#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzj n SER 2 N 0.00 -1.44 -3.68 1.61 7.64 -1.26 -4.97 113.62 111.52 2dzj n SER 2 Ca 0.00 0.95 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 2dzj n SER 2 Cb 0.00 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 2dzj n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dzj s SER 3 N -0.89 -0.32 0.31 6.43 0.01 -1.26 -5.04 113.70 112.94 2dzj s SER 3 Ca 0.56 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.51 2dzj s SER 3 Cb -0.77 0.59 0.88 0.00 0.21 0.00 0.00 66.02 66.93 2dzj s SER 3 CO 0.51 -1.05 1.66 1.23 0.41 0.00 0.00 173.24 176.00 2dzj h GLY 4 N 2.15 1.68 -3.72 3.44 0.00 -2.08 -3.42 103.07 101.13 2dzj h GLY 4 Ca -0.29 -0.13 -0.55 0.00 0.00 0.00 0.00 47.33 46.36 2dzj h GLY 4 CO 0.37 -0.42 -1.00 1.44 0.00 0.00 0.00 176.54 176.93 2dzj n SER 5 N -5.14 -3.13 -4.72 0.19 7.64 -1.26 -4.87 113.62 102.33 2dzj n SER 5 Ca 0.26 0.64 -0.32 0.00 1.01 0.00 0.00 58.87 60.46 2dzj n SER 5 Cb 0.82 -0.78 0.12 0.00 -1.01 0.00 0.00 64.21 63.35 2dzj n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dzj s SER 6 N -0.91 3.84 -0.01 6.43 0.01 -1.26 -4.99 113.70 116.81 2dzj s SER 6 Ca 0.52 2.06 -0.19 0.00 1.31 0.00 0.00 55.95 59.65 2dzj s SER 6 Cb -0.49 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.08 2dzj s SER 6 CO 0.59 -2.49 0.84 1.23 0.41 0.00 0.00 173.24 173.83 2dzj h GLY 7 N -1.26 -0.73 -4.59 3.44 0.00 -1.92 -3.44 103.07 94.57 2dzj h GLY 7 Ca -0.44 0.27 -0.56 0.00 0.00 0.00 0.00 47.33 46.60 2dzj h GLY 7 CO 0.47 -0.27 0.75 1.03 0.00 0.00 0.00 176.54 178.53 2dzj n MET 8 N -5.04 2.32 -3.97 4.80 2.00 -1.26 -4.97 117.12 111.00 2dzj n MET 8 Ca -0.09 0.83 -0.31 0.00 0.00 0.00 0.00 57.70 58.13 2dzj n MET 8 Cb 0.28 -2.55 -0.15 0.00 0.00 0.00 0.00 33.22 30.80 2dzj n MET 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2dzj s LYS 9 N -0.13 1.61 0.53 0.03 1.02 -1.26 -5.10 119.74 116.44 2dzj s LYS 9 Ca 0.69 -2.10 0.07 0.00 0.02 0.00 0.00 55.97 54.64 2dzj s LYS 9 Cb -0.59 -3.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2dzj s LYS 9 CO 0.46 -1.01 0.49 -1.01 -0.92 0.00 0.00 175.35 173.36 2dzj s HIS 10 N 0.50 1.77 0.05 3.18 3.76 -1.26 -5.07 115.29 118.22 2dzj s HIS 10 Ca 0.13 -0.75 -0.11 0.00 -0.15 0.00 0.00 55.06 54.18 2dzj s HIS 10 Cb -0.22 -2.03 -0.06 0.00 1.11 0.00 0.00 32.58 31.39 2dzj s HIS 10 CO -0.06 -0.57 0.39 0.71 -0.85 0.00 0.00 174.74 174.37 2dzj s TYR 11 N -2.69 3.62 -0.37 1.40 1.51 -0.91 -4.92 117.35 115.00 2dzj s TYR 11 Ca 0.43 0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 57.23 2dzj s TYR 11 Cb -0.03 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2dzj s TYR 11 CO 0.26 0.56 0.19 -1.21 -1.11 0.00 0.00 175.55 174.24 2dzj s GLU 12 N -1.65 2.78 -0.32 -0.62 8.01 -1.02 -3.23 118.70 122.64 2dzj s GLU 12 Ca 0.30 -1.11 0.01 0.00 0.01 0.00 0.00 54.97 54.18 2dzj s GLU 12 Cb -0.15 -3.68 0.08 0.00 -4.31 0.00 0.00 34.13 26.07 2dzj s GLU 12 CO 0.16 -0.70 0.02 0.08 0.01 0.00 0.00 175.26 174.84 2dzj s VAL 13 N 1.52 2.66 -0.52 2.63 1.01 0.41 -0.72 120.40 127.38 2dzj s VAL 13 Ca 0.01 -1.