#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 3.47 -3.84 1.61 2.88 -1.26 -4.92 113.62 111.56 2dzj n SER 2 Ca 0.00 -3.41 -0.26 0.00 -1.33 0.00 0.00 58.87 53.86 2dzj n SER 2 Cb 0.00 -0.52 0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2dzj n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dzj n SER 3 N -0.23 -2.95 0.00 -3.46 7.64 -1.26 -4.86 113.62 108.50 2dzj n SER 3 Ca 0.29 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2dzj n SER 3 Cb 0.62 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 2dzj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dzj n GLY 4 N -1.66 0.32 3.08 0.23 0.00 -1.26 -5.14 105.19 100.76 2dzj n GLY 4 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2dzj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dzj s SER 5 N 1.00 0.11 -0.16 1.61 0.01 -1.26 -5.12 113.70 109.89 2dzj s SER 5 Ca 0.00 0.68 -0.37 0.00 1.31 0.00 0.00 55.95 57.58 2dzj s SER 5 Cb 0.00 0.80 -0.14 0.00 0.21 0.00 0.00 66.02 66.90 2dzj s SER 5 CO 0.00 -0.23 1.81 -1.20 0.41 0.00 0.00 173.24 174.03 2dzj n SER 6 N 5.17 2.96 0.00 2.44 7.64 -1.26 -4.69 113.62 125.88 2dzj n SER 6 Ca -0.10 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2dzj n SER 6 Cb 0.50 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2dzj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dzj n GLY 7 N 4.27 3.58 3.93 0.23 0.00 -1.26 -5.12 105.19 110.82 2dzj n GLY 7 Ca 0.24 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 2dzj n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dzj s MET 8 N -5.10 2.22 -0.47 1.61 1.00 -1.26 -5.07 119.30 112.23 2dzj s MET 8 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 55.69 55.44 2dzj s MET 8 Cb 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 34.83 32.77 2dzj s MET 8 CO 0.00 -1.20 0.22 0.21 0.00 0.00 0.00 175.02 174.25 2dzj s LYS 9 N -5.21 1.73 1.05 2.03 2.47 -1.26 -5.11 119.74 115.44 2dzj s LYS 9 Ca 0.60 -2.35 -0.16 0.00 -1.56 0.00 0.00 55.97 52.49 2dzj s LYS 9 Cb -0.11 -3.06 0.22 0.00 -1.46 0.00 0.00 37.83 33.42 2dzj s LYS 9 CO 0.44 -1.09 1.17 -1.01 0.16 0.00 0.00 175.35 175.02 2dzj s HIS 10 N 0.05 1.39 0.15 4.03 3.76 -1.26 -5.04 115.29 118.37 2dzj s HIS 10 Ca 0.16 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.53 2dzj s HIS 10 Cb -0.25 -3.60 -0.07 0.00 1.11 0.00 0.00 32.58 29.78 2dzj s HIS 10 CO -0.02 -3.12 0.50 0.71 -0.85 0.00 0.00 174.74 171.96 2dzj s TYR 11 N -3.31 3.54 -0.36 1.40 1.51 -0.70 -4.93 117.35 114.51 2dzj s TYR 11 Ca 0.70 0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 57.57 2dzj s TYR 11 Cb -0.10 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2dzj s TYR 11 CO 0.55 0.41 0.17 -1.21 -1.11 0.00 0.00 175.55 174.36 2dzj s GLU 12 N -2.21 2.74 -0.24 -0.62 8.01 -0.40 -3.24 118.70 122.74 2dzj s GLU 12 Ca 0.39 -1.12 0.02 0.00 0.01 0.00 0.00 54.97 54.27 2dzj s GLU 12 Cb -0.14 -3.63 0.05 0.00 -4.31 0.00 0.00 34.13 26.10 2dzj s GLU 12 CO 0.20 -0.69 -0.13 0.08 0.01 0.00 0.00 175.26 174.73 2dzj s VAL 13 N 1.49 2.22 -0.44 2.63 1.01 -0.83 -1.06 120.40 125.43 2dzj s VAL 13 Ca 0.01 -1.40 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 2dzj s VAL 13 Cb -0.19 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.08 2dzj s VAL 13 CO 0.05 0.13 0.29 -1.83 0.00 0.00 0.00 175.10 173.75 2dzj s GLU 14 N 1.17 2.57 -0.74 2.72 -1.05 -1.08 -1.59 118.70 120.70 2dzj s GLU 14 Ca -0.04 -1.56 -0.27 0.00 -0.15 0.00 0.00 54.97 52.95 2dzj s GLU 14 Cb -0.18 -3.83 0.02 0.00 -0.44 0.00 0.00 34.13 29.70 2dzj s GLU 14 CO -0.07 -1.03 1.40 0.42 0.95 0.00 0.00 175.26 176.92 2dzj s ILE 15 N 1.41 3.67 0.44 1.83 1.01 -0.51 -3.17 121.20 125.88 2dzj s ILE 15 Ca 0.04 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.02 2dzj s ILE 15 Cb -0.24 -4.76 0.01 0.00 0.01 0.00 0.00 42.46 37.48 2dzj s ILE 15 CO 0.01 -1.70 0.61 -0.76 0.00 0.00 0.00 174.94 173.10 2dzj s LEU 16 N 6.29 3.60 0.50 2.97 1.43 0.44 -2.44 118.68 131.46 2dzj s LEU 16 Ca 0.42 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2dzj s LEU 16 Cb -0.08 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2dzj s LEU 16 CO 0.14 -0.82 0.88 -0.62 0.23 0.00 0.00 176.35 176.16 2dzj s ASP 17 N -4.35 6.41 0.00 2.29 2.15 -1.18 0.07 116.67 122.06 2dzj s ASP 17 Ca 0.55 1.24 0.27 0.00 0.43 0.00 0.00 52.55 55.04 2dzj s ASP 17 Cb -0.10 -2.38 0.85 0.00 -0.30 0.00 0.00 42.92 40.99 2dzj s ASP 17 CO 0.34 -0.60 1.62 0.00 -0.17 0.00 0.00 175.17 176.36 2dzj n ALA 18 N -1.95 3.01 -0.27 3.66 0.00 -0.94 -2.95 120.51 121.07 2dzj n ALA 18 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2dzj n ALA 18 Cb 0.54 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2dzj n ALA 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2dzj n LYS 19 N -0.71 0.00 0.09 0.00 3.00 -1.26 -4.79 118.16 114.49 2dzj n LYS 19 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.57 2dzj n LYS 19 Cb 0.34 -0.08 0.45 0.00 0.00 0.00 0.00 35.03 35.73 2dzj n LYS 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dzj n THR 20 N -2.13 0.53 -3.85 3.15 -2.24 -1.26 -4.93 114.28 103.54 2dzj n THR 20 Ca 0.00 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2dzj n THR 20 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2dzj n THR 20 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dzj n ARG 21 N -2.12 -3.37 -4.14 -0.78 1.74 -1.15 -4.91 116.66 101.92 2dzj n ARG 21 Ca 0.05 0.46 -0.33 0.00 -0.77 0.00 0.00 57.85 57.27 2dzj n ARG 21 Cb 0.39 -4.62 -0.07 0.00 -1.02 0.00 0.00 32.46 27.14 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 -6.33 3.02 -0.27 5.56 0.41 -1.26 -4.61 118.70 115.20 2dzj s GLU 22 Ca 0.07 -0.50 -0.28 0.00 -0.41 0.00 0.00 54.97 53.85 2dzj s GLU 22 Cb -0.02 -2.83 -0.05 0.00 -1.78 0.00 0.00 34.13 29.45 2dzj s GLU 22 CO 0.87 0.65 2.21 0.21 -0.49 0.00 0.00 175.26 178.71 2dzj s LYS 23 N -1.64 2.98 -0.21 1.61 2.47 -1.26 -3.07 119.74 120.61 2dzj s LYS 23 Ca 0.22 