#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 0.82 -0.39 0.00 -0.02 -1.26 -4.90 135.00 129.26 1e9j n PRO 2 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1e9j n PRO 2 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1e9j n PRO 2 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1e9j n ASP 3 N 4.61 0.00 -4.60 2.55 9.92 -1.26 -5.10 116.55 122.67 1e9j n ASP 3 Ca 0.27 -0.35 -0.43 0.00 -0.53 0.00 0.00 54.79 53.75 1e9j n ASP 3 Cb 0.09 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 1e9j n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1e9j s VAL 4 N -2.85 3.46 -0.78 2.53 0.11 -1.26 -4.88 120.40 116.73 1e9j s VAL 4 Ca 0.00 0.45 -0.01 0.00 -2.93 0.00 0.00 61.98 59.49 1e9j s VAL 4 Cb 0.00 -3.65 0.36 0.00 -1.53 0.00 0.00 36.38 31.57 1e9j s VAL 4 CO 0.00 -0.43 1.85 1.67 -3.33 0.00 0.00 175.10 174.86 1e9j n GLN 5 N 8.49 2.94 -4.52 1.54 0.00 -1.26 -4.98 117.38 119.59 1e9j n GLN 5 Ca 0.23 -3.74 -0.28 0.00 -0.00 0.00 0.00 57.00 53.21 1e9j n GLN 5 Cb 0.47 -2.27 -0.13 0.00 0.00 0.00 0.00 30.24 28.31 1e9j n GLN 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1e9j s ASP 6 N -1.55 3.07 -0.28 1.69 2.15 -1.26 -4.89 116.67 115.60 1e9j s ASP 6 Ca 0.51 -0.68 -0.25 0.00 0.43 0.00 0.00 52.55 52.56 1e9j s ASP 6 Cb 0.43 -0.22 0.04 0.00 -0.30 0.00 0.00 42.92 42.86 1e9j s ASP 6 CO -0.37 0.18 0.42 0.00 -0.17 0.00 0.00 175.17 175.23 1e9j s PRO 8 N -1.82 4.22 0.10 0.00 0.02 -1.26 -4.80 135.00 131.46 1e9j s PRO 8 Ca 0.24 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.24 1e9j s PRO 8 Cb -0.03 -3.71 -0.12 0.00 0.02 0.00 0.00 34.50 30.67 1e9j s PRO 8 CO 0.55 -0.72 0.42 -1.91 -0.33 0.00 0.00 177.00 175.01 1e9j n GLU 9 N 6.00 0.00 -1.82 5.54 2.13 -1.26 -1.83 120.64 129.40 1e9j n GLU 9 Ca 0.15 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.55 1e9j n GLU 9 Cb 0.42 -0.73 -0.03 0.00 0.27 0.00 0.00 31.44 31.37 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 4.53 0.00 -3.32 0.00 5.66 -0.69 -4.87 114.28 115.59 1e9j n THR 11 Ca 0.16 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.78 1e9j n THR 11 Cb 0.39 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.11 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 4.44 -0.70 1.09 1.02 -1.26 0.41 118.68 123.68 1e9j s LEU 12 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 54.13 55.26 1e9j s LEU 12 Cb 0.00 -2.79 0.36 0.00 0.02 0.00 0.00 46.19 43.77 1e9j s LEU 12 CO 0.00 0.19 1.38 0.00 0.02 0.00 0.00 176.35 177.95 1e9j n GLN 13 N 2.35 3.74 0.00 1.70 6.02 -1.09 -4.76 117.38 125.35 1e9j n GLN 13 Ca -0.10 -4.51 0.00 0.00 -0.01 0.00 0.00 57.00 52.39 1e9j n GLN 13 Cb 0.51 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.47 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 -0.31 0.00 -1.90 -1.09 2.13 -1.25 -4.52 120.64 113.70 1e9j n GLU 14 Ca 0.41 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.84 1e9j n GLU 14 Cb 0.40 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.08 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 5.20 0.00 4.31 3.84 0.99 -4.76 114.94 124.52 1e9j s ASN 15 Ca 0.00 0.77 0.18 0.00 0.21 0.00 0.00 52.86 54.02 1e9j s ASN 15 Cb 0.00 -2.52 1.10 0.00 -0.55 0.00 0.00 41.25 39.28 1e9j s ASN 15 CO 0.00 -2.35 1.70 -0.81 -2.79 0.00 0.00 177.10 172.85 1e9j n PRO 16 N 8.98 0.99 -0.10 0.43 -0.04 -1.26 -0.70 135.00 143.29 1e9j n PRO 16 Ca 0.25 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.54 1e9j n PRO 16 Cb 0.51 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.79 0.50 0.20 0.54 -0.00 -1.26 -4.45 117.46 112.19 1e9j n PHE 17 Ca 0.14 0.21 0.12 0.00 -0.00 0.00 0.00 57.45 57.92 1e9j n PHE 17 Cb 0.06 -0.86 0.12 0.00 -0.00 0.00 0.00 39.48 38.81 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 -1.00 0.00 -0.47 -5.13 -1.00 -1.91 -3.47 116.94 103.96 1e9j h PHE 18 Ca -0.28 0.00 -0.70 0.00 2.81 0.00 0.00 57.97 59.79 1e9j h PHE 18 Cb 1.