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 2dzj s VAL 13 Cb -0.19 -2.70 0.10 0.00 0.00 0.00 0.00 36.38 33.59 2dzj s VAL 13 CO 0.06 -0.32 0.52 -1.83 0.00 0.00 0.00 175.10 173.53 2dzj s GLU 14 N 1.11 3.02 -0.76 2.72 -1.05 -1.01 -1.47 118.70 121.25 2dzj s GLU 14 Ca 0.00 -1.40 -0.26 0.00 -0.15 0.00 0.00 54.97 53.16 2dzj s GLU 14 Cb -0.20 -4.21 0.02 0.00 -0.44 0.00 0.00 34.13 29.30 2dzj s GLU 14 CO -0.04 -1.25 1.42 0.42 0.95 0.00 0.00 175.26 176.75 2dzj s ILE 15 N 1.96 3.68 0.45 1.83 1.01 -0.13 -3.05 121.20 126.94 2dzj s ILE 15 Ca 0.07 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.01 2dzj s ILE 15 Cb -0.25 -4.75 0.02 0.00 0.01 0.00 0.00 42.46 37.49 2dzj s ILE 15 CO 0.06 -1.69 0.61 -0.76 0.00 0.00 0.00 174.94 173.16 2dzj s LEU 16 N 6.33 3.56 0.42 2.97 1.43 0.65 -2.43 118.68 131.60 2dzj s LEU 16 Ca 0.43 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2dzj s LEU 16 Cb -0.08 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2dzj s LEU 16 CO 0.12 -0.86 0.73 -0.62 0.23 0.00 0.00 176.35 175.96 2dzj s ASP 17 N -4.40 6.38 0.00 2.29 2.15 -1.21 0.73 116.67 122.61 2dzj s ASP 17 Ca 0.56 0.94 0.29 0.00 0.43 0.00 0.00 52.55 54.77 2dzj s ASP 17 Cb -0.09 -2.25 1.27 0.00 -0.30 0.00 0.00 42.92 41.55 2dzj s ASP 17 CO 0.34 -0.44 1.87 0.00 -0.17 0.00 0.00 175.17 176.77 2dzj n ALA 18 N -1.70 2.64 -0.54 3.66 0.00 -0.43 -2.91 120.51 121.23 2dzj n ALA 18 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2dzj n ALA 18 Cb 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2dzj n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dzj n LYS 19 N -0.23 0.00 0.20 0.00 4.76 -1.26 -4.83 118.16 116.79 2dzj n LYS 19 Ca 0.20 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.76 2dzj n LYS 19 Cb 0.29 -0.02 0.28 0.00 -1.84 0.00 0.00 35.03 33.74 2dzj n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dzj h THR 20 N 0.00 0.00 -2.75 -0.18 1.03 -1.98 -3.47 112.91 105.57 2dzj h THR 20 Ca 0.00 -0.83 -0.41 0.00 -0.01 0.00 0.00 66.41 65.16 2dzj h THR 20 Cb 0.00 1.82 -0.03 0.00 -1.07 0.00 0.00 68.15 68.86 2dzj h THR 20 CO 0.00 0.00 -0.52 0.54 -0.01 0.00 0.00 175.52 175.53 2dzj n ARG 21 N -2.90 -1.63 -2.52 0.00 1.74 -1.15 -4.91 116.66 105.30 2dzj n ARG 21 Ca 0.04 1.03 -0.40 0.00 -0.77 0.00 0.00 57.85 57.74 2dzj n ARG 21 Cb 0.48 -5.65 -0.05 0.00 -1.02 0.00 0.00 32.46 26.22 2dzj n ARG 21 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dzj s GLU 22 N -4.90 4.67 -0.35 5.56 2.02 -1.26 -4.38 118.70 120.06 2dzj s GLU 22 Ca 0.00 1.75 -0.28 0.00 0.02 0.00 0.00 54.97 56.47 2dzj s GLU 22 Cb 0.00 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2dzj s GLU 22 CO 0.00 0.26 2.08 0.21 0.02 0.00 0.00 175.26 177.83 2dzj s LYS 23 N -1.38 2.94 -0.17 1.61 2.47 -1.26 -3.34 119.74 120.62 2dzj s LYS 23 Ca 0.44 1.56 -0.10 0.00 -1.56 0.00 0.00 55.97 56.32 2dzj s LYS 23 Cb -0.31 -4.36 -0.22 0.00 -1.46 0.00 0.00 37.83 31.48 2dzj s