#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 -0.39 -1.27 0.00 -0.01 -1.26 -4.53 135.00 127.54 1e9j n PRO 2 Ca 0.00 1.41 -0.35 0.00 -0.01 0.00 0.00 63.50 64.54 1e9j n PRO 2 Cb 0.00 -2.07 0.09 0.00 -0.01 0.00 0.00 33.50 31.51 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 1e9j n ASP 3 N -5.18 0.11 -1.23 2.55 5.75 -1.26 -5.03 116.55 112.25 1e9j n ASP 3 Ca 0.02 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 1e9j n ASP 3 Cb 0.25 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 1e9j n ASP 3 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1e9j n VAL 4 N -2.66 0.00 -4.12 2.12 0.31 -1.26 -4.87 118.33 107.85 1e9j n VAL 4 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.14 1e9j n VAL 4 Cb 0.50 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 1e9j n VAL 4 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1e9j n GLN 5 N 0.00 -0.79 -1.46 5.55 -0.06 -1.26 -4.61 117.38 114.75 1e9j n GLN 5 Ca 0.00 0.06 -0.59 0.00 -2.00 0.00 0.00 57.00 54.47 1e9j n GLN 5 Cb 0.00 -2.96 -0.10 0.00 -4.06 0.00 0.00 30.24 23.12 1e9j n GLN 5 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1e9j n ASP 6 N -2.40 1.40 -1.58 1.69 2.03 -1.26 -4.37 116.55 112.07 1e9j n ASP 6 Ca -0.25 0.78 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1e9j n ASP 6 Cb 0.60 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -1.76 2.32 -1.37 0.00 -0.04 -1.26 -5.02 135.00 127.86 1e9j n PRO 8 Ca 0.00 -1.38 0.18 0.00 -0.04 0.00 0.00 63.50 62.26 1e9j n PRO 8 Cb 0.22 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.09 -2.84 -4.26 0.54 2.13 -1.25 -4.85 120.64 110.20 1e9j n GLU 9 Ca 0.18 2.05 -0.28 0.00 0.66 0.00 0.00 57.16 59.77 1e9j n GLU 9 Cb 0.80 -3.45 -0.09 0.00 0.27 0.00 0.00 31.44 28.97 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 0.21 0.00 -3.70 0.00 5.66 -1.09 -4.91 114.28 110.46 1e9j n THR 11 Ca -0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.77 1e9j n THR 11 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.01 -0.61 1.09 1.02 -1.26 -3.50 118.68 115.41 1e9j s LEU 12 Ca 0.00 0.94 0.06 0.00 0.02 0.00 0.00 54.13 55.14 1e9j s LEU 12 Cb 0.00 1.48 0.29 0.00 0.02 0.00 0.00 46.19 47.98 1e9j s LEU 12 CO 0.00 -0.18 0.82 0.00 0.02 0.00 0.00 176.35 177.01 1e9j n GLN 13 N 3.76 2.75 0.00 1.70 3.00 -0.22 -4.81 117.38 123.57 1e9j n GLN 13 Ca -0.20 -4.70 0.00 0.00 -0.01 0.00 0.00 57.00 52.09 1e9j n GLN 13 Cb 0.56 -2.22 0.00 0.00 0.00 0.00 0.00 30.24 28.58 1e9j n GLN 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1e9j n GLU 14 N 0.43 0.00 -2.55 -1.09 2.13 -1.26 -4.32 120.64 113.97 1e9j n GLU 14 Ca 0.30 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.70 1e9j n GLU 14 Cb 0.41 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.09 1e9j n GLU 14 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1e9j s ASN 15 N 0.00 6.40 -0.01 4.31 -0.87 1.26 -4.76 114.94 121.26 1e9j s ASN 15 Ca 0.00 0.12 0.03 0.00 -1.57 0.00 0.00 52.86 51.44 1e9j s ASN 15 Cb 0.00 -2.55 0.12 0.00 -0.02 0.00 0.00 41.25 38.79 1e9j s ASN 15 CO 0.00 -1.52 0.97 -0.81 -2.57 0.00 0.00 177.10 173.16 1e9j n PRO 16 N 8.51 1.40 -0.05 -0.60 -0.05 -1.26 -3.01 135.00 139.94 1e9j n PRO 16 Ca 0.09 -0.47 -0.06 0.00 -0.05 0.00 0.00 63.50 63.01 1e9j n PRO 16 Cb 0.49 -1.27 -0.02 0.00 -0.05 0.00 0.00 33.50 32.66 1e9j n PRO 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1e9j n PHE 17 N -0.06 0.00 