s MET 29 CO 0.13 0.45 0.00 0.41 -0.65 0.00 0.00 175.02 175.36 1e9j n GLY 30 N 1.75 0.86 3.43 2.11 0.00 -1.26 -1.19 105.19 110.89 1e9j n GLY 30 Ca -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1e9j n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9j s PHE 33 N 0.83 0.99 -0.28 0.00 -0.71 -1.26 -4.97 117.98 112.58 1e9j s PHE 33 Ca 0.84 -0.99 -0.01 0.00 -1.04 0.00 0.00 56.93 55.73 1e9j s PHE 33 Cb -0.87 -0.57 0.00 0.00 -1.21 0.00 0.00 43.02 40.37 1e9j s PHE 33 CO 0.45 -0.22 0.28 0.45 -1.34 0.00 0.00 175.22 174.84 1e9j n SER 34 N -0.12 -4.37 -2.69 1.98 2.88 -1.26 -5.03 113.62 105.01 1e9j n SER 34 Ca -0.09 0.01 -0.05 0.00 -1.33 0.00 0.00 58.87 57.41 1e9j n SER 34 Cb 0.62 -2.76 0.12 0.00 -0.75 0.00 0.00 64.21 61.44 1e9j n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1e9j n ARG 35 N -1.17 1.28 -3.60 -1.46 1.74 -1.26 -5.10 116.66 107.09 1e9j n ARG 35 Ca 0.01 -1.62 -0.00 0.00 -0.77 0.00 0.00 57.85 55.47 1e9j n ARG 35 Cb 0.45 0.11 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 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 0.02 -2.08 -0.45 7.54 0.00 -1.26 -5.11 121.76 120.43 1e9j s ALA 36 Ca 0.17 2.30 0.06 0.00 0.00 0.00 0.00 51.96 54.48 1e9j s ALA 36 Cb 0.42 -1.82 0.18 0.00 0.00 0.00 0.00 23.12 21.90 1e9j s ALA 36 CO -0.10 -0.97 0.58 0.71 0.00 0.00 0.00 175.76 175.98 1e9j s TYR 37 N 2.89 -0.99 0.19 0.00 2.02 -1.26 -5.16 117.35 115.04 1e9j s TYR 37 Ca -0.03 -0.70 -0.03 0.00 -0.37 0.00 0.00 57.07 55.94 1e9j s TYR 37 Cb -0.12 -0.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1e9j s TYR 37 CO -0.19 -1.13 0.21 -0.35 -1.57 0.00 0.00 175.55 172.52 1e9j n PRO 38 N 3.50 -0.82 -3.64 -1.71 -0.04 -1.26 -5.03 135.00 126.01 1e9j n PRO 38 Ca 0.17 -0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1e9j n PRO 38 Cb 0.53 -0.26 -0.07 0.00 -0.04 0.00 0.00 33.50 33.66 1e9j n PRO 38 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1e9j s THR 39 N -1.42 0.00 -0.14 0.52 -1.32 -1.26 -5.04 115.64 106.98 1e9j s THR 39 Ca 0.13 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1e9j s THR 39 Cb -0.01 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.16 1e9j s THR 39 CO 0.09 0.00 1.40 -0.81 -2.21 0.00 0.00 174.62 173.10 1e9j n PRO 40 N 2.84 1.38 -0.94 7.08 -0.04 -1.26 -4.86 135.00 139.19 1e9j n PRO 40 Ca -0.15 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1e9j n PRO 40 Cb 0.56 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1e9j n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e9j n LEU 41 N 0.18 0.00 -3.84 1.53 4.77 -1.26 -5.15 117.00 113.23 1e9j n LEU 41 Ca 0.17 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1e9j n LEU 41 Cb 0.78 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.75 1e9j n LEU 41 CO 0.18 -0.26 -0.20 -0.60 -1.33 0.00 0.00 177.39 175.18 1e9j s ARG 42 N -0.79 0.25 -0.05 3.23 3.52 -1.26 -5.05 118.95 118.80 1e9j s ARG 42 Ca 0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 1e9j s ARG 42 Cb 0.00 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 1e9j s ARG 42 CO 0.00 -0.04 0.09 -1.13 -0.81 0.00 0.00 175.30 173.40 1e9j n SER 43 N 2.56 -5.16 0.00 -2.12 3.41 -1.26 -5.01 113.62 106.04 1e9j n SER 43 Ca -0.15 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1e9j n SER 43 Cb 0.58 -4.53 0.00 0.00 -0.26 0.00 0.00 64.21 60.00 1e9j n SER 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1e9j n LYS 44 N 1.48 0.00 -2.48 4.33 4.81 -1.26 -5.12 118.16 119.92 1e9j n LYS 44 Ca -0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.27 1e9j n LYS 44 Cb 0.23 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.25 1e9j n LYS 44 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1e9j