LYS 23 CO 0.39 -2.32 0.19 1.28 0.16 0.00 0.00 175.35 175.06 2dzj n LEU 24 N 12.16 2.44 -3.72 5.43 4.77 -1.02 -5.00 117.00 132.06 2dzj n LEU 24 Ca 0.28 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 2dzj n LEU 24 Cb 0.48 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.45 2dzj n LEU 24 CO 0.68 0.70 0.09 0.00 -1.33 0.00 0.00 177.39 177.54 2dzj s PHE 26 N -0.63 1.55 -0.49 0.00 5.36 -1.26 -0.95 117.98 121.56 2dzj s PHE 26 Ca -0.07 -1.68 -0.17 0.00 -0.96 0.00 0.00 56.93 54.05 2dzj s PHE 26 Cb -0.04 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 41.10 2dzj s PHE 26 CO 0.03 -0.87 0.49 -0.51 -1.46 0.00 0.00 175.22 172.90 2dzj s LEU 27 N 1.59 5.41 0.00 6.12 1.43 -0.54 -4.88 118.68 127.80 2dzj s LEU 27 Ca 0.10 -1.20 0.23 0.00 -1.03 0.00 0.00 54.13 52.23 2dzj s LEU 27 Cb -0.18 -2.28 0.60 0.00 0.03 0.00 0.00 46.19 44.37 2dzj s LEU 27 CO -0.25 -0.75 1.51 -0.90 0.23 0.00 0.00 176.35 176.20 2dzj n ASP 28 N 5.57 3.87 -2.43 2.29 5.68 -1.25 -0.45 116.55 129.82 2dzj n ASP 28 Ca -0.10 -2.00 -0.20 0.00 -0.50 0.00 0.00 54.79 51.99 2dzj n ASP 28 Cb 0.44 -0.44 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 2dzj n ASP 28 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dzj n LYS 29 N 1.64 2.87 -3.98 0.11 5.02 -1.21 -3.96 118.16 118.65 2dzj n LYS 29 Ca 0.24 -4.07 -0.32 0.00 -2.02 0.00 0.00 58.31 52.14 2dzj n LYS 29 Cb 0.63 -2.00 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 2dzj n LYS 29 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dzj s VAL 30 N -4.64 5.08 0.27 -0.18 1.01 -1.20 -4.89 120.40 115.84 2dzj s VAL 30 Ca 0.43 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2dzj s VAL 30 Cb 0.40 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 2dzj s VAL 30 CO -0.07 0.21 0.74 -1.61 0.00 0.00 0.00 175.10 174.38 2dzj s GLU 31 N -2.22 4.17 0.24 2.72 2.02 -1.26 -2.14 118.70 122.23 2dzj s GLU 31 Ca 0.30 0.82 0.01 0.00 0.02 0.00 0.00 54.97 56.12 2dzj s GLU 31 Cb -0.13 -2.69 0.26 0.00 0.10 0.00 0.00 34.13 31.68 2dzj s GLU 31 CO 0.22 0.29 1.61 -1.00 0.02 0.00 0.00 175.26 176.40 2dzj h PRO 32 N 2.94 0.46 -0.01 0.39 0.13 -1.98 -2.68 132.00 131.25 2dzj h PRO 32 Ca -0.48 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2dzj h PRO 32 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dzj h PRO 32 CO 0.65 0.81 0.00 -2.39 -0.23 0.00 0.00 178.00 176.84 2dzj n HIS 33 N -4.01 0.01 -2.30 1.56 1.44 -1.26 -1.49 115.22 109.17 2dzj n HIS 33 Ca -0.02 -0.01 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 2dzj n HIS 33 Cb 0.52 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.60 2dzj n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dzj s ALA 34 N -1.99 3.48 0.34 1.59 0.00 -1.01 -4.88 121.76 119.30 2dzj s ALA 34 Ca 0.41 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 2dzj s ALA 34 Cb 0.20 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2dzj s ALA 34 CO 0.33 -0.50 0.65 0.95 0.00 0.00 0.00 175.76 177.18 2dzj s THR 35 N 0.79 4.93 0.33 0.00 -4.23 -1.26 -2.66 115.64 113.55 2dzj s THR 35 Ca 0.60 0.26 0.12 0.00 -1.18 0.00 0.00 61.69 61.49 2dzj s THR 35 Cb -0.33 -3.74 0.33 0.00 1.34 0.00 0.00 72.50 70.09 2dzj s THR 35 CO 0.32 -0.43 1.65 0.40 -0.54 0.00 0.00 174.62 176.02 2dzj h ILE 36 N 1.19 0.28 -0.72 2.99 1.08 -1.57 0.33 117.51 121.09 2dzj h ILE 36 Ca -0.47 -0.09 0.15 0.00 -0.39 0.00 0.00 64.86 64.05 2dzj h ILE 36 Cb 1.19 -0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.82 2dzj h ILE 36 CO 0.65 0.05 0.19 0.00 -0.69 0.00 0.00 178.15 178.35 2dzj h ALA 37 N 1.85 0.93 -0.19 1.87 0.00 -1.86 -1.32 119.26 120.55 2dzj h ALA 37 Ca 0.70 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.74 2dzj h ALA 37 Cb 1.58 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2dzj h ALA 37 CO -0.63 -0.31 0.02 0.93 0.00 0.00 0.00 179.25 179.26 2dzj h GLU 38 N 0.30 0.32 -0.69 0.00 4.39 -0.73 -3.12 114.58 115.06 2dzj h GLU 38 Ca 0.40 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 60.14 2dzj h GLU 38 Cb 0.65 -0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.14 2dzj h GLU 38 CO -0.47 0.50 -0.14 0.82 -1.16 0.00 0.00 179.01 178.56 2dzj h ILE 39 N 0.10 0.33 -0.59 3.13 1.08 -0.94 0.67 117.51 121.29 2dzj h ILE 39 Ca 0.06 -0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.64 2dzj h ILE 39 Cb 0.35 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.32 2dzj h ILE 39 CO 0.01 0.00 0.07 0.11 -0.69 0.00 0.00 178.15 177.65 2dzj h LYS 40 N 0.01 0.18 0.20 2.37 6.56 -1.35 -2.19 116.57 122.36 2dzj h LYS 40 Ca 0.34 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.93 2dzj h LYS 40 Cb 0.52 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.11 2dzj h LYS 40 CO -0.69 0.12 -0.36 -0.91 -2.06 0.00 0.00 179.45 175.55 2dzj h ASN 41 N 0.19 -1.04 -0.90 0.86 2.35 -0.89 -2.03 115.58 114.13 2dzj h ASN 41 Ca 0.31 0.11 0.11 0.00 -0.55 0.00 0.00 56.30 56.28 2dzj h ASN 41 Cb 0.48 0.38 -0.13 0.00 0.05 0.00 0.00 38.32 39.10 2dzj h ASN 41 CO -0.45 -0.47 -0.48 -0.07 -1.65 0.00 0.00 177.43 174.32 2dzj h LEU 42 N -0.65 -1.74 -1.06 1.61 3.38 -0.92 0.70 115.31 116.64 2dzj h LEU 42 Ca 0.01 0.30 0.12 0.00 0.09 0.00 0.00 57.88 58.40 2dzj h LEU 42 Cb 0.64 0.82 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 2dzj h LEU 42 CO -0.17 -0.28 0.62 0.15 0.09 0.00 0.00 178.44 178.86 2dzj h PHE 43 N -0.05 1.10 -0.75 1.13 3.04 -1.24 -0.99 116.94 119.17 2dzj h PHE 43 Ca 0.24 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.17 2dzj h PHE 43 Cb 0.52 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 2dzj h PHE 43 CO -0.90 0.44 0.28 1.15 -2.02 0.00 0.00 178.31 177.27 2dzj h THR 44 N 0.96 1.26 -0.41 4.41 2.02 0.10 -3.11 112.91 118.14 2dzj h THR 44 Ca 0.48 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.87 2dzj h THR 44 Cb 0.49 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2dzj h THR 44 CO -0.25 0.33 -0.24 0.29 0.37 0.00 0.00 175.52 176.02 2dzj n LYS 45 N -4.27 -0.18 0.45 6.66 5.02 0.10 -1.85 118.16 124.08 2dzj n LYS 45 Ca 0.07 1.07 -0.19 0.00 -2.02 0.00 