0.30 0.54 -0.00 -1.26 -4.48 117.46 112.50 1e9j n PHE 17 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.57 1e9j n PHE 17 Cb 0.20 -0.31 0.37 0.00 -0.00 0.00 0.00 39.48 39.74 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 -3.83 0.42 -1.26 -5.13 3.01 -1.25 -4.77 117.46 104.65 1e9j n PHE 18 Ca -0.09 0.18 -0.59 0.00 1.01 0.00 0.00 57.45 57.97 1e9j n PHE 18 Cb 0.32 -0.80 -0.12 0.00 -0.01 0.00 0.00 39.48 38.87 1e9j n PHE 18 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1e9j n SER 19 N -1.90 0.73 -4.16 4.37 3.41 -1.16 -4.76 113.62 110.15 1e9j n SER 19 Ca 0.01 0.66 -0.23 0.00 -0.26 0.00 0.00 58.87 59.05 1e9j n SER 19 Cb 0.13 -0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 63.15 1e9j n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9j n GLN 20 N 7.55 0.94 -0.51 4.33 10.64 0.04 -4.95 117.38 135.42 1e9j n GLN 20 Ca 0.55 -2.79 -0.28 0.00 -1.83 0.00 0.00 57.00 52.66 1e9j n GLN 20 Cb -0.04 0.52 -0.07 0.00 -0.86 0.00 0.00 30.24 29.79 1e9j n GLN 20 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1e9j n PRO 21 N -1.27 0.00 0.00 2.61 -0.02 -1.26 -1.79 135.00 133.28 1e9j n PRO 21 Ca -0.09 -0.70 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 1e9j n PRO 21 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 4.46 0.96 3.15 -1.23 0.00 -1.26 -5.12 105.19 106.14 1e9j n GLY 22 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.81 -2.84 -1.02 4.61 0.00 -0.74 -5.09 121.76 114.87 1e9j s ALA 23 Ca 0.00 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 1e9j s ALA 23 Cb 0.00 -2.41 0.25 0.00 0.00 0.00 0.00 23.12 20.96 1e9j s ALA 23 CO 0.00 -1.55 0.98 -1.25 0.00 0.00 0.00 175.76 173.94 1e9j s PRO 24 N 2.89 3.85 0.34 0.00 0.04 -1.26 -0.78 135.00 140.09 1e9j s PRO 24 Ca 0.13 -3.18 -0.01 0.00 0.04 0.00 0.00 61.00 57.98 1e9j s PRO 24 Cb -0.11 -4.35 0.01 0.00 0.04 0.00 0.00 34.50 30.10 1e9j s PRO 24 CO -0.19 -1.25 0.03 -0.89 0.04 0.00 0.00 177.00 174.74 1e9j n ILE 25 N 2.67 0.00 -3.42 0.56 2.08 -1.20 -4.10 119.36 115.95 1e9j n ILE 25 Ca 0.22 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1e9j n ILE 25 Cb 0.39 -0.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 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 0.39 117.00 122.29 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 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1e9j n LEU 26 CO 0.01 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.74 1e9j n GLN 27 N 0.00 0.00 -1.62 3.23 7.27 -1.26 -4.46 117.38 120.54 1e9j n GLN 27 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1e9j n GLN 27 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 8.13 3.42 0.00 0.00 1.75 -1.25 -4.70 119.30 126.65 1e9j s MET 29 Ca 0.94 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 55.17 1e9j s MET 29 Cb -0.16 -3.12 0.00 0.00 2.84 0.00 0.00 34.83 34.39 1e9j s MET 29 CO 0.25 0.71 0.00 0.41 -0.65 0.00 0.00 175.02 175.73 1e9j n GLY 30 N 2.20 0.43 3.57 2.11 0.00 -1.25 -2.65 105.19 109.60 1e9j n GLY 30 Ca -0.19 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 4.52 2.64 -4.04 0.00 -1.74 -1.26 -4.91 117.46 112.67 1e9j n PHE 33 Ca -0.12 -1.43 -0.40 0.00 -0.56 0.00 0.00 57.45 54.94 1e9j n PHE 33 Cb 0.43 -0.78 0.01 0.00 1.52 0.00 0.00 39.48 40.66 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1e9j n SER 34 N -0.53 -3.25 0.00 5.98 3.41 -1.26 -4.81 113.62 113.16 1e9j n SER 34 Ca 0.47 