n LYS 45 N 0.00 -5.00 0.00 1.64 5.02 -1.26 -4.99 118.16 113.57 1e9j n LYS 45 Ca 0.00 3.68 0.00 0.00 -2.02 0.00 0.00 58.31 59.97 1e9j n LYS 45 Cb 0.00 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.07 1e9j n LYS 45 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1e9j n THR 46 N 1.80 0.36 -0.98 -0.18 -2.24 -1.26 -4.73 114.28 107.06 1e9j n THR 46 Ca -0.20 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.25 1e9j n THR 46 Cb 0.31 0.90 0.32 0.00 -2.10 0.00 0.00 70.33 69.76 1e9j n THR 46 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1e9j n MET 47 N -0.18 3.66 -0.54 -0.78 2.81 -1.26 -4.41 117.12 116.42 1e9j n MET 47 Ca 0.00 -2.99 0.08 0.00 -1.81 0.00 0.00 57.70 52.98 1e9j n MET 47 Cb 0.35 -2.02 0.31 0.00 -0.71 0.00 0.00 33.22 31.15 1e9j n MET 47 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1e9j n LEU 48 N -0.10 4.16 -4.67 4.03 0.00 -1.26 -4.96 117.00 114.20 1e9j n LEU 48 Ca 0.25 -2.10 -0.49 0.00 0.00 0.00 0.00 56.01 53.67 1e9j n LEU 48 Cb 1.03 -0.54 -0.05 0.00 0.00 0.00 0.00 43.42 43.87 1e9j n LEU 48 CO 0.23 0.69 1.51 1.33 0.00 0.00 0.00 177.39 181.15 1e9j n VAL 49 N 0.91 0.54 0.00 1.96 0.24 -1.26 -4.49 118.33 116.23 1e9j n VAL 49 Ca 0.22 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1e9j n VAL 49 Cb 0.79 -1.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 1e9j n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1e9j n GLN 50 N 6.73 0.00 0.00 7.34 6.02 -1.26 -4.78 117.38 131.43 1e9j n GLN 50 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1e9j n GLN 50 Cb 0.29 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1e9j n GLN 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1e9j n LYS 51 N 0.00 0.00 -2.03 -1.09 4.81 -1.26 -5.15 118.16 113.44 1e9j n LYS 51 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1e9j n LYS 51 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1e9j n LYS 51 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1e9j s ASN 52 N 0.00 6.08 0.03 3.14 0.01 -1.26 -5.02 114.94 117.91 1e9j s ASN 52 Ca 0.00 2.62 0.02 0.00 -0.71 0.00 0.00 52.86 54.80 1e9j s ASN 52 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1e9j s ASN 52 CO 0.00 -1.01 0.01 0.54 -1.51 0.00 0.00 177.10 175.13 1e9j s VAL 53 N -1.32 4.16 0.56 1.60 0.11 -1.26 -4.98 120.40 119.26 1e9j s VAL 53 Ca 0.61 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1e9j s VAL 53 Cb -0.37 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1e9j s VAL 53 CO 0.46 0.29 0.00 0.41 -3.33 0.00 0.00 175.10 172.93 1e9j n THR 54 N 1.09 -5.35 0.00 5.04 -1.04 -1.26 -5.09 114.28 107.67 1e9j n THR 54 Ca -0.13 2.47 0.00 0.00 -2.04 0.00 0.00 64.05 64.35 1e9j n THR 54 Cb 0.52 -3.43 0.00 0.00 -1.82 0.00 0.00 70.33 65.60 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 -1.02 0.00 -2.75 8.00 7.64 -1.26 -5.18 113.62 119.05 1e9j n SER 55 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1e9j n SER 55 Cb 0.04 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1e9j n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1e9j n GLU 56 N 0.00 -0.01 -0.22 1.43 1.02 -1.26 -4.90 120.64 116.71 1e9j n GLU 56 Ca 0.00 -0.81 -0.09 0.00 -0.02 0.00 0.00 57.16 56.25 1e9j n GLU 56 Cb 0.00 -0.33 -0.01 0.00 -0.02 0.00 0.00 31.44 31.07 1e9j n GLU 56 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1e9j n SER 57 N -3.12 0.14 -4.71 1.62 7.64 -1.26 -4.77 113.62 109.16 1e9j n SER 57 Ca 0.06 0.15 -0.23 0.00 1.01 0.00 0.00 58.87 59.86 1e9j n SER 57 Cb 0.20 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.35 3.34 -0.05 0.44 -4.23 -1.26 -4.30 115.64 109.93 1e9j s THR 58 Ca 0.13 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1e9j