1.86 -0.01 0.00 -1.56 0.00 0.00 55.97 56.48 2dzj s LYS 23 Cb -0.12 -4.39 -0.20 0.00 -1.46 0.00 0.00 37.83 31.65 2dzj s LYS 23 CO 0.12 -2.28 -0.01 1.28 0.16 0.00 0.00 175.35 174.63 2dzj n LEU 24 N 12.26 2.83 -3.70 5.43 4.77 -1.02 -5.00 117.00 132.57 2dzj n LEU 24 Ca 0.30 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2dzj n LEU 24 Cb 0.47 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 2dzj n LEU 24 CO 0.67 0.90 0.16 0.00 -1.33 0.00 0.00 177.39 177.79 2dzj s PHE 26 N 0.52 2.67 -0.60 0.00 5.36 -1.26 -1.42 117.98 123.25 2dzj s PHE 26 Ca -0.02 -1.98 -0.07 0.00 -0.96 0.00 0.00 56.93 53.90 2dzj s PHE 26 Cb -0.04 -1.76 0.16 0.00 -0.34 0.00 0.00 43.02 41.03 2dzj s PHE 26 CO -0.03 -0.82 0.45 -0.51 -1.46 0.00 0.00 175.22 172.86 2dzj s LEU 27 N 1.30 5.65 -0.01 6.12 1.43 -0.62 -4.89 118.68 127.66 2dzj s LEU 27 Ca -0.05 -2.49 0.12 0.00 -1.03 0.00 0.00 54.13 50.68 2dzj s LEU 27 Cb -0.19 -1.96 0.35 0.00 0.03 0.00 0.00 46.19 44.42 2dzj s LEU 27 CO -0.07 -0.51 1.28 -0.67 0.23 0.00 0.00 176.35 176.61 2dzj n ASP 28 N 4.07 2.15 -2.31 2.29 2.03 -1.26 -1.97 116.55 121.56 2dzj n ASP 28 Ca 0.04 -2.02 -0.18 0.00 0.52 0.00 0.00 54.79 53.14 2dzj n ASP 28 Cb 0.41 -0.28 0.03 0.00 -0.72 0.00 0.00 41.12 40.55 2dzj n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dzj n LYS 29 N 0.62 3.01 -3.74 -0.67 4.01 -1.23 -4.23 118.16 115.94 2dzj n LYS 29 Ca 0.13 -4.00 -0.33 0.00 -0.51 0.00 0.00 58.31 53.60 2dzj n LYS 29 Cb 0.35 -2.06 -0.05 0.00 -0.51 0.00 0.00 35.03 32.76 2dzj n LYS 29 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2dzj s VAL 30 N -4.45 5.25 0.31 -0.18 1.01 -1.20 -4.90 120.40 116.25 2dzj s VAL 30 Ca 0.44 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 2dzj s VAL 30 Cb 0.39 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 2dzj s VAL 30 CO -0.01 0.21 0.75 -1.61 0.00 0.00 0.00 175.10 174.43 2dzj s GLU 31 N -2.21 4.05 0.28 2.72 0.41 -1.26 -1.72 118.70 120.97 2dzj s GLU 31 Ca 0.34 0.72 0.07 0.00 -0.41 0.00 0.00 54.97 55.69 2dzj s GLU 31 Cb -0.13 -2.48 0.41 0.00 -1.78 0.00 0.00 34.13 30.15 2dzj s GLU 31 CO 0.21 0.18 1.67 -1.00 -0.49 0.00 0.00 175.26 175.83 2dzj h PRO 32 N 2.40 0.21 0.00 0.39 0.13 -1.97 -2.77 132.00 130.39 2dzj h PRO 32 Ca -0.48 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2dzj h PRO 32 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dzj h PRO 32 CO 0.65 0.64 -0.14 -2.39 -0.23 0.00 0.00 178.00 176.53 2dzj n HIS 33 N -3.98 0.58 -1.69 1.56 1.44 -1.26 -2.13 115.22 109.75 2dzj n HIS 33 Ca -0.02 0.17 -0.43 0.00 -2.01 0.00 0.00 57.72 55.44 2dzj n HIS 33 Cb 0.52 -0.74 -0.03 0.00 0.12 0.00 0.00 29.99 29.85 2dzj n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dzj n ALA 34 N -1.71 2.08 -2.07 1.59 0.00 -1.05 -4.81 120.51 114.55 2dzj n ALA 34 Ca 0.06 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.53 2dzj n ALA 34 Cb 0.40 -2.59 0.03 0.00 0.00 0.00 0.00 19.45 17.29 2dzj