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1e9j n SER 34 Cb 1.48 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1e9j n SER 34 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1e9j n ARG 35 N -4.43 0.50 0.00 4.33 0.63 -1.26 -4.94 116.66 111.49 1e9j n ARG 35 Ca -0.10 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 56.23 1e9j n ARG 35 Cb 0.48 -0.62 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1e9j n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1e9j n ALA 36 N -0.09 0.00 -0.24 5.13 0.00 -1.26 -4.53 120.51 119.52 1e9j n ALA 36 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1e9j n ALA 36 Cb 0.38 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 -0.25 -3.30 0.00 0.05 -2.03 -3.41 116.97 108.03 1e9j h TYR 37 Ca 0.00 0.06 -0.57 0.00 0.05 0.00 0.00 58.73 58.26 1e9j h TYR 37 Cb 0.00 0.22 0.13 0.00 1.01 0.00 0.00 36.73 38.09 1e9j h TYR 37 CO 0.00 -0.27 0.29 -2.30 -1.05 0.00 0.00 178.16 174.83 1e9j n PRO 38 N -5.41 1.51 -3.32 4.88 -0.02 -1.26 -5.01 135.00 126.37 1e9j n PRO 38 Ca 0.10 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1e9j n PRO 38 Cb 0.38 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1e9j n PRO 38 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1e9j s THR 39 N -1.27 -0.62 -0.42 3.45 2.01 -1.26 -4.70 115.64 112.82 1e9j s THR 39 Ca 0.64 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.13 1e9j s THR 39 Cb -0.52 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1e9j s THR 39 CO 0.56 -0.24 2.18 -2.16 -0.69 0.00 0.00 174.62 174.26 1e9j s PRO 40 N 2.54 2.62 0.13 4.92 0.04 -1.26 -4.97 135.00 139.02 1e9j s PRO 40 Ca 0.11 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1e9j s PRO 40 Cb -0.13 -4.44 -0.04 0.00 0.04 0.00 0.00 34.50 29.93 1e9j s PRO 40 CO -0.26 -2.69 0.09 -1.17 0.04 0.00 0.00 177.00 173.00 1e9j s LEU 41 N 9.94 3.72 0.00 -3.56 1.98 -1.26 -5.12 118.68 124.38 1e9j s LEU 41 Ca 0.90 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 1e9j s LEU 41 Cb -0.21 -2.38 0.00 0.00 0.66 0.00 0.00 46.19 44.26 1e9j s LEU 41 CO 0.28 0.12 0.00 -2.11 -1.89 0.00 0.00 176.35 172.75 1e9j n ARG 42 N 0.06 0.00 0.00 1.98 -4.01 -1.26 -4.82 116.66 108.61 1e9j n ARG 42 Ca -0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.72 1e9j n ARG 42 Cb 0.53 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.95 1e9j n ARG 42 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1e9j n SER 43 N -2.18 0.00 -3.57 2.89 3.41 -1.26 -4.80 113.62 108.11 1e9j n SER 43 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1e9j n SER 43 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.00 0.47 0.31 4.33 0.00 -1.26 -5.15 119.74 118.44 1e9j s LYS 44 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 55.97 57.04 1e9j s LYS 44 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 37.83 38.34 1e9j s LYS 44 CO 0.00 -0.14 0.00 0.36 0.00 0.00 0.00 175.35 175.57 1e9j n LYS 45 N 4.88 -2.38 -2.71 1.78 2.85 -1.26 -4.91 118.16 116.40 1e9j n LYS 45 Ca -0.13 1.64 -0.08 0.00 -1.05 0.00 0.00 58.31 58.69 1e9j n LYS 45 Cb 0.53 -2.89 0.10 0.00 -0.65 0.00 0.00 35.03 32.12 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1e9j n THR 46 N -3.71 0.00 0.00 0.58 -1.04 -1.26 -4.54 114.28 104.32 1e9j n THR 46 Ca -0.00 -1.30 0.00 0.00 -2.04 0.00 0.00 64.05 60.71 1e9j n THR 46 Cb 0.53 1.37 0.00 0.00 -1.82 0.00 0.00 70.33 70.41 