s THR 58 Cb -0.19 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.69 1e9j s THR 58 CO 0.10 -0.27 -0.03 0.00 -0.54 0.00 0.00 174.62 173.89 1e9j s VAL 61 N 6.70 4.52 0.00 0.00 1.01 -1.21 -4.68 120.40 126.75 1e9j s VAL 61 Ca 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1e9j s VAL 61 Cb 0.11 -5.03 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1e9j s VAL 61 CO 0.14 -1.80 0.00 0.00 0.00 0.00 0.00 175.10 173.44 1e9j n ALA 62 N 7.17 -0.04 -0.36 5.51 0.00 -1.25 -4.50 120.51 127.03 1e9j n ALA 62 Ca 0.40 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.90 1e9j n ALA 62 Cb 0.46 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.13 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 0.08 1.01 -5.06 0.00 3.64 0.97 -3.43 116.57 113.79 1e9j h LYS 63 Ca 0.00 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.76 1e9j h LYS 63 Cb 0.00 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 31.46 1e9j h LYS 63 CO 0.00 0.67 -0.52 -1.12 -2.27 0.00 0.00 179.45 176.21 1e9j s SER 64 N -5.75 2.83 0.02 4.20 0.01 -0.77 -4.93 113.70 109.31 1e9j s SER 64 Ca -0.12 -1.66 -0.28 0.00 1.31 0.00 0.00 55.95 55.20 1e9j s SER 64 Cb 0.22 0.48 0.07 0.00 0.21 0.00 0.00 66.02 67.00 1e9j s SER 64 CO 0.81 -0.91 0.68 -0.72 0.41 0.00 0.00 173.24 173.50 1e9j s TYR 65 N -3.20 -0.59 -0.14 2.43 -0.85 -1.25 -3.29 117.35 110.46 1e9j s TYR 65 Ca 0.24 0.78 0.16 0.00 -0.52 0.00 0.00 57.07 57.73 1e9j s TYR 65 Cb 0.03 0.47 0.43 0.00 0.38 0.00 0.00 41.96 43.26 1e9j s TYR 65 CO 0.14 -0.68 1.20 -1.71 -1.52 0.00 0.00 175.55 172.98 1e9j n ASN 66 N 0.40 1.53 0.00 -0.18 5.15 0.18 -4.77 115.26 117.56 1e9j n ASN 66 Ca -0.17 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.60 1e9j n ASN 66 Cb 0.60 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1e9j n ARG 67 N -0.53 0.00 -2.74 1.20 1.85 -1.22 -3.81 116.66 111.40 1e9j n ARG 67 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.95 1e9j n ARG 67 Cb 0.86 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.33 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 0.93 0.00 8.89 0.24 -1.26 -4.59 118.33 122.54 1e9j n VAL 68 Ca 0.00 -2.68 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 1e9j n VAL 68 Cb 0.00 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.46 0.00 -4.10 3.34 -1.04 -1.25 -4.79 114.28 105.97 1e9j n THR 69 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.01 1e9j n THR 69 Cb 0.82 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.32 1e9j n THR 69 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1e9j n VAL 70 N 0.00 0.00 0.00 12.58 0.24 -1.16 -4.72 118.33 125.28 1e9j n VAL 70 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1e9j n VAL 70 Cb 0.00 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.18 0.00 -0.68 7.34 2.81 -1.26 0.36 117.12 125.52 1e9j n MET 71 Ca -0.02 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.77 1e9j n MET 71 Cb 0.10 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.63 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 3.35 0.07 3.03 0.00 -1.26 -4.55 105.19 105.84 1e9j n GLY 72 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.67 1.25 2.28 -0.02 0.00 0.25 -5.09 105.19 104.53 1e9j n GLY 73 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.78 -2.10 -2.98 1.61 3.01 1.12 -4.58 117.46 111.76 1e9j n PHE 74 Ca 0.00 -0.01 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1e9j n PHE 74 Cb 0.01 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.45 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 -2.96 0.95 0.00 -1.08 1.02 -1.26 -2.96 119.74 113.45 1e9j s LYS 75 Ca 0.24 -0.67 0.09 0.00 0.02 0.00 0.00 55.97 55.65 1e9j