n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dzj s THR 35 N 2.89 3.65 0.27 0.00 -4.23 -1.26 -3.05 115.64 113.91 2dzj s THR 35 Ca 0.83 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2dzj s THR 35 Cb -0.49 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.15 2dzj s THR 35 CO 0.38 -0.48 1.74 0.40 -0.54 0.00 0.00 174.62 176.13 2dzj h ILE 36 N -0.21 0.66 -0.62 2.99 1.08 -1.60 -0.79 117.51 119.02 2dzj h ILE 36 Ca -0.45 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 63.95 2dzj h ILE 36 Cb 1.26 0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 34.95 2dzj h ILE 36 CO 0.61 0.10 0.05 0.00 -0.69 0.00 0.00 178.15 178.22 2dzj h ALA 37 N 1.60 0.66 -0.16 1.87 0.00 -1.88 -1.49 119.26 119.85 2dzj h ALA 37 Ca 0.49 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 2dzj h ALA 37 Cb 0.77 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dzj h ALA 37 CO -0.41 -0.37 0.06 0.93 0.00 0.00 0.00 179.25 179.46 2dzj h GLU 38 N 0.16 0.25 -0.76 0.00 4.39 -1.53 -3.00 114.58 114.09 2dzj h GLU 38 Ca 0.33 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.15 2dzj h GLU 38 Cb 0.52 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.00 2dzj h GLU 38 CO -0.49 0.35 -0.01 0.82 -1.16 0.00 0.00 179.01 178.52 2dzj h ILE 39 N 0.10 0.33 -0.61 3.13 1.08 -0.81 0.18 117.51 120.89 2dzj h ILE 39 Ca 0.05 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 2dzj h ILE 39 Cb 0.20 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.11 2dzj h ILE 39 CO -0.00 0.02 0.31 0.11 -0.69 0.00 0.00 178.15 177.89 2dzj h LYS 40 N 0.09 0.56 0.01 2.37 1.57 -1.27 -2.59 116.57 117.32 2dzj h LYS 40 Ca 0.41 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.19 2dzj h LYS 40 Cb 0.73 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2dzj h LYS 40 CO -0.68 0.37 -0.22 -0.91 -0.57 0.00 0.00 179.45 177.44 2dzj h ASN 41 N 0.57 -0.64 -0.25 0.86 2.35 -0.59 -2.95 115.58 114.93 2dzj h ASN 41 Ca 0.28 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 2dzj h ASN 41 Cb 0.22 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 2dzj h ASN 41 CO -0.20 -0.29 -0.30 -0.07 -1.65 0.00 0.00 177.43 174.92 2dzj h LEU 42 N -0.36 -1.01 -1.52 1.61 3.38 -1.01 0.28 115.31 116.69 2dzj h LEU 42 Ca 0.06 0.13 0.49 0.00 0.09 0.00 0.00 57.88 58.65 2dzj h LEU 42 Cb 0.43 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2dzj h LEU 42 CO -0.19 -0.20 0.99 0.15 0.09 0.00 0.00 178.44 179.28 2dzj h PHE 43 N -0.19 0.40 -0.51 1.13 3.04 -1.40 1.37 116.94 120.79 2dzj h PHE 43 Ca 0.04 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 2dzj h PHE 43 Cb 0.30 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 2dzj h PHE 43 CO -0.70 -0.22 -0.00 1.15 -2.02 0.00 0.00 178.31 176.51 2dzj h THR 44 N 0.01 1.26 -0.46 4.41 2.02 -0.29 -3.16 112.91 116.70 2dzj h THR 44 Ca 0.89 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2dzj h THR 44 Cb 3.01 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 70.32 