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 0.34 1.04 -3.85 -2.82 0.00 -1.26 -4.93 117.12 105.65 1e9j n MET 47 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.35 1e9j n MET 47 Cb 0.72 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.97 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 -1.78 -3.85 -0.89 7.99 -1.26 -4.97 117.00 112.24 1e9j n LEU 48 Ca 0.00 -1.13 -0.12 0.00 -0.01 0.00 0.00 56.01 54.75 1e9j n LEU 48 Cb 0.00 -2.08 -0.10 0.00 -0.11 0.00 0.00 43.42 41.13 1e9j n LEU 48 CO 0.00 0.61 -0.16 0.54 -1.51 0.00 0.00 177.39 176.88 1e9j s VAL 49 N -3.50 0.06 -1.08 4.08 0.11 -1.26 -4.75 120.40 114.06 1e9j s VAL 49 Ca 0.48 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1e9j s VAL 49 Cb -0.21 -0.40 0.31 0.00 -1.53 0.00 0.00 36.38 34.55 1e9j s VAL 49 CO 0.91 -0.28 1.50 0.00 -3.33 0.00 0.00 175.10 173.90 1e9j n GLN 50 N 1.81 4.52 0.00 1.54 6.02 -1.26 -4.98 117.38 125.03 1e9j n GLN 50 Ca -0.20 -4.56 0.00 0.00 -0.01 0.00 0.00 57.00 52.23 1e9j n GLN 50 Cb 0.56 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 29.31 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 1.28 0.00 -2.77 -1.09 4.81 -1.26 -4.92 118.16 114.21 1e9j n LYS 51 Ca 0.27 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.32 1e9j n LYS 51 Cb 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.32 1e9j n LYS 51 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1e9j s ASN 52 N -3.34 7.46 -0.29 3.14 2.20 -1.26 -5.05 114.94 117.80 1e9j s ASN 52 Ca 0.00 1.88 -0.23 0.00 -0.94 0.00 0.00 52.86 53.57 1e9j s ASN 52 Cb 0.00 -2.59 0.16 0.00 -2.00 0.00 0.00 41.25 36.82 1e9j s ASN 52 CO 0.00 0.02 1.18 0.54 -2.94 0.00 0.00 177.10 175.90 1e9j s VAL 53 N -1.45 0.00 -0.08 3.54 0.11 -1.26 -5.06 120.40 116.21 1e9j s VAL 53 Ca 0.47 0.00 0.21 0.00 -2.93 0.00 0.00 61.98 59.73 1e9j s VAL 53 Cb -0.21 -1.00 0.43 0.00 -1.53 0.00 0.00 36.38 34.07 1e9j s VAL 53 CO 0.27 0.00 1.18 0.41 -3.33 0.00 0.00 175.10 173.63 1e9j n THR 54 N 2.35 0.73 0.00 5.04 -1.04 -1.26 -5.05 114.28 115.04 1e9j n THR 54 Ca -0.13 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.08 1e9j n THR 54 Cb 0.56 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.71 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 -0.03 0.00 -2.00 8.00 7.64 -1.26 -4.80 113.62 121.17 1e9j n SER 55 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1e9j n SER 55 Cb 1.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1e9j n SER 55 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1e9j n GLU 56 N 0.00 -0.41 -1.65 1.43 4.07 -1.26 -4.64 120.64 118.17 1e9j n GLU 56 Ca 0.00 0.30 -0.01 0.00 -0.06 0.00 0.00 57.16 57.39 1e9j n GLU 56 Cb 0.00 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 1e9j n GLU 56 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1e9j n SER 57 N 1.96 -2.43 -2.71 4.31 2.88 -1.26 -5.08 113.62 111.29 1e9j n SER 57 Ca 0.00 -0.05 -0.06 0.00 -1.33 0.00 0.00 58.87 57.43 1e9j n SER 57 Cb 0.00 -1.01 0.03 0.00 -0.75 0.00 0.00 64.21 62.48 1e9j n SER 57 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1e9j n THR 58 N -1.54 0.00 0.00 2.46 -2.24 -1.26 -4.60 114.28 107.10 1e9j n THR 58 Ca -0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1e9j n THR 58 Cb 0.51 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1e9j n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j n VAL 61 N 6.00 1.54 -1.63 0.00 0.24 -1.17 -4.91 118.33 