#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9j h PRO 2 N 0.00 -0.13 -4.13 0.00 0.11 -2.08 -3.50 132.00 122.26 1e9j h PRO 2 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1e9j h PRO 2 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1e9j h PRO 2 CO 0.00 -0.09 -0.95 -0.40 -0.21 0.00 0.00 178.00 176.35 1e9j n ASP 3 N -2.78 -9.36 -3.36 -2.05 5.68 -1.26 -4.93 116.55 98.48 1e9j n ASP 3 Ca -0.02 1.35 -0.08 0.00 -0.50 0.00 0.00 54.79 55.54 1e9j n ASP 3 Cb 0.05 -5.04 0.08 0.00 -1.14 0.00 0.00 41.12 35.07 1e9j n ASP 3 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1e9j n VAL 4 N 0.76 0.00 -2.73 2.12 0.24 -1.26 -4.77 118.33 112.69 1e9j n VAL 4 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1e9j n VAL 4 Cb 0.00 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.08 1e9j n VAL 4 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1e9j s GLN 5 N -2.52 3.43 -0.01 7.34 -0.21 -1.26 -5.00 119.66 121.44 1e9j s GLN 5 Ca 0.18 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1e9j s GLN 5 Cb -0.03 -4.81 -0.03 0.00 1.00 0.00 0.00 33.01 29.13 1e9j s GLN 5 CO 0.15 -1.99 -0.04 0.16 -2.12 0.00 0.00 175.29 171.44 1e9j s ASP 6 N 4.12 4.81 0.00 5.90 1.47 -1.26 -5.02 116.67 126.69 1e9j s ASP 6 Ca 0.35 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 54.01 1e9j s ASP 6 Cb -0.06 -1.18 0.00 0.00 -0.34 0.00 0.00 42.92 41.34 1e9j s ASP 6 CO -0.02 0.29 0.00 0.00 0.68 0.00 0.00 175.17 176.13 1e9j n PRO 8 N -0.87 0.83 -2.07 0.00 -0.02 -1.26 -4.92 135.00 126.68 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 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.23 -4.24 -1.04 -0.52 4.07 -1.26 -4.44 120.64 113.44 1e9j n GLU 9 Ca 0.00 3.01 -0.30 0.00 -0.06 0.00 0.00 57.16 59.81 1e9j n GLU 9 Cb 0.27 -3.53 -0.10 0.00 -0.06 0.00 0.00 31.44 28.01 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 5.22 0.00 -4.29 0.00 5.66 0.86 -4.68 114.28 117.05 1e9j n THR 11 Ca 0.46 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.27 1e9j n THR 11 Cb 0.02 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.65 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 1.88 -0.40 1.09 1.02 -1.26 0.13 118.68 121.14 1e9j s LEU 12 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 54.13 53.99 1e9j s LEU 12 Cb 0.00 -0.42 0.22 0.00 0.02 0.00 0.00 46.19 46.00 1e9j s LEU 12 CO 0.00 0.07 2.17 0.00 0.02 0.00 0.00 176.35 178.61 1e9j n GLN 13 N 3.12 2.05 0.00 1.70 6.02 -1.25 -4.18 117.38 124.84 1e9j n GLN 13 Ca -0.16 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.86 1e9j n GLN 13 Cb 0.56 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 0.28 0.00 -1.97 -1.09 2.13 -1.25 -4.37 120.64 114.36 1e9j n GLU 14 Ca 0.38 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.80 1e9j n GLU 14 Cb 0.58 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.26 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 5.52 0.00 4.31 3.84 1.16 -4.71 114.94 125.06 1e9j s ASN 15 Ca 0.00 0.93 0.10 0.00 0.21 0.00 0.00 52.86 54.10 1e9j s ASN 15 Cb 0.00 -2.52 0.49 0.00 -0.55 0.00 0.00 41.25 38.67 1e9j s ASN 15 CO 0.00 -2.07 1.34 -0.81 -2.79 0.00 0.00 177.10 172.77 1e9j n PRO 16 N 8.77 1.24 -0.06 0.43 -0.05 -1.26 -1.96 135.00 142.11 1e9j n PRO 16 Ca 0.23 -0.36 -0.06 0.00 -0.05 0.00 0.00 63.50 63.26 1e9j n PRO 16 Cb 0.49 -1.19 -0.02 0.00 -0.05 0.00 0.00 33.50 32.74 