0.00 58.31 57.24 2dzj n LYS 45 Cb 0.19 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 2dzj n LYS 45 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2dzj h THR 46 N 0.00 0.00 -3.35 -0.18 2.02 -1.66 -3.37 112.91 106.37 2dzj h THR 46 Ca 0.07 0.00 -0.76 0.00 0.77 0.00 0.00 66.41 66.49 2dzj h THR 46 Cb 0.17 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 66.31 2dzj h THR 46 CO -0.39 0.00 -0.19 -1.00 0.37 0.00 0.00 175.52 174.31 2dzj s HIS 47 N -5.69 3.43 0.16 3.16 3.76 -0.77 -4.92 115.29 114.43 2dzj s HIS 47 Ca -0.18 -1.70 -0.09 0.00 -0.15 0.00 0.00 55.06 52.94 2dzj s HIS 47 Cb 0.02 -3.70 0.01 0.00 1.11 0.00 0.00 32.58 30.03 2dzj s HIS 47 CO 0.54 -1.00 1.50 -1.00 -0.85 0.00 0.00 174.74 173.94 2dzj h PRO 48 N 8.39 0.86 -0.89 8.40 0.13 -1.55 -3.05 132.00 144.28 2dzj h PRO 48 Ca -0.16 -0.45 0.25 0.00 -0.87 0.00 0.00 66.00 64.77 2dzj h PRO 48 Cb 1.07 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2dzj h PRO 48 CO 0.90 1.10 0.64 0.37 -0.23 0.00 0.00 178.00 180.78 2dzj h GLN 49 N 0.70 0.06 -5.91 0.86 5.75 -1.91 -3.36 115.11 111.30 2dzj h GLN 49 Ca 0.06 -0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.93 2dzj h GLN 49 Cb 0.98 -0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.39 2dzj h GLN 49 CO 0.09 0.04 0.43 -1.58 -2.65 0.00 0.00 178.83 175.16 2dzj s TRP 50 N -5.04 2.97 0.48 3.99 0.52 -1.15 -5.04 118.94 115.67 2dzj s TRP 50 Ca -0.05 0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.27 2dzj s TRP 50 Cb 0.22 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.75 2dzj s TRP 50 CO 0.77 -1.02 0.77 1.52 0.02 0.00 0.00 176.95 179.01 2dzj s TYR 51 N 3.44 3.48 0.31 -1.98 1.13 -1.26 -4.65 117.35 117.82 2dzj s TYR 51 Ca 0.32 0.68 0.13 0.00 -1.41 0.00 0.00 57.07 56.79 2dzj s TYR 51 Cb -0.11 -2.33 0.61 0.00 -1.10 0.00 0.00 41.96 39.02 2dzj s TYR 51 CO 0.24 -0.33 1.74 -1.00 -2.51 0.00 0.00 175.55 173.69 2dzj h PRO 52 N 0.23 0.00 -0.01 -3.49 0.13 -1.90 -2.80 132.00 124.17 2dzj h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dzj h PRO 52 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dzj h PRO 52 CO 0.61 0.46 0.01 0.00 -0.23 0.00 0.00 178.00 178.84 2dzj h ALA 53 N 1.54 1.55 0.00 -0.56 0.00 -2.01 -3.24 119.26 116.54 2dzj h ALA 53 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dzj h ALA 53 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dzj h ALA 53 CO 0.06 -0.01 -0.38 -2.13 0.00 0.00 0.00 179.25 176.79 2dzj n ARG 54 N -3.87 0.27 -1.30 0.00 0.63 -1.09 -4.89 116.66 106.42 2dzj n ARG 54 Ca -0.03 0.32 -0.58 0.00 -0.92 0.00 0.00 57.85 56.64 2dzj n ARG 54 Cb 0.09 -1.21 -0.11 0.00 0.45 0.00 0.00 32.46 31.68 2dzj n ARG 54 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2dzj n GLN 55 N -3.62 0.21 -3.67 -0.14 6.02 -1.07 -4.38 117.38 110.74 2dzj n GLN 55 Ca -0.05 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2dzj n GLN 55 Cb 0.20 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 29.66 2dzj n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dzj