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 1e9j h PHE 18 CO -0.15 0.00 0.83 -1.13 -1.61 0.00 0.00 178.31 176.25 1e9j n SER 19 N -2.94 0.85 -4.28 2.17 3.41 0.13 -4.71 113.62 108.25 1e9j n SER 19 Ca 0.03 0.82 -0.22 0.00 -0.26 0.00 0.00 58.87 59.23 1e9j n SER 19 Cb 0.53 -0.75 -0.12 0.00 -0.26 0.00 0.00 64.21 63.61 1e9j n SER 19 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1e9j s GLN 20 N 3.69 1.12 -0.13 4.33 0.74 0.38 -4.95 119.66 124.83 1e9j s GLN 20 Ca 0.95 -1.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 1e9j s GLN 20 Cb -1.27 -1.29 -0.07 0.00 1.10 0.00 0.00 33.01 31.48 1e9j s GLN 20 CO 0.63 0.29 1.02 -2.30 -0.55 0.00 0.00 175.29 174.38 1e9j n PRO 21 N 0.88 0.01 0.00 1.67 -0.02 -1.26 0.22 135.00 136.50 1e9j n PRO 21 Ca -0.18 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1e9j n PRO 21 Cb 0.55 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.38 1.40 3.15 -1.23 0.00 -1.26 -5.10 105.19 106.54 1e9j n GLY 22 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.72 -2.63 -1.07 4.61 0.00 0.60 -5.08 121.76 116.46 1e9j s ALA 23 Ca 0.00 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1e9j s ALA 23 Cb 0.00 -2.54 0.28 0.00 0.00 0.00 0.00 23.12 20.86 1e9j s ALA 23 CO 0.00 -1.80 1.15 -0.35 0.00 0.00 0.00 175.76 174.76 1e9j n PRO 24 N 5.38 3.63 -0.45 0.00 -0.04 -1.26 0.14 135.00 142.40 1e9j n PRO 24 Ca 0.05 -4.49 -0.01 0.00 -0.04 0.00 0.00 63.50 59.01 1e9j n PRO 24 Cb 0.54 -2.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.49 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 2.26 0.00 -2.98 0.52 2.08 -1.25 -4.15 119.36 115.83 1e9j n ILE 25 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1e9j n ILE 25 Cb 0.37 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.33 117.00 122.23 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 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 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 -1.35 3.23 7.27 -1.26 -4.35 117.38 120.92 1e9j n GLN 27 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 57.00 56.55 1e9j n GLN 27 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 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 7.19 1.29 0.00 0.00 -1.94 1.37 -4.82 119.30 122.38 1e9j s MET 29 Ca 1.26 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1e9j s MET 29 Cb -1.40 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1e9j s MET 29 CO 0.59 0.38 0.00 0.41 -0.01 0.00 0.00 175.02 176.39 1e9j n GLY 30 N 1.21 0.62 0.00 -0.03 0.00 -1.26 -1.71 105.19 104.02 1e9j n GLY 30 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.06 -0.19 -0.07 0.00 -0.12 -1.26 -4.93 117.98 108.35 1e9j s PHE 33 Ca 0.68 -0.12 -0.32 0.00 -0.05 0.00 0.00 56.93 57.11 1e9j s PHE 33 Cb -0.14 0.37 0.13 0.00 -0.63 0.00 0.00 43.02 42.75 1e9j s PHE 33 CO 0.56 -0.84 1.33 0.45 -0.05 0.00 0.00 175.22 176.67 1e9j s SER 34 N -2.84 -0.05 0.06 1.98 0.15 -1.26 -5.14 113.70 106.61 1e9j s SER 34 Ca 0.06 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.33 1e9j s SER 34 Cb -0.00 