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 -0.30 0.03 0.16 0.54 -0.00 -1.26 -4.61 117.46 112.03 1e9j n PHE 17 Ca 0.08 0.01 0.01 0.00 -0.00 0.00 0.00 57.45 57.56 1e9j n PHE 17 Cb 0.11 -0.33 0.28 0.00 -0.00 0.00 0.00 39.48 39.54 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 -0.64 0.00 -0.30 -5.13 -1.00 -1.94 -3.46 116.94 104.48 1e9j h PHE 18 Ca 0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 1e9j h PHE 18 Cb 0.62 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 1e9j h PHE 18 CO -0.27 0.48 0.41 -1.13 -1.61 0.00 0.00 178.31 176.19 1e9j n SER 19 N -3.86 0.47 -4.86 2.17 3.41 -0.83 -4.79 113.62 105.34 1e9j n SER 19 Ca -0.01 0.46 -0.25 0.00 -0.26 0.00 0.00 58.87 58.80 1e9j n SER 19 Cb 0.52 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 2.35 0.66 -0.10 4.33 6.02 0.28 -4.93 117.38 125.99 1e9j n GLN 20 Ca 0.18 -3.42 -0.09 0.00 -0.01 0.00 0.00 57.00 53.66 1e9j n GLN 20 Cb -0.02 0.30 -0.02 0.00 1.02 0.00 0.00 30.24 31.51 1e9j n GLN 20 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1e9j n PRO 21 N -1.85 0.02 0.00 -1.09 -0.02 -1.26 -1.67 135.00 129.12 1e9j n PRO 21 Ca 0.00 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1e9j n PRO 21 Cb 0.63 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 4.18 1.45 3.15 -1.23 0.00 -1.26 -5.13 105.19 106.36 1e9j n GLY 22 Ca 0.09 0.00 0.05 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 -1.63 -2.88 -0.96 4.61 0.00 -0.67 -5.10 121.76 115.13 1e9j s ALA 23 Ca 0.00 1.63 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 1e9j s ALA 23 Cb 0.00 -2.34 0.24 0.00 0.00 0.00 0.00 23.12 21.02 1e9j s ALA 23 CO 0.00 -1.40 0.94 -1.25 0.00 0.00 0.00 175.76 174.04 1e9j s PRO 24 N 2.91 3.88 0.36 0.00 0.04 -1.26 0.10 135.00 141.02 1e9j s PRO 24 Ca 0.10 -2.79 -0.03 0.00 0.04 0.00 0.00 61.00 58.32 1e9j s PRO 24 Cb -0.12 -4.50 0.05 0.00 0.04 0.00 0.00 34.50 29.96 1e9j s PRO 24 CO -0.16 -1.28 0.10 -0.89 0.04 0.00 0.00 177.00 174.81 1e9j n ILE 25 N 3.44 0.00 -1.77 0.56 2.08 -1.23 -4.29 119.36 118.15 1e9j n ILE 25 Ca 0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.50 1e9j n ILE 25 Cb 0.44 -0.12 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 0.37 117.00 122.26 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 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1e9j n LEU 26 CO 0.05 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 177.78 1e9j n GLN 27 N 0.00 0.00 -1.66 3.23 7.27 -1.26 -4.28 117.38 120.67 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 s MET 29 N -0.47 2.34 2.61 0.00 1.75 0.35 -3.89 119.30 121.99 1e9j s MET 29 Ca 0.00 -1.69 0.00 0.00 -1.25 0.00 0.00 55.69 52.75 1e9j s MET 29 Cb 0.00 -2.13 0.00 0.00 2.84 0.00 0.00 34.83 35.54 1e9j s MET 29 CO 0.00 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 1e9j n GLY 30 N -1.28 -0.30 3.32 2.11 0.00 -1.26 0.30 105.19 108.07 1e9j n GLY 30 Ca -0.01 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.17 -3.57 0.00 0.00 3.72 -1.26 -5.06 117.46 111.12 1e9j n PHE 33 Ca 0.51 1.55 0.00 0.00 -0.05 0.00 0.00 57.45 59.46 1e9j n PHE 33 Cb 0.26 -3.83 0.00 0.00 -0.94 0.00 0.00 39.48 34.97 1e9j n PHE 33 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1e9j n SER 34 N 0.42 0.00 -4.44 4.37 3.41 -1.26 -5.09 113.62 111.04 1e9j n SER 34 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 1e9j n SER 34 Cb 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 