s SER 56 N 6.20 5.79 0.05 1.08 0.15 -1.20 -4.90 113.70 120.88 2dzj s SER 56 Ca 1.18 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.82 2dzj s SER 56 Cb -1.37 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 60.84 2dzj s SER 56 CO 0.63 -0.02 0.06 -0.76 1.20 0.00 0.00 173.24 174.35 2dzj s LEU 57 N 1.53 3.75 -0.23 3.45 1.43 -1.25 -0.91 118.68 126.45 2dzj s LEU 57 Ca 0.07 0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.99 2dzj s LEU 57 Cb -0.15 -2.35 0.06 0.00 0.03 0.00 0.00 46.19 43.78 2dzj s LEU 57 CO 0.08 0.21 0.59 -0.13 0.23 0.00 0.00 176.35 177.32 2dzj s ARG 58 N -2.14 0.65 0.38 1.70 0.52 -0.95 -2.01 118.95 117.09 2dzj s ARG 58 Ca 0.26 0.93 0.25 0.00 -0.52 0.00 0.00 55.73 56.65 2dzj s ARG 58 Cb -0.12 0.23 1.34 0.00 0.52 0.00 0.00 34.95 36.93 2dzj s ARG 58 CO 0.18 -0.11 1.75 -0.07 0.02 0.00 0.00 175.30 177.08 2dzj h LEU 59 N 5.96 0.00 -7.10 2.53 3.38 -1.84 -2.12 115.31 116.12 2dzj h LEU 59 Ca -0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2dzj h LEU 59 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 2dzj h LEU 59 CO 0.16 0.00 0.11 -1.81 0.09 0.00 0.00 178.44 176.99 2dzj s ASP 60 N -4.17 -0.57 0.00 -0.43 1.11 -1.26 -4.87 116.67 106.48 2dzj s ASP 60 Ca -0.03 0.56 0.14 0.00 0.18 0.00 0.00 52.55 53.40 2dzj s ASP 60 Cb 0.07 0.50 0.62 0.00 1.07 0.00 0.00 42.92 45.18 2dzj s ASP 60 CO 0.22 -0.60 1.45 -0.81 1.18 0.00 0.00 175.17 176.61 2dzj n PRO 61 N 0.89 0.02 -1.11 8.23 -0.04 -1.26 -2.58 135.00 139.16 2dzj n PRO 61 Ca -0.19 0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 2dzj n PRO 61 Cb 0.57 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.65 2dzj n PRO 61 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dzj n LYS 62 N -1.48 0.95 0.00 0.54 5.02 -1.26 -5.02 118.16 116.91 2dzj n LYS 62 Ca 0.04 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 2dzj n LYS 62 Cb 0.16 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2dzj n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dzj n GLY 63 N -0.37 1.57 3.28 0.72 0.00 -1.06 -5.17 105.19 104.15 2dzj n GLY 63 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2dzj n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dzj s LYS 64 N 3.23 1.52 0.26 1.61 1.02 -1.26 -5.03 119.74 121.08 2dzj s LYS 64 Ca 0.00 -1.85 -0.29 0.00 0.02 0.00 0.00 55.97 53.85 2dzj s LYS 64 Cb 0.00 0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.34 2dzj s LYS 64 CO 0.00 -0.48 0.96 0.45 -0.92 0.00 0.00 175.35 175.35 2dzj s SER 65 N -3.31 7.53 0.57 2.83 0.15 -1.26 -4.13 113.70 116.08 2dzj s SER 65 Ca 0.38 1.96 -0.12 0.00 0.70 0.00 0.00 55.95 58.87 2dzj s SER 65 Cb 0.05 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2dzj s SER 65 CO 0.19 0.07 0.98 -0.76 1.20 0.00 0.00 173.24 174.92 2dzj s LEU 66 N -1.42 3.40 0.21 3.45 1.43 -0.85 -4.99 118.68 119.91 2dzj s LEU 66 Ca 0.44 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 55.02 2dzj s LEU 66 Cb -0.25 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 