2dzj h THR 44 CO -0.37 0.38 -0.27 0.29 0.37 0.00 0.00 175.52 175.92 2dzj n LYS 45 N -4.31 -0.20 0.52 6.66 5.02 0.47 -1.34 118.16 124.98 2dzj n LYS 45 Ca 0.01 0.97 -0.20 0.00 -2.02 0.00 0.00 58.31 57.07 2dzj n LYS 45 Cb 0.32 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 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 -3.28 -0.18 2.02 -1.66 -3.38 112.91 106.43 2dzj h THR 46 Ca 0.07 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 66.52 2dzj h THR 46 Cb 0.19 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 66.31 2dzj h THR 46 CO -0.43 0.00 -0.35 -1.00 0.37 0.00 0.00 175.52 174.11 2dzj s HIS 47 N -5.88 3.40 0.09 3.16 3.76 -0.45 -4.94 115.29 114.44 2dzj s HIS 47 Ca -0.19 -1.79 -0.16 0.00 -0.15 0.00 0.00 55.06 52.77 2dzj s HIS 47 Cb 0.02 -3.56 -0.10 0.00 1.11 0.00 0.00 32.58 30.05 2dzj s HIS 47 CO 0.58 -1.00 1.41 -1.00 -0.85 0.00 0.00 174.74 173.88 2dzj h PRO 48 N 8.48 0.63 -1.05 8.40 0.13 -1.58 -3.14 132.00 143.88 2dzj h PRO 48 Ca -0.21 -0.33 0.27 0.00 -0.87 0.00 0.00 66.00 64.86 2dzj h PRO 48 Cb 1.07 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 2dzj h PRO 48 CO 0.89 0.93 0.67 1.96 -0.23 0.00 0.00 178.00 182.22 2dzj h GLN 49 N 0.35 0.39 -5.81 0.86 4.20 -1.92 -3.23 115.11 109.95 2dzj h GLN 49 Ca 0.04 -0.02 -0.67 0.00 0.06 0.00 0.00 58.65 58.06 2dzj h GLN 49 Cb 0.82 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.42 2dzj h GLN 49 CO 0.06 0.26 1.98 -1.58 -0.67 0.00 0.00 178.83 178.89 2dzj s TRP 50 N -5.51 2.79 0.98 2.96 0.52 -1.19 -4.99 118.94 114.51 2dzj s TRP 50 Ca -0.09 -1.51 -0.12 0.00 0.02 0.00 0.00 56.10 54.40 2dzj s TRP 50 Cb 0.26 -4.71 0.14 0.00 -1.15 0.00 0.00 33.47 28.01 2dzj s TRP 50 CO 0.80 -1.80 0.87 2.48 0.02 0.00 0.00 176.95 179.32 2dzj n TYR 51 N 8.26 -0.21 0.26 -1.98 4.11 -1.22 -4.66 117.16 121.72 2dzj n TYR 51 Ca 0.45 0.25 0.15 0.00 -0.00 0.00 0.00 57.90 58.74 2dzj n TYR 51 Cb 0.47 -1.87 0.64 0.00 -0.00 0.00 0.00 39.34 38.58 2dzj n TYR 51 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 2dzj h PRO 52 N -1.97 0.00 0.00 -3.48 0.13 -1.91 -2.83 132.00 121.93 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dzj h PRO 52 CO 0.41 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 2dzj n ALA 53 N -2.15 1.14 -0.07 -0.56 0.00 -1.26 -3.08 120.51 114.53 2dzj n ALA 53 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2dzj n ALA 53 Cb 0.33 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2dzj n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dzj n ARG 54 N -1.82 0.39 -1.28 0.00 1.74 -1.07 -4.92 116.66 109.69 2dzj n ARG 54 Ca 0.00 0.16 -0.26 0.00 -0.77 0.00 0.00 57.85 56.98 2dzj n ARG 54 Cb 0.05 -1.