s LYS 75 Cb -0.04 0.02 0.44 0.00 -0.52 0.00 0.00 37.83 37.73 1e9j s LYS 75 CO 0.20 -1.26 1.30 1.33 -0.92 0.00 0.00 175.35 176.00 1e9j n VAL 76 N 3.66 0.10 -2.55 3.17 0.24 -1.26 -4.84 118.33 116.85 1e9j n VAL 76 Ca 0.15 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 1e9j n VAL 76 Cb 0.57 -0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 1e9j n VAL 76 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1e9j n GLU 77 N -0.32 -0.94 -0.59 7.34 4.07 -1.26 -0.70 120.64 128.24 1e9j n GLU 77 Ca 0.08 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1e9j n GLU 77 Cb 0.10 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 1e9j n GLU 77 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1e9j n ASN 78 N -0.26 0.00 -4.47 4.31 2.85 -1.25 -0.98 115.26 115.46 1e9j n ASN 78 Ca -0.00 0.00 -0.55 0.00 -0.11 0.00 0.00 54.58 53.92 1e9j n ASN 78 Cb 0.15 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.09 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 -0.13 1.61 0.56 1.20 8.25 0.12 0.47 115.22 127.31 1e9j n HIS 79 Ca 0.00 0.46 0.07 0.00 -0.26 0.00 0.00 57.72 57.99 1e9j n HIS 79 Cb 0.00 -2.46 -0.09 0.00 1.12 0.00 0.00 29.99 28.56 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 6.40 0.00 -3.73 1.59 -2.24 -1.21 -4.88 114.28 110.21 1e9j n THR 80 Ca 0.41 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.87 1e9j n THR 80 Cb 0.14 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.51 -1.04 0.28 6.98 0.00 -1.24 -4.87 121.76 119.36 1e9j s ALA 81 Ca 0.03 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1e9j s ALA 81 Cb 0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1e9j s ALA 81 CO 0.61 -0.21 -0.08 0.00 0.00 0.00 0.00 175.76 176.08 1e9j s HIS 83 N -2.91 -0.46 0.01 0.00 -3.43 -1.26 -4.26 115.29 102.98 1e9j s HIS 83 Ca 0.29 0.52 -0.30 0.00 -0.80 0.00 0.00 55.06 54.77 1e9j s HIS 83 Cb 0.03 0.17 -0.08 0.00 -1.43 0.00 0.00 32.58 31.27 1e9j s HIS 83 CO 0.12 -0.25 1.89 0.00 -2.00 0.00 0.00 174.74 174.50 1e9j s SER 85 N 4.20 -0.40 0.10 0.00 1.04 -0.24 -4.67 113.70 113.73 1e9j s SER 85 Ca 0.85 0.73 -0.28 0.00 0.48 0.00 0.00 55.95 57.72 1e9j s SER 85 Cb -0.40 0.88 -0.16 0.00 0.10 0.00 0.00 66.02 66.44 1e9j s SER 85 CO 0.38 -0.12 0.63 1.07 0.98 0.00 0.00 173.24 176.18 1e9j n THR 86 N 2.61 1.05 -4.37 2.02 5.66 -1.26 -3.08 114.28 116.91 1e9j n THR 86 Ca -0.14 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 1e9j n THR 86 Cb 0.57 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.23 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e9j s TYR 88 N -1.78 3.02 0.00 0.00 -0.85 -1.26 -5.08 117.35 111.40 1e9j s TYR 88 Ca 0.17 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 1e9j s TYR 88 Cb -0.07 -1.92 0.00 0.00 0.38 0.00 0.00 41.96 40.34 1e9j s TYR 88 CO 0.08 0.06 0.00 0.66 -1.52 0.00 0.00 175.55 174.83 1e9j n TYR 89 N -1.53 0.00 -1.72 -3.49 4.01 -1.26 -5.02 117.16 108.15 1e9j n TYR 89 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1e9j n TYR 89 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1e9j n TYR 89 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1e9j n HIS 90 N -0.81 0.00 0.07 -0.72 -0.00 -1.26 -4.92 115.22 107.59 1e9j n HIS 90 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1e9j n HIS 90 Cb 0.00 0.03 -0.08 0.00 -0.12 0.00 0.00 29.99 29.82 1e9j n HIS 90 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1e9j h LYS 91 N 0.00 -0.14 0.00 1.57 1.63 -2.00 -3.58 116.57 114.04 1e9j h LYS 91 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1e9j h LYS 91 Cb 1.19 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1e9j h LYS 91 CO 0.00 0.06 0.00 0.43 -3.45 0.00 0.00 179.45 176.49