0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.36 1e9j s SER 34 CO -0.07 -0.20 1.26 -0.60 1.20 0.00 0.00 173.24 174.83 1e9j s ARG 35 N -2.30 4.39 0.13 5.44 3.52 -1.26 -5.03 118.95 123.84 1e9j s ARG 35 Ca 0.14 1.86 0.05 0.00 -0.13 0.00 0.00 55.73 57.64 1e9j s ARG 35 Cb 0.05 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1e9j s ARG 35 CO -0.05 -0.34 0.08 0.00 -0.81 0.00 0.00 175.30 174.18 1e9j s ALA 36 N 1.27 3.49 -0.30 6.12 0.00 -1.26 -5.10 121.76 125.98 1e9j s ALA 36 Ca 0.60 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1e9j s ALA 36 Cb -0.31 -1.33 0.17 0.00 0.00 0.00 0.00 23.12 21.65 1e9j s ALA 36 CO 0.29 0.61 1.24 -0.47 0.00 0.00 0.00 175.76 177.43 1e9j s TYR 37 N -1.56 -0.05 0.26 0.00 5.04 -1.26 -5.15 117.35 114.64 1e9j s TYR 37 Ca 0.29 0.04 -0.26 0.00 -2.44 0.00 0.00 57.07 54.71 1e9j s TYR 37 Cb -0.11 0.01 -0.16 0.00 0.35 0.00 0.00 41.96 42.05 1e9j s TYR 37 CO 0.22 -0.03 0.42 -2.30 -1.34 0.00 0.00 175.55 172.52 1e9j n PRO 38 N 5.39 0.05 -3.68 4.97 -0.02 -1.26 -2.98 135.00 137.47 1e9j n PRO 38 Ca -0.05 0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 1e9j n PRO 38 Cb 0.56 -1.03 0.02 0.00 -0.02 0.00 0.00 33.50 33.02 1e9j n PRO 38 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1e9j n THR 39 N -0.29 -3.44 -1.54 3.45 -2.24 -1.26 -4.78 114.28 104.19 1e9j n THR 39 Ca 0.16 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.53 1e9j n THR 39 Cb 0.30 -3.10 -0.00 0.00 -2.10 0.00 0.00 70.33 65.43 1e9j n THR 39 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1e9j n PRO 40 N -1.63 0.99 -2.90 -0.78 -0.02 -1.16 -4.95 135.00 124.54 1e9j n PRO 40 Ca -0.23 0.35 -0.20 0.00 -2.02 0.00 0.00 63.50 61.40 1e9j n PRO 40 Cb 0.69 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1e9j n PRO 40 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1e9j n LEU 41 N 1.14 2.52 0.00 2.45 -0.00 -1.26 -5.10 117.00 116.75 1e9j n LEU 41 Ca 0.11 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 51.17 1e9j n LEU 41 Cb 0.35 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1e9j n LEU 41 CO 0.57 2.15 0.00 -2.11 -0.00 0.00 0.00 177.39 178.00 1e9j n ARG 42 N -0.05 -0.82 0.00 1.96 1.85 -1.26 -4.72 116.66 113.62 1e9j n ARG 42 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1e9j n ARG 42 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 1e9j n ARG 42 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1e9j n SER 43 N -2.32 0.00 0.00 2.89 7.64 -1.26 -4.83 113.62 115.74 1e9j n SER 43 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1e9j n SER 43 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1e9j n SER 43 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1e9j n LYS 44 N 0.00 0.00 0.00 1.43 5.02 -1.26 -4.82 118.16 118.53 1e9j n LYS 44 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1e9j n LYS 44 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1e9j n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1e9j n LYS 45 N 0.00 0.00 -0.65 1.97 0.00 -1.26 -4.70 118.16 113.52 1e9j n LYS 45 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1e9j n LYS 45 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1e9j n LYS 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1e9j n THR 46 N 0.00 0.00 -0.22 3.15 -1.04 -1.26 -5.13 114.28 109.78 1e9j n THR 46 Ca 0.00 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.05 61.63 1e9j n THR 46 Cb 0.00 0.35 0.27 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.05 -4.65 -3.68 -2.82 