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 2dzj n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dzj n GLN 55 N -4.03 0.00 -3.34 5.56 6.02 -1.18 -4.67 117.38 115.74 2dzj n GLN 55 Ca -0.23 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.33 2dzj n GLN 55 Cb 0.55 -1.04 -0.08 0.00 1.02 0.00 0.00 30.24 30.69 2dzj n GLN 55 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dzj s SER 56 N 3.35 6.17 -0.05 1.08 0.01 -1.25 -4.98 113.70 118.02 2dzj s SER 56 Ca 1.14 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 2dzj s SER 56 Cb -0.88 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.09 2dzj s SER 56 CO 0.46 -0.66 0.24 -0.76 0.41 0.00 0.00 173.24 172.93 2dzj s LEU 57 N 1.96 4.40 -0.11 2.44 1.43 -1.24 -1.91 118.68 125.65 2dzj s LEU 57 Ca 0.08 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.71 2dzj s LEU 57 Cb -0.21 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.67 2dzj s LEU 57 CO 0.10 0.34 0.29 -0.13 0.23 0.00 0.00 176.35 177.17 2dzj s ARG 58 N -1.27 0.30 0.64 1.70 0.52 -0.93 -1.46 118.95 118.45 2dzj s ARG 58 Ca 0.21 0.48 0.39 0.00 -0.52 0.00 0.00 55.73 56.29 2dzj s ARG 58 Cb -0.13 0.05 2.12 0.00 0.52 0.00 0.00 34.95 37.50 2dzj s ARG 58 CO 0.10 -0.09 2.19 -0.07 0.02 0.00 0.00 175.30 177.45 2dzj h LEU 59 N 6.36 0.00 -7.22 2.53 3.38 -1.84 -2.56 115.31 115.96 2dzj h LEU 59 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2dzj h LEU 59 Cb 1.18 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 2dzj h LEU 59 CO 0.34 0.00 0.00 -1.81 0.09 0.00 0.00 178.44 177.06 2dzj s ASP 60 N -4.85 -0.45 0.00 -0.43 1.01 -1.26 -4.90 116.67 105.79 2dzj s ASP 60 Ca -0.04 0.35 0.15 0.00 0.71 0.00 0.00 52.55 53.72 2dzj s ASP 60 Cb 0.11 0.46 0.75 0.00 1.01 0.00 0.00 42.92 45.25 2dzj s ASP 60 CO 0.35 -0.60 1.40 -0.81 0.21 0.00 0.00 175.17 175.73 2dzj n PRO 61 N 0.85 0.22 -0.34 8.23 -0.04 -1.26 -2.21 135.00 140.45 2dzj n PRO 61 Ca -0.19 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 2dzj n PRO 61 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.28 0.92 0.00 0.54 5.02 -1.26 -5.05 118.16 117.05 2dzj n LYS 62 Ca 0.07 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 2dzj n LYS 62 Cb 0.12 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.91 3.22 3.20 0.72 0.00 -0.94 -5.15 105.19 105.34 2dzj n GLY 63 Ca 0.12 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 2dzj n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dzj s LYS 64 N 4.12 0.96 0.29 1.61 0.00 -1.26 -5.01 119.74 120.44 2dzj s LYS 64 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 55.97 54.77 2dzj s LYS 64 Cb 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 37.83 36.63 2dzj s LYS 64 CO 0.00 0.24 0.31 -1.13 0.00 0.00 0.00 175.35 174.78 2dzj n SER 65 N 1.42 -1.99 -4.86 0.03 3.41 -1.26 -4.60 113.62 105.76 2dzj n SER 65 Ca -0.20 0.97 -0.31 0.00 -0.26 0.00 0.00 58.87 59.07 2dzj n SER 65 Cb 0.54 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 2dzj n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dzj s LEU 66 N 3.60 3.67 0.03 1.04 1.43 -0.54 -4.99 118.68 122.92 2dzj s LEU 66 Ca 0.61 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 2dzj s LEU 66 Cb -0.78 