118.39 1e9j n VAL 61 Ca 0.01 -4.84 0.00 0.00 -2.04 0.00 0.00 64.34 57.47 1e9j n VAL 61 Cb 0.48 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.06 -1.00 -0.35 2.33 0.00 -1.25 -4.73 120.51 115.44 1e9j n ALA 62 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.77 1e9j n ALA 62 Cb 0.57 -0.40 0.22 0.00 0.00 0.00 0.00 19.45 19.85 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 3.83 0.95 -2.97 0.00 3.64 0.83 -3.37 116.57 119.48 1e9j h LYS 63 Ca 0.00 -0.06 -0.44 0.00 -1.27 0.00 0.00 60.65 58.88 1e9j h LYS 63 Cb 0.00 -0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 31.20 1e9j h LYS 63 CO 0.00 0.63 -0.74 -1.12 -2.27 0.00 0.00 179.45 175.95 1e9j s SER 64 N -5.70 2.26 0.33 4.20 0.01 -0.85 -4.92 113.70 109.04 1e9j s SER 64 Ca -0.12 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1e9j s SER 64 Cb 0.22 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 1e9j s SER 64 CO 0.80 -0.35 0.51 -0.72 0.41 0.00 0.00 173.24 173.89 1e9j s TYR 65 N 2.16 3.40 -0.07 2.43 1.13 -1.25 0.30 117.35 125.45 1e9j s TYR 65 Ca 0.03 0.17 0.16 0.00 -1.41 0.00 0.00 57.07 56.03 1e9j s TYR 65 Cb -0.16 -1.89 0.33 0.00 -1.10 0.00 0.00 41.96 39.15 1e9j s TYR 65 CO -0.11 0.11 1.15 0.09 -2.51 0.00 0.00 175.55 174.29 1e9j n ASN 66 N -1.72 1.17 0.00 -0.18 4.13 0.19 -4.75 115.26 114.11 1e9j n ASN 66 Ca -0.04 -2.65 0.00 0.00 1.68 0.00 0.00 54.58 53.56 1e9j n ASN 66 Cb 0.57 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 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 -0.26 0.00 -1.91 3.52 1.85 -1.21 -3.92 116.66 114.73 1e9j n ARG 67 Ca 0.10 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.68 1e9j n ARG 67 Cb 0.88 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.32 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 2.77 0.00 8.89 0.24 -1.26 -4.67 118.33 124.30 1e9j n VAL 68 Ca 0.00 -4.01 0.00 0.00 -2.04 0.00 0.00 64.34 58.29 1e9j n VAL 68 Cb 0.00 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 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 -0.73 0.00 -3.95 3.34 -1.04 -1.26 -4.89 114.28 105.75 1e9j n THR 69 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1e9j n THR 69 Cb 0.86 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.31 12.58 0.31 -1.19 -4.78 118.33 124.94 1e9j n VAL 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1e9j n VAL 70 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -0.13 5.55 2.81 -1.26 0.24 117.12 124.32 1e9j n MET 71 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1e9j n MET 71 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 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 1.00 0.00 3.03 0.00 -1.26 -4.63 105.19 103.33 1e9j n GLY 72 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.33 1.61 2.56 -0.02 0.00 0.21 -5.14 105.19 104.74 1e9j n GLY 73 Ca 0.05 0.00 -0.20 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 0.00 -3.00 -3.64 1.61 3.01 0.64 -4.68 117.46 111.41 1e9j n PHE 74 Ca 0.00 -0.42 -0.09 0.00 1.01 0.00 0.00 57.45 57.94 1e9j n PHE 74 Cb 0.00 -1.06 -0.07 0.00 -0.01 0.00 0.00 39.48 38.34 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 -4.09 0.73 -0.01 -1.08 1.02 -1.26 -3.14 119.74 111.91 1e9j s LYS 75 Ca 0.44 1.09 0.01 0.00 0.02 0.00 0.00 55.97 57.54 1e9j s LYS 75 Cb -0.08 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 1e9j s LYS 75 CO 0.37 -0.13 0.75 1.33 -0.92 0.00 0.00 