1.56 -1.26 -5.07 117.12 101.24 1e9j n MET 47 Ca -0.02 -1.35 -0.14 0.00 -0.27 0.00 0.00 57.70 55.92 1e9j n MET 47 Cb 0.66 -1.74 -0.08 0.00 2.15 0.00 0.00 33.22 34.21 1e9j n MET 47 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1e9j s LEU 48 N 0.00 0.25 -0.03 -0.89 1.02 -1.26 -5.16 118.68 112.60 1e9j s LEU 48 Ca 0.62 0.55 0.00 0.00 0.02 0.00 0.00 54.13 55.32 1e9j s LEU 48 Cb -0.11 1.71 0.03 0.00 0.02 0.00 0.00 46.19 47.84 1e9j s LEU 48 CO 0.52 -0.39 0.01 0.68 0.02 0.00 0.00 176.35 177.19 1e9j s VAL 49 N -0.73 0.12 -0.08 -1.59 -7.23 -1.26 -5.14 120.40 104.48 1e9j s VAL 49 Ca -0.08 0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 1e9j s VAL 49 Cb -0.03 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.62 1e9j s VAL 49 CO 0.04 0.14 0.39 -1.10 -0.31 0.00 0.00 175.10 174.27 1e9j s GLN 50 N 1.18 4.13 0.00 4.82 -1.52 -1.26 -4.93 119.66 122.08 1e9j s GLN 50 Ca -0.08 0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.66 1e9j s GLN 50 Cb -0.13 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1e9j s GLN 50 CO -0.02 0.40 0.61 1.17 -0.25 0.00 0.00 175.29 177.20 1e9j n LYS 51 N 2.89 0.00 0.00 2.91 3.00 -1.26 -5.14 118.16 120.56 1e9j n LYS 51 Ca -0.11 -0.59 0.00 0.00 -0.00 0.00 0.00 58.31 57.60 1e9j n LYS 51 Cb 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.11 1e9j n LYS 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1e9j n ASN 52 N 0.00 0.00 -4.48 3.14 0.23 -1.26 -4.41 115.26 108.47 1e9j n ASN 52 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.66 1e9j n ASN 52 Cb 0.56 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.15 1e9j n ASN 52 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1e9j s VAL 53 N 0.00 4.86 0.00 3.53 -7.23 -1.26 -4.56 120.40 115.74 1e9j s VAL 53 Ca 0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1e9j s VAL 53 Cb 0.00 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1e9j s VAL 53 CO 0.00 0.09 0.00 1.07 -0.31 0.00 0.00 175.10 175.95 1e9j n THR 54 N 5.02 0.00 -3.76 5.32 5.66 -1.26 -5.10 114.28 120.16 1e9j n THR 54 Ca -0.14 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.56 1e9j n THR 54 Cb 0.50 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 1e9j n THR 54 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1e9j s SER 55 N 0.00 4.03 0.00 1.09 0.01 -1.26 -4.78 113.70 112.79 1e9j s SER 55 Ca 0.00 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1e9j s SER 55 Cb 0.00 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1e9j s SER 55 CO 0.00 -0.38 0.00 1.21 0.41 0.00 0.00 173.24 174.48 1e9j n GLU 56 N 4.49 1.62 -4.28 12.44 4.07 -1.26 -5.05 120.64 132.67 1e9j n GLU 56 Ca 0.01 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.93 1e9j n GLU 56 Cb 0.40 -0.94 -0.13 0.00 -0.06 0.00 0.00 31.44 30.71 1e9j n GLU 56 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1e9j s SER 57 N -2.11 1.26 0.73 4.31 1.04 -1.26 -5.15 113.70 112.52 1e9j s SER 57 Ca 0.00 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 1e9j s SER 57 Cb 0.00 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.09 1e9j s SER 57 CO 0.00 0.01 1.09 0.42 0.98 0.00 0.00 173.24 175.74 1e9j s THR 58 N -0.72 2.74 -0.28 2.02 -4.23 -1.26 -4.01 115.64 109.89 1e9j s THR 58 Ca -0.00 0.12 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 1e9j s THR 58 Cb -0.07 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.75 1e9j s THR 58 CO 0.01 -0.27 1.37 0.00 -0.54 0.00 0.00 174.62 175.19 1e9j s VAL 61 N -1.62 -0.63 