1e9j n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1e9j s ARG 35 N -0.06 1.57 0.00 4.33 1.81 -1.26 -4.95 118.95 120.38 1e9j s ARG 35 Ca 0.00 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.25 1e9j s ARG 35 Cb 0.00 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.15 1e9j s ARG 35 CO 0.00 0.14 0.00 0.00 -0.68 0.00 0.00 175.30 174.76 1e9j n ALA 36 N -0.58 0.00 0.11 2.13 0.00 -1.26 -5.04 120.51 115.88 1e9j n ALA 36 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1e9j n ALA 36 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.29 0.00 0.00 0.05 -2.07 -3.46 116.97 111.20 1e9j h TYR 37 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1e9j h TYR 37 Cb 0.00 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1e9j h TYR 37 CO 0.00 -0.18 0.00 -2.30 -1.05 0.00 0.00 178.16 174.63 1e9j n PRO 38 N -3.29 2.96 -4.01 4.88 -0.02 -1.26 -5.01 135.00 129.24 1e9j n PRO 38 Ca -0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.13 1e9j n PRO 38 Cb 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.45 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 0.00 2.17 -0.93 3.45 2.01 -1.26 -5.05 115.64 116.02 1e9j s THR 39 Ca 0.00 -2.13 -0.22 0.00 0.31 0.00 0.00 61.69 59.65 1e9j s THR 39 Cb 0.00 -2.53 -0.24 0.00 0.01 0.00 0.00 72.50 69.74 1e9j s THR 39 CO 0.00 -0.47 2.46 -2.65 -0.69 0.00 0.00 174.62 173.27 1e9j n PRO 40 N 4.33 0.14 -2.69 4.92 -0.02 -1.26 -4.85 135.00 135.57 1e9j n PRO 40 Ca -0.00 -0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 1e9j n PRO 40 Cb 0.42 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1e9j n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1e9j s LEU 41 N 6.62 4.19 -0.20 2.45 1.02 -1.26 -4.89 118.68 126.61 1e9j s LEU 41 Ca 1.28 1.45 -0.09 0.00 0.02 0.00 0.00 54.13 56.79 1e9j s LEU 41 Cb -0.93 -3.53 0.08 0.00 0.02 0.00 0.00 46.19 41.83 1e9j s LEU 41 CO 0.47 -0.52 0.46 -0.60 0.02 0.00 0.00 176.35 176.18 1e9j s ARG 42 N 2.41 0.41 0.00 1.70 6.06 -1.26 -5.14 118.95 123.13 1e9j s ARG 42 Ca 0.46 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.67 1e9j s ARG 42 Cb -0.17 0.19 0.00 0.00 0.06 0.00 0.00 34.95 35.03 1e9j s ARG 42 CO 0.14 -0.20 0.00 0.43 -2.50 0.00 0.00 175.30 173.17 1e9j n SER 43 N 4.79 0.00 -0.07 -2.12 7.64 -1.26 -4.89 113.62 117.71 1e9j n SER 43 Ca -0.16 -0.87 0.04 0.00 1.01 0.00 0.00 58.87 58.89 1e9j n SER 43 Cb 0.53 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 1e9j n SER 43 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1e9j n LYS 44 N 0.00 3.42 -3.41 1.43 2.85 -1.26 -4.81 118.16 116.38 1e9j n LYS 44 Ca 0.00 -0.18 -0.43 0.00 -1.05 0.00 0.00 58.31 56.65 1e9j n LYS 44 Cb 0.00 -0.97 -0.02 0.00 -0.65 0.00 0.00 35.03 33.39 1e9j n LYS 44 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1e9j s LYS 45 N -1.71 3.92 -0.21 -1.58 2.20 -1.26 -5.03 119.74 116.07 1e9j s LYS 45 Ca 0.05 -3.15 -0.10 0.00 -0.36 0.00 0.00 55.97 52.41 1e9j s LYS 45 Cb 0.07 -4.40 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 1e9j s LYS 45 CO 0.34 -1.25 0.13 0.99 -0.36 0.00 0.00 175.35 175.20 1e9j s THR 46 N -1.13 5.39 0.00 3.43 2.01 -1.26 -5.02 115.64 119.06 1e9j s THR 46 Ca 0.29 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1e9j s THR 46 Cb -0.10 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1e9j s THR 46 CO -0.09 0.42 0.00 0.23 -0.69 0.00 0.00 174.62 174.49 1e9j n MET 47 N 3.65 0.00 -0.35 4.92 0.00 -1.26 -5.16 117.12 118.92 1e9j n MET 47 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.23 1e9j n MET 47 Cb 0.52 0.00 0.29 0.00 0.00 0.00 0.00 33.22 34.03 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 0.00 -1.28 -0.43 4.03 1.43 -1.26 -4.72 118.68 116.45 1e9j s LEU 48 Ca 0.00 0.82 -0.40 0.00 -1.03 0.00 0.00 54.13 53.52 1e9j s LEU 48 Cb 0.00 -2.20 -0.15 0.00 0.03 0.00 0.00 46.19 43.86 1e9j s LEU 48 CO 0.00 -5.49 2.15 1.33 0.23 0.00 0.00 176.35 174.57 1e9j n VAL 49 N -5.71 0.09 0.00 -1.59 0.24 -1.26 -4.65 118.33 105.45 1e9j n VAL 49 Ca 0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1e9j n VAL 49 Cb 0.60 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1e9j n VAL 49 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1e9j n GLN 50 N 7.74 0.00 -3.55 7.34 7.27 -1.26 -5.15 117.38 129.77 1e9j n GLN 50 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1e9j n GLN 50 Cb 0.08 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.70 1e9j n GLN 50 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1e9j s LYS 51 N -4.69 0.55 0.53 3.69 2.36 -1.26 -4.69 119.74 116.23 1e9j s LYS 51 Ca 0.00 1.32 -0.08 0.00 -2.55 0.00 0.00 55.97 54.67 1e9j s LYS 51 Cb 0.00 0.79 -0.04 0.00 -1.05 0.00 0.00 37.83 37.53 1e9j s LYS 51 CO 0.00 -0.26 0.87 -0.80 1.55 0.00 0.00 175.35 176.72 1e9j s ASN 52 N 2.86 6.27 0.43 1.43 0.01 -1.26 -4.90 114.94 119.77 1e9j s ASN 52 Ca -0.02 1.11 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1e9j s ASN 52 Cb -0.12 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1e9j s ASN 52 CO -0.19 -0.67 0.00 0.52 -1.51 0.00 0.00 177.10 175.25 1e9j n VAL 53 N -2.38 -4.29 -3.99 1.60 0.31 -1.26 -4.99 118.33 103.33 1e9j n VAL 53 Ca 0.03 1.87 -0.24 0.00 -0.01 0.00 0.00 64.34 65.98 1e9j n VAL 53 Cb 0.55 -2.60 -0.03 0.00 -0.91 0.00 0.00 33.84 30.85 1e9j n VAL 53 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1e9j s THR 54 N -3.32 5.09 -0.91 2.52 -1.32 -1.26 -5.03 115.64 111.41 1e9j s THR 54 Ca 0.00 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.33 1e9j s THR 54 Cb 0.00 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.33 1e9j s THR 54 CO 0.00 -0.19 1.61 -0.55 -2.21 0.00 0.00 174.62 173.28 1e9j s SER 55 N -3.49 5.95 -0.65 8.08 0.15 -1.26 -4.86 113.70 117.61 1e9j s SER 55 Ca 0.34 -0.94 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 1e9j s SER 55 Cb -0.10 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 1e9j s SER 55 CO 0.27 -1.99 2.48 -0.62 1.20 0.00 0.00 173.24 174.59 1e9j n GLU 56 N 8.97 2.06 -0.82 5.44 -0.58 -1.26 -4.91 120.64 129.55 1e9j n GLU 56 Ca 0.30 -1.26 -0.29 0.00 -0.42 0.00 0.00 57.16 55.49 1e9j n GLU 56 Cb 0.50 -2.26 0.20 0.00 -0.57 0.00 0.00 31.44 29.31 1e9j n GLU 56 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1e9j s SER 57 N 2.74 2.03 0.38 1.62 1.04 -1.26 -4.84 113.70 115.41 1e9j s SER 57 Ca 0.47 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1e9j s SER 57 Cb 0.16 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1e9j s SER 57 CO -0.02 -3.55 0.00 0.35 0.98 0.00 0.00 173.24 171.00 1e9j n THR 58 N -4.49 -0.37 -2.72 2.02 -2.24 -1.26 -4.96 114.28 100.27 1e9j n THR 58 Ca 0.05 0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 62.30 1e9j n THR 58 Cb 0.55 -0.83 0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.20 1.52 -1.77 0.00 3.14 -1.19 -4.45 118.33 116.77 1e9j