2dzj s LEU 66 CO 0.31 -0.75 -0.16 -0.54 0.23 0.00 0.00 176.35 175.45 2dzj s LYS 67 N -4.79 1.38 0.33 1.70 1.02 -1.26 -4.92 119.74 113.20 2dzj s LYS 67 Ca 0.55 -1.60 0.08 0.00 0.02 0.00 0.00 55.97 55.02 2dzj s LYS 67 Cb -0.11 -1.24 0.80 0.00 -0.52 0.00 0.00 37.83 36.77 2dzj s LYS 67 CO 0.46 0.22 1.80 0.38 -0.92 0.00 0.00 175.35 177.29 2dzj h ASP 68 N 2.57 0.71 -1.09 2.83 2.03 -1.96 0.32 116.42 121.83 2dzj h ASP 68 Ca -0.39 0.08 0.30 0.00 -0.73 0.00 0.00 57.03 56.29 2dzj h ASP 68 Cb 1.23 -0.05 -0.10 0.00 -0.83 0.00 0.00 39.33 39.57 2dzj h ASP 68 CO 0.61 0.27 0.70 1.05 -1.03 0.00 0.00 179.24 180.84 2dzj h GLU 69 N 0.71 0.32 -7.12 4.15 4.11 -1.98 -3.29 114.58 111.47 2dzj h GLU 69 Ca 0.54 -0.02 -0.52 0.00 0.07 0.00 0.00 59.36 59.43 2dzj h GLU 69 Cb 0.92 -0.07 0.11 0.00 0.50 0.00 0.00 28.75 30.22 2dzj h GLU 69 CO -0.32 0.21 0.45 -0.51 0.07 0.00 0.00 179.01 178.91 2dzj s ASP 70 N -5.08 5.09 0.05 3.06 1.11 0.10 -4.94 116.67 116.06 2dzj s ASP 70 Ca -0.09 2.33 0.01 0.00 0.18 0.00 0.00 52.55 54.98 2dzj s ASP 70 Cb 0.26 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 2dzj s ASP 70 CO 0.80 -1.66 -0.05 -0.69 1.18 0.00 0.00 175.17 174.75 2dzj s VAL 71 N -1.74 0.40 -1.15 -1.27 1.01 -1.26 -2.56 120.40 113.83 2dzj s VAL 71 Ca 0.76 -1.48 0.11 0.00 0.00 0.00 0.00 61.98 61.36 2dzj s VAL 71 Cb -0.29 -1.08 0.12 0.00 0.00 0.00 0.00 36.38 35.14 2dzj s VAL 71 CO 0.35 -0.72 1.31 0.18 0.00 0.00 0.00 175.10 176.22 2dzj n LEU 72 N 0.70 0.00 -0.00 3.92 4.77 -1.09 0.22 117.00 125.53 2dzj n LEU 72 Ca -0.18 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2dzj n LEU 72 Cb 0.58 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2dzj n LEU 72 CO 0.25 -0.27 -0.25 0.00 -1.33 0.00 0.00 177.39 175.79 2dzj n GLN 73 N -1.43 2.83 -0.05 3.23 10.64 -0.56 -4.60 117.38 127.45 2dzj n GLN 73 Ca 0.03 -0.03 -0.01 0.00 -1.83 0.00 0.00 57.00 55.17 2dzj n GLN 73 Cb 0.11 -0.97 -0.14 0.00 -0.86 0.00 0.00 30.24 28.38 2dzj n GLN 73 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2dzj n LYS 74 N -1.41 0.94 -1.22 2.61 5.02 -0.75 -5.00 118.16 118.36 2dzj n LYS 74 Ca 0.00 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 2dzj n LYS 74 Cb 0.14 -1.43 0.12 0.00 -0.02 0.00 0.00 35.03 33.84 2dzj n LYS 74 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2dzj n LEU 75 N -2.40 4.73 -0.75 -0.35 -0.00 0.13 -4.82 117.00 113.55 2dzj n LEU 75 Ca -0.17 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 2dzj n LEU 75 Cb 0.79 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 2dzj n LEU 75 CO 0.37 -1.56 0.18 -0.81 -0.00 0.00 0.00 177.39 175.57 2dzj n PRO 76 N -3.04 0.49 -4.53 1.47 -0.04 -1.26 -4.73 135.00 123.35 2dzj n PRO 76 Ca 0.14 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.33 2dzj n PRO 76 Cb 0.50 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2dzj n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dzj s VAL 77 N -0.25 2.06 0.00 0.52 1.01 -1.26 -5.16 120.40 117.32 2dzj s VAL 77 