0.00 0.00 1.01 -1.06 -4.92 120.40 113.18 1e9j s VAL 61 Ca 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1e9j s VAL 61 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1e9j s VAL 61 CO 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.01 1e9j n ALA 62 N 3.32 -0.29 -0.24 5.51 0.00 -1.25 -4.47 120.51 123.09 1e9j n ALA 62 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1e9j n ALA 62 Cb 0.53 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.27 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 0.84 0.88 -3.51 0.00 3.64 0.79 -3.41 116.57 115.78 1e9j h LYS 63 Ca 0.00 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.10 1e9j h LYS 63 Cb 0.00 -0.20 -0.28 0.00 -0.41 0.00 0.00 32.23 31.34 1e9j h LYS 63 CO 0.00 0.58 -0.64 -1.12 -2.27 0.00 0.00 179.45 176.00 1e9j s SER 64 N -6.13 -0.07 0.21 4.20 0.01 -0.87 -4.93 113.70 106.12 1e9j s SER 64 Ca -0.11 0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.40 1e9j s SER 64 Cb 0.19 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 1e9j s SER 64 CO 0.79 -0.05 -0.18 -0.72 0.41 0.00 0.00 173.24 173.48 1e9j s TYR 65 N 0.28 1.95 -0.16 2.43 1.13 -1.25 0.48 117.35 122.20 1e9j s TYR 65 Ca -0.02 -0.45 0.15 0.00 -1.41 0.00 0.00 57.07 55.33 1e9j s TYR 65 Cb -0.03 -0.92 0.41 0.00 -1.10 0.00 0.00 41.96 40.32 1e9j s TYR 65 CO -0.01 0.45 1.20 0.09 -2.51 0.00 0.00 175.55 174.77 1e9j n ASN 66 N -0.11 1.55 0.00 -0.18 4.13 0.33 -4.78 115.26 116.20 1e9j n ASN 66 Ca -0.10 -3.42 0.00 0.00 1.68 0.00 0.00 54.58 52.75 1e9j n ASN 66 Cb 0.59 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 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 -0.74 0.00 -2.43 3.52 0.63 -1.23 -3.84 116.66 112.57 1e9j n ARG 67 Ca 0.16 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.86 1e9j n ARG 67 Cb 0.79 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.71 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 2.17 -0.53 5.15 0.24 -1.26 -4.65 118.33 119.45 1e9j n VAL 68 Ca 0.00 -4.46 -0.21 0.00 -2.04 0.00 0.00 64.34 57.63 1e9j n VAL 68 Cb 0.00 -0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.46 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 -0.47 0.00 -4.08 3.34 -1.04 -1.25 -4.80 114.28 105.97 1e9j n THR 69 Ca 0.35 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.32 1e9j n THR 69 Cb 0.75 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 69.09 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 1.40 0.00 0.00 12.58 0.31 -1.21 -4.82 118.33 126.59 1e9j n VAL 70 Ca 0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1e9j n VAL 70 Cb -0.02 0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 -0.15 0.00 0.00 5.55 2.81 -1.26 0.55 117.12 124.63 1e9j n MET 71 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1e9j n MET 71 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 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 -0.66 0.00 3.03 0.00 -1.26 -4.67 105.19 101.63 1e9j n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.38 1.96 2.92 -0.02 0.00 0.19 -5.13 105.19 105.50 1e9j n GLY 73 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.10 -3.45 -3.15 1.61 3.01 0.17 -4.71 117.46 110.84 1e9j n PHE 74 Ca 0.00 -0.63 0.04 0.00 1.01 0.00 0.00 57.45 57.87 1e9j n PHE 74 Cb 0.00 -1.18 -0.01 0.00 -0.01 0.00 0.00 39.48 38.28 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 -4.65 0.54 -0.10 -1.08 1.02 -1.26 -3.31 119.74 110.91 1e9j s LYS 75 Ca 0.57 0.85 0.18 0.00 0.02 0.00 