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.15 2dzj s LEU 66 CO 0.59 -0.53 -0.05 -0.54 0.23 0.00 0.00 176.35 176.04 2dzj s LYS 67 N -4.13 2.53 0.39 1.70 3.01 -1.26 -4.95 119.74 117.04 2dzj s LYS 67 Ca 0.54 -0.77 0.18 0.00 -1.01 0.00 0.00 55.97 54.92 2dzj s LYS 67 Cb -0.10 -2.51 1.10 0.00 -1.01 0.00 0.00 37.83 35.31 2dzj s LYS 67 CO 0.34 0.58 1.77 0.38 0.51 0.00 0.00 175.35 178.93 2dzj h ASP 68 N 4.19 0.45 -1.12 2.83 2.03 -1.98 0.27 116.42 123.10 2dzj h ASP 68 Ca -0.48 0.09 0.31 0.00 -0.73 0.00 0.00 57.03 56.22 2dzj h ASP 68 Cb 1.17 0.02 -0.07 0.00 -0.83 0.00 0.00 39.33 39.62 2dzj h ASP 68 CO 0.55 0.08 0.77 1.05 -1.03 0.00 0.00 179.24 180.66 2dzj h GLU 69 N 0.40 0.14 -7.12 4.15 4.11 -1.99 -3.30 114.58 110.97 2dzj h GLU 69 Ca 0.60 -0.01 -0.54 0.00 0.07 0.00 0.00 59.36 59.48 2dzj h GLU 69 Cb 1.51 -0.03 0.14 0.00 0.50 0.00 0.00 28.75 30.87 2dzj h GLU 69 CO -0.31 0.10 0.47 -0.51 0.07 0.00 0.00 179.01 178.83 2dzj s ASP 70 N -5.20 4.75 0.04 3.06 1.11 0.95 -4.95 116.67 116.43 2dzj s ASP 70 Ca -0.06 2.48 0.01 0.00 0.18 0.00 0.00 52.55 55.16 2dzj s ASP 70 Cb 0.24 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 2dzj s ASP 70 CO 0.80 -1.90 -0.06 -0.69 1.18 0.00 0.00 175.17 174.50 2dzj s VAL 71 N -1.59 0.39 -0.59 -1.27 1.01 -1.26 -2.78 120.40 114.31 2dzj s VAL 71 Ca 0.79 -1.21 0.16 0.00 0.00 0.00 0.00 61.98 61.73 2dzj s VAL 71 Cb -0.33 -0.72 0.16 0.00 0.00 0.00 0.00 36.38 35.49 2dzj s VAL 71 CO 0.38 -0.54 1.50 0.18 0.00 0.00 0.00 175.10 176.62 2dzj n LEU 72 N 1.18 0.38 -0.00 3.92 4.77 -1.17 0.14 117.00 126.22 2dzj n LEU 72 Ca -0.21 0.63 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2dzj n LEU 72 Cb 0.56 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2dzj n LEU 72 CO 0.22 -0.62 -0.28 0.00 -1.33 0.00 0.00 177.39 175.38 2dzj n GLN 73 N -1.96 2.22 -0.08 3.23 10.64 -0.91 -4.55 117.38 125.98 2dzj n GLN 73 Ca 0.01 -0.04 -0.07 0.00 -1.83 0.00 0.00 57.00 55.07 2dzj n GLN 73 Cb 0.11 -1.10 -0.16 0.00 -0.86 0.00 0.00 30.24 28.23 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 -1.51 0.68 -1.15 2.61 4.76 -0.59 -4.98 118.16 117.99 2dzj n LYS 74 Ca 0.00 -0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 2dzj n LYS 74 Cb 0.21 -1.55 0.12 0.00 -1.84 0.00 0.00 35.03 31.97 2dzj n LYS 74 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2dzj n LEU 75 N -2.72 4.23 -0.76 -0.35 -0.00 0.12 -4.81 117.00 112.72 2dzj n LEU 75 Ca -0.27 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 2dzj n LEU 75 Cb 1.06 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2dzj n LEU 75 CO 0.44 -1.77 0.18 -0.81 -0.00 0.00 0.00 177.39 175.43 2dzj n PRO 76 N -3.01 0.48 -4.55 1.47 -0.04 -1.26 -4.73 135.00 123.36 2dzj n PRO 76 Ca 0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 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 -0.20 2.13 0.00 0.52 1.01 -1.26 -5.16 120.40 117.43 2dzj s VAL 77 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.93 