n VAL 61 Ca 0.53 -0.84 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1e9j n VAL 61 Cb 0.47 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 1e9j n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1e9j n ALA 62 N 3.53 -1.00 -0.28 1.55 0.00 -1.26 -4.64 120.51 118.41 1e9j n ALA 62 Ca 0.25 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.94 1e9j n ALA 62 Cb 0.25 -0.44 0.58 0.00 0.00 0.00 0.00 19.45 19.84 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 3.88 0.26 -1.74 0.00 1.63 1.05 -3.35 116.57 118.31 1e9j h LYS 63 Ca 0.00 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 1e9j h LYS 63 Cb 0.00 -0.06 -0.28 0.00 -0.60 0.00 0.00 32.23 31.29 1e9j h LYS 63 CO 0.00 0.18 -0.45 -1.12 -3.45 0.00 0.00 179.45 174.61 1e9j s SER 64 N -5.41 -0.03 0.30 4.20 0.01 -0.74 -4.91 113.70 107.12 1e9j s SER 64 Ca -0.07 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1e9j s SER 64 Cb 0.24 1.30 -0.03 0.00 0.21 0.00 0.00 66.02 67.73 1e9j s SER 64 CO 0.79 -0.29 0.47 -0.72 0.41 0.00 0.00 173.24 173.89 1e9j s TYR 65 N 2.60 3.44 -0.11 2.43 -0.85 -1.25 0.26 117.35 123.87 1e9j s TYR 65 Ca 0.14 0.14 0.14 0.00 -0.52 0.00 0.00 57.07 56.98 1e9j s TYR 65 Cb -0.15 -1.78 0.31 0.00 0.38 0.00 0.00 41.96 40.72 1e9j s TYR 65 CO -0.17 0.23 1.15 -1.71 -1.52 0.00 0.00 175.55 173.53 1e9j n ASN 66 N -1.63 1.44 0.00 -0.18 4.05 0.30 -4.77 115.26 114.48 1e9j n ASN 66 Ca -0.06 -2.94 0.00 0.00 0.45 0.00 0.00 54.58 52.03 1e9j n ASN 66 Cb 0.57 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 41.18 1e9j n ASN 66 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1e9j n ARG 67 N -0.68 0.00 -1.86 1.20 1.85 -1.21 -3.98 116.66 111.99 1e9j n ARG 67 Ca 0.12 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.61 1e9j n ARG 67 Cb 0.77 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.22 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 3.38 -0.66 8.89 0.24 -1.26 -4.67 118.33 124.24 1e9j n VAL 68 Ca 0.00 -4.05 -0.26 0.00 -2.04 0.00 0.00 64.34 57.99 1e9j n VAL 68 Cb 0.00 -1.22 -0.04 0.00 -1.47 0.00 0.00 33.84 31.11 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 -3.91 3.34 -1.04 -1.25 -4.80 114.28 105.99 1e9j n THR 69 Ca 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1e9j n THR 69 Cb 0.44 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 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 1.69 0.00 -0.16 12.58 0.31 -1.17 -4.83 118.33 126.75 1e9j n VAL 70 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1e9j n VAL 70 Cb -0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.14 5.55 2.81 -1.26 0.14 117.12 124.22 1e9j n MET 71 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1e9j n MET 71 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 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 2.21 0.19 3.03 0.00 -1.26 -4.58 105.19 104.78 1e9j n GLY 72 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.61 1.51 3.32 -0.02 0.00 0.11 -5.09 105.19 105.63 1e9j n GLY 73 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 -0.26 1.61 0.08 0.38 -4.73 117.98 112.93 1e9j s PHE 74 Ca 0.00 0.78 -0.03 0.00 0.12 0.00 0.00 56.93 57.79 1e9j s PHE 74 Cb 0.00 -2.89 0.15 0.00 -0.57 0.00 0.00 43.02 39.70 1e9j s PHE 74 CO 0.00 -4.81 0.48 0.15 -0.10 0.00 0.00 175.22 170.93 1e9j s LYS 75 N -4.82 0.43 -0.09 0.44 -0.14 -1.26 -3.04 119.74 111.27 1e9j s LYS 75 Ca 0.68 0.82 