0.00 55.97 57.59 1e9j s LYS 75 Cb -0.10 0.46 0.69 0.00 -0.52 0.00 0.00 37.83 38.36 1e9j s LYS 75 CO 0.47 -0.68 1.59 1.33 -0.92 0.00 0.00 175.35 177.15 1e9j n VAL 76 N 5.43 1.74 -2.53 3.17 0.24 -1.26 -4.89 118.33 120.23 1e9j n VAL 76 Ca 0.00 -1.21 -0.14 0.00 -2.04 0.00 0.00 64.34 60.95 1e9j n VAL 76 Cb 0.52 0.17 -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 1.07 -0.90 0.00 7.34 -0.58 -1.26 -1.54 120.64 124.76 1e9j n GLU 77 Ca 0.25 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1e9j n GLU 77 Cb 0.84 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.30 0.00 -4.68 1.62 5.15 -1.25 -0.83 115.26 114.97 1e9j n ASN 78 Ca 0.04 0.00 -0.62 0.00 -0.60 0.00 0.00 54.58 53.40 1e9j n ASN 78 Cb 0.15 0.00 -0.09 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 0.00 1.61 0.06 1.20 8.25 -0.59 0.12 115.22 125.88 1e9j n HIS 79 Ca 0.00 0.93 0.05 0.00 -0.26 0.00 0.00 57.72 58.44 1e9j n HIS 79 Cb 0.00 -2.27 -0.08 0.00 1.12 0.00 0.00 29.99 28.76 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 3.56 0.00 -3.56 1.59 -2.24 0.18 -4.82 114.28 108.99 1e9j n THR 80 Ca 0.27 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 1e9j n THR 80 Cb 0.04 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.64 -1.79 0.09 6.98 0.00 -0.60 -4.86 121.76 118.94 1e9j s ALA 81 Ca -0.03 1.53 0.06 0.00 0.00 0.00 0.00 51.96 53.53 1e9j s ALA 81 Cb 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1e9j s ALA 81 CO 0.44 -0.35 -0.16 0.00 0.00 0.00 0.00 175.76 175.69 1e9j s HIS 83 N -1.43 -0.59 0.06 0.00 -3.43 -1.26 -4.50 115.29 104.13 1e9j s HIS 83 Ca 0.03 1.18 -0.30 0.00 -0.80 0.00 0.00 55.06 55.17 1e9j s HIS 83 Cb -0.09 0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 31.12 1e9j s HIS 83 CO 0.03 -0.43 1.00 0.00 -2.00 0.00 0.00 174.74 173.34 1e9j n SER 85 N 3.38 0.10 -4.68 0.00 3.41 0.77 -4.74 113.62 111.85 1e9j n SER 85 Ca 0.05 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.16 1e9j n SER 85 Cb 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1e9j n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1e9j n THR 86 N 0.00 0.48 0.00 6.66 -1.04 -1.26 0.41 114.28 119.53 1e9j n THR 86 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1e9j n THR 86 Cb 0.00 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1e9j n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e9j n TYR 88 N 0.00 1.42 -3.87 0.00 9.36 -1.26 -4.22 117.16 118.59 1e9j n TYR 88 Ca 0.00 -1.90 -0.08 0.00 3.32 0.00 0.00 57.90 59.23 1e9j n TYR 88 Cb 0.00 -1.07 -0.03 0.00 -0.63 0.00 0.00 39.34 37.61 1e9j n TYR 88 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1e9j s TYR 89 N -1.60 -0.00 -5.00 2.98 2.02 -1.26 -5.12 117.35 109.37 1e9j s TYR 89 Ca 0.38 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1e9j s TYR 89 Cb 0.27 0.47 0.00 0.00 -0.40 0.00 0.00 41.96 42.30 1e9j s TYR 89 CO -0.06 -1.09 0.00 0.72 -1.57 0.00 0.00 175.55 173.56 1e9j n HIS 90 N -0.41 0.00 0.21 2.71 8.25 -1.26 -4.92 115.22 119.79 1e9j n HIS 90 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 1e9j n HIS 90 Cb 0.61 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.37 1e9j n HIS 90 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1e9j h LYS 91 N 0.01 0.00 0.00 -0.41 3.64 -2.02 -3.56 116.57 114.23 1e9j h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1e9j h LYS 91 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1e9j h LYS 91 CO 0.00 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.05