2dzj s VAL 77 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2dzj s VAL 77 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2dzj n GLY 78 N -0.93 2.35 0.32 4.51 0.00 -1.26 -4.90 105.19 105.28 2dzj n GLY 78 Ca -0.05 -1.88 0.16 0.00 0.00 0.00 0.00 46.02 44.26 2dzj n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dzj h THR 79 N 0.00 0.49 -3.71 2.61 1.35 -1.94 -3.31 112.91 108.41 2dzj h THR 79 Ca 0.00 0.00 -0.75 0.00 -0.55 0.00 0.00 66.41 65.11 2dzj h THR 79 Cb 0.00 0.89 -0.29 0.00 -1.73 0.00 0.00 68.15 67.01 2dzj h THR 79 CO 0.00 0.00 -0.08 -0.89 -0.25 0.00 0.00 175.52 174.30 2dzj s THR 80 N -4.64 4.90 0.08 6.82 2.01 -1.26 -1.27 115.64 122.27 2dzj s THR 80 Ca -0.05 -2.65 -0.14 0.00 0.31 0.00 0.00 61.69 59.16 2dzj s THR 80 Cb 0.15 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 2dzj s THR 80 CO 0.55 -0.97 0.48 0.00 -0.69 0.00 0.00 174.62 173.99 2dzj s ALA 81 N 0.09 3.64 -0.12 7.40 0.00 -0.22 -5.00 121.76 127.54 2dzj s ALA 81 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.98 2dzj s ALA 81 Cb -0.14 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.54 2dzj s ALA 81 CO -0.07 0.48 -0.18 0.99 0.00 0.00 0.00 175.76 176.98 2dzj s THR 82 N -1.29 1.75 -0.00 0.00 2.01 -1.26 -2.63 115.64 114.22 2dzj s THR 82 Ca 0.31 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.60 2dzj s THR 82 Cb -0.16 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2dzj s THR 82 CO 0.17 0.49 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.61 2dzj s LEU 83 N 0.94 2.34 -0.15 4.42 1.43 -1.19 -4.70 118.68 121.77 2dzj s LEU 83 Ca -0.06 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2dzj s LEU 83 Cb -0.15 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2dzj s LEU 83 CO -0.02 0.30 0.01 -0.31 0.23 0.00 0.00 176.35 176.56 2dzj s TYR 84 N -0.73 3.15 -0.03 0.29 2.02 -0.96 -0.42 117.35 120.66 2dzj s TYR 84 Ca 0.12 -0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.68 2dzj s TYR 84 Cb -0.10 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 2dzj s TYR 84 CO 0.01 0.18 0.31 0.12 -1.57 0.00 0.00 175.55 174.60 2dzj s PHE 85 N 0.02 3.67 -0.04 2.71 2.19 0.11 -2.20 117.98 124.44 2dzj s PHE 85 Ca 0.03 0.80 0.03 0.00 0.33 0.00 0.00 56.93 58.12 2dzj s PHE 85 Cb -0.13 -2.14 0.00 0.00 -1.31 0.00 0.00 43.02 39.44 2dzj s PHE 85 CO 0.02 0.67 -0.13 0.50 1.83 0.00 0.00 175.22 178.11 2dzj s ARG 86 N -1.17 1.36 -0.08 10.12 6.06 -0.80 -2.21 118.95 132.23 2dzj s ARG 86 Ca 0.22 -0.44 -0.30 0.00 -2.50 0.00 0.00 55.73 52.71 2dzj s ARG 86 Cb -0.15 -1.22 -0.02 0.00 0.06 0.00 0.00 34.95 33.62 2dzj s ARG 86 CO 0.11 0.17 1.11 0.16 -2.50 0.00 0.00 175.30 174.35 2dzj s ASP 87 N 0.15 7.14 0.00 -2.12 -4.77 -1.26 -3.90 116.67 111.91 2dzj s ASP 87 Ca -0.04 1.68 0.23 0.00 -3.30 0.00 0.00 52.55 51.12 2dzj s ASP 87 Cb -0.10 -2.56 0.18 0.00 -1.09 0.00 0.00 42.92 39.35 2dzj s ASP 87 CO 0.01 -0.52 1.24 0.18 0.70 0.00 0.00 175.17 176.78