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2dzj s VAL 77 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2dzj s VAL 77 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2dzj n GLY 78 N -1.01 3.84 0.27 4.51 0.00 -1.26 -4.92 105.19 106.60 2dzj n GLY 78 Ca -0.04 -2.12 0.19 0.00 0.00 0.00 0.00 46.02 44.04 2dzj n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dzj n THR 79 N -0.30 -0.34 -3.03 2.61 -2.24 -1.26 -3.12 114.28 106.61 2dzj n THR 79 Ca 0.00 1.70 -0.44 0.00 -2.27 0.00 0.00 64.05 63.03 2dzj n THR 79 Cb 0.00 -2.61 -0.04 0.00 -2.10 0.00 0.00 70.33 65.58 2dzj n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dzj s THR 80 N -5.49 4.75 0.03 4.28 2.01 -1.26 -2.43 115.64 117.53 2dzj s THR 80 Ca -0.09 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.76 2dzj s THR 80 Cb 0.25 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 2dzj s THR 80 CO 0.63 -1.28 0.29 0.00 -0.69 0.00 0.00 174.62 173.56 2dzj s ALA 81 N 2.81 3.84 -0.06 7.40 0.00 0.10 -5.01 121.76 130.83 2dzj s ALA 81 Ca 0.19 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.60 2dzj s ALA 81 Cb -0.17 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 20.88 2dzj s ALA 81 CO 0.03 0.65 -0.10 0.99 0.00 0.00 0.00 175.76 177.33 2dzj s THR 82 N -1.35 0.98 -0.03 0.00 2.01 -1.26 -2.40 115.64 113.58 2dzj s THR 82 Ca 0.30 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.99 2dzj s THR 82 Cb -0.13 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2dzj s THR 82 CO 0.18 0.32 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.44 2dzj s LEU 83 N 0.78 2.04 -0.12 4.42 1.43 -1.17 -4.71 118.68 121.36 2dzj s LEU 83 Ca -0.13 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 2dzj s LEU 83 Cb -0.15 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2dzj s LEU 83 CO 0.02 0.27 0.11 -0.31 0.23 0.00 0.00 176.35 176.68 2dzj s TYR 84 N -0.42 3.50 -0.19 0.29 2.02 -0.80 -0.26 117.35 121.49 2dzj s TYR 84 Ca 0.05 0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 57.09 2dzj s TYR 84 Cb -0.10 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 2dzj s TYR 84 CO 0.00 0.65 0.18 0.12 -1.57 0.00 0.00 175.55 174.93 2dzj s PHE 85 N -0.90 3.42 -0.04 2.71 2.19 0.22 -2.25 117.98 123.33 2dzj s PHE 85 Ca 0.14 0.39 0.06 0.00 0.33 0.00 0.00 56.93 57.85 2dzj s PHE 85 Cb -0.12 -2.22 -0.01 0.00 -1.31 0.00 0.00 43.02 39.36 2dzj s PHE 85 CO 0.03 0.26 -0.22 0.50 1.83 0.00 0.00 175.22 177.62 2dzj s ARG 86 N 0.44 2.04 -0.14 10.12 6.06 -0.09 -1.31 118.95 136.07 2dzj s ARG 86 Ca 0.10 -0.78 -0.29 0.00 -2.50 0.00 0.00 55.73 52.25 2dzj s ARG 86 Cb -0.12 -1.83 -0.02 0.00 0.06 0.00 0.00 34.95 33.04 2dzj s ARG 86 CO -0.00 0.39 1.35 0.16 -2.50 0.00 0.00 175.30 174.69 2dzj s ASP 87 N -0.26 6.89 0.00 -2.12 -4.77 -1.26 -3.22 116.67 111.92 2dzj s ASP 87 Ca 0.01 1.81 0.00 0.00 -3.30 0.00 0.00 52.55 51.08 2dzj s ASP 87 Cb -0.11 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2dzj s ASP 87 CO 0.01 -0.79 0.29 0.18 0.70 0.00 0.00 175.17 175.56