175.35 176.76 1e9j n VAL 76 N 3.64 0.38 -2.70 3.17 0.24 -1.26 -4.94 118.33 116.85 1e9j n VAL 76 Ca -0.18 -0.41 -0.17 0.00 -2.04 0.00 0.00 64.34 61.55 1e9j n VAL 76 Cb 0.57 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.23 -1.13 -0.02 7.34 4.07 -1.26 -1.32 120.64 128.09 1e9j n GLU 77 Ca 0.01 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1e9j n GLU 77 Cb 0.49 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 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 -0.85 0.00 -4.72 4.31 5.15 -1.25 -0.17 115.26 117.73 1e9j n ASN 78 Ca 0.05 0.00 -0.67 0.00 -0.60 0.00 0.00 54.58 53.35 1e9j n ASN 78 Cb 0.24 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.39 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 1.69 -0.01 1.20 8.25 -0.44 0.55 115.22 126.45 1e9j n HIS 79 Ca 0.00 1.14 0.07 0.00 -0.26 0.00 0.00 57.72 58.67 1e9j n HIS 79 Cb 0.00 -2.21 -0.13 0.00 1.12 0.00 0.00 29.99 28.77 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 3.84 0.08 -3.55 1.59 -2.24 0.87 -4.83 114.28 110.04 1e9j n THR 80 Ca 0.30 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1e9j n THR 80 Cb -0.05 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.10 -1.84 0.28 6.98 0.00 -0.48 -4.85 121.76 118.75 1e9j s ALA 81 Ca -0.06 1.46 0.10 0.00 0.00 0.00 0.00 51.96 53.46 1e9j s ALA 81 Cb 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1e9j s ALA 81 CO 0.69 -0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.95 1e9j s HIS 83 N -2.64 -0.77 -0.21 0.00 -3.43 -1.26 -4.30 115.29 102.67 1e9j s HIS 83 Ca 0.29 1.43 -0.19 0.00 -0.80 0.00 0.00 55.06 55.79 1e9j s HIS 83 Cb -0.02 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 1e9j s HIS 83 CO 0.14 -0.38 0.55 0.00 -2.00 0.00 0.00 174.74 173.04 1e9j n SER 85 N 4.97 0.00 -2.68 0.00 2.88 -0.15 -4.53 113.62 114.11 1e9j n SER 85 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1e9j n SER 85 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1e9j n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1e9j n THR 86 N -1.04 -1.54 -1.76 2.46 -2.24 -1.26 -4.67 114.28 104.22 1e9j n THR 86 Ca 0.00 0.36 0.02 0.00 -2.27 0.00 0.00 64.05 62.16 1e9j n THR 86 Cb 0.00 -2.40 0.03 0.00 -2.10 0.00 0.00 70.33 65.85 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1e9j s TYR 88 N -0.59 -0.08 -0.27 0.00 2.02 -1.26 -5.01 117.35 112.16 1e9j s TYR 88 Ca 0.06 -1.14 -0.24 0.00 -0.37 0.00 0.00 57.07 55.38 1e9j s TYR 88 Cb 0.06 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1e9j s TYR 88 CO 0.01 -0.96 0.41 0.66 -1.57 0.00 0.00 175.55 174.09 1e9j n TYR 89 N 3.87 -1.64 -2.65 2.71 4.02 -1.26 -4.92 117.16 117.29 1e9j n TYR 89 Ca 0.15 0.69 -0.04 0.00 -0.01 0.00 0.00 57.90 58.69 1e9j n TYR 89 Cb 0.46 -1.12 0.08 0.00 -0.02 0.00 0.00 39.34 38.74 1e9j n TYR 89 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1e9j n HIS 90 N -0.02 -0.08 1.24 -0.72 8.25 -1.26 -5.00 115.22 117.63 1e9j n HIS 90 Ca -0.05 -0.53 0.13 0.00 -0.26 0.00 0.00 57.72 57.00 1e9j n HIS 90 Cb 0.45 1.01 0.66 0.00 1.12 0.00 0.00 29.99 33.23 1e9j n HIS 90 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1e9j n LYS 91 N 1.50 0.38 0.00 -0.41 -0.00 -1.26 -4.81 118.16 113.56 1e9j n LYS 91 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1e9j n LYS 91 Cb 0.72 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 1e9j n LYS 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85