0.14 0.00 -1.36 0.00 0.00 55.97 56.26 1e9j s LYS 75 Cb -0.18 0.06 0.46 0.00 -1.68 0.00 0.00 37.83 36.50 1e9j s LYS 75 CO 0.61 -0.55 1.38 1.33 -0.76 0.00 0.00 175.35 177.35 1e9j n VAL 76 N 5.40 1.67 -2.66 3.17 0.24 -1.26 -4.90 118.33 119.98 1e9j n VAL 76 Ca -0.04 -1.40 -0.17 0.00 -2.04 0.00 0.00 64.34 60.70 1e9j n VAL 76 Cb 0.50 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.17 -1.03 -0.13 7.34 -0.58 -1.26 -1.43 120.64 123.72 1e9j n GLU 77 Ca 0.18 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1e9j n GLU 77 Cb 0.69 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.69 0.00 -4.69 1.62 5.15 -1.26 -0.32 115.26 115.08 1e9j n ASN 78 Ca 0.05 0.00 -0.63 0.00 -0.60 0.00 0.00 54.58 53.39 1e9j n ASN 78 Cb 0.21 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.37 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 -0.03 1.81 0.28 1.20 8.25 -0.52 0.11 115.22 126.32 1e9j n HIS 79 Ca 0.00 0.88 0.08 0.00 -0.26 0.00 0.00 57.72 58.42 1e9j n HIS 79 Cb 0.00 -2.32 -0.12 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 4.52 0.00 -3.61 1.59 -2.24 0.71 -4.84 114.28 110.42 1e9j n THR 80 Ca 0.32 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1e9j n THR 80 Cb 0.01 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.93 -1.89 -0.05 6.98 0.00 -0.62 -4.84 121.76 118.41 1e9j s ALA 81 Ca -0.02 1.77 0.05 0.00 0.00 0.00 0.00 51.96 53.76 1e9j s ALA 81 Cb 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1e9j s ALA 81 CO 0.69 -0.29 -0.20 0.00 0.00 0.00 0.00 175.76 175.95 1e9j s HIS 83 N -0.53 -0.28 0.55 0.00 -3.43 -1.26 -4.43 115.29 105.91 1e9j s HIS 83 Ca 0.07 0.32 -0.17 0.00 -0.80 0.00 0.00 55.06 54.48 1e9j s HIS 83 Cb -0.11 -0.33 -0.06 0.00 -1.43 0.00 0.00 32.58 30.66 1e9j s HIS 83 CO 0.01 -0.55 1.05 0.00 -2.00 0.00 0.00 174.74 173.25 1e9j n SER 85 N -1.60 -1.53 -3.52 0.00 7.64 0.58 -4.70 113.62 110.49 1e9j n SER 85 Ca 0.09 0.24 -0.24 0.00 1.01 0.00 0.00 58.87 59.97 1e9j n SER 85 Cb 0.53 -0.91 0.05 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.60 -6.98 -2.05 0.44 -1.04 -1.26 -4.71 114.28 96.08 1e9j n THR 86 Ca -0.01 -1.07 -0.41 0.00 -2.04 0.00 0.00 64.05 60.52 1e9j n THR 86 Cb 0.13 -5.12 -0.00 0.00 -1.82 0.00 0.00 70.33 63.52 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 0.09 0.06 -2.59 0.00 5.04 -1.26 -5.04 117.35 113.65 1e9j s TYR 88 Ca 0.49 -0.71 0.24 0.00 -2.44 0.00 0.00 57.07 54.65 1e9j s TYR 88 Cb 0.14 0.82 0.20 0.00 0.35 0.00 0.00 41.96 43.47 1e9j s TYR 88 CO -0.05 -1.52 1.25 0.98 -1.34 0.00 0.00 175.55 174.87 1e9j n TYR 89 N -0.52 0.00 1.09 4.97 4.19 -1.26 -4.23 117.16 121.40 1e9j n TYR 89 Ca -0.08 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.22 1e9j n TYR 89 Cb 0.60 -0.00 0.52 0.00 0.49 0.00 0.00 39.34 40.94 1e9j n TYR 89 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 1e9j n HIS 90 N 0.72 0.00 0.00 2.98 -0.00 -1.26 -4.89 115.22 112.77 1e9j n HIS 90 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1e9j n HIS 90 Cb 0.53 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 1e9j n HIS 90 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1e9j n LYS 91 N -1.01 0.00 0.00 1.57 4.81 -1.26 -5.23 118.16 117.04 1e9j n LYS 91 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1e9j n LYS 91 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.11 1e9j n LYS 91 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02