#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzj s SER 2 N 0.00 1.68 0.04 1.61 0.15 -1.26 -5.14 113.70 110.79 2dzj s SER 2 Ca 0.00 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 2dzj s SER 2 Cb 0.00 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 2dzj s SER 2 CO 0.00 -0.12 0.05 -0.44 1.20 0.00 0.00 173.24 173.93 2dzj s SER 3 N 1.56 0.27 -0.37 5.45 0.01 -1.26 -5.09 113.70 114.26 2dzj s SER 3 Ca 0.00 -0.66 0.12 0.00 1.31 0.00 0.00 55.95 56.72 2dzj s SER 3 Cb -0.13 0.21 0.35 0.00 0.21 0.00 0.00 66.02 66.66 2dzj s SER 3 CO -0.04 -0.51 0.77 0.61 0.41 0.00 0.00 173.24 174.47 2dzj n GLY 4 N 0.68 3.30 3.56 3.44 0.00 -1.26 -5.05 105.19 109.86 2dzj n GLY 4 Ca -0.18 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 2dzj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dzj s SER 5 N -2.37 6.39 0.40 1.61 0.15 -1.26 -4.98 113.70 113.63 2dzj s SER 5 Ca 0.38 -1.34 -0.24 0.00 0.70 0.00 0.00 55.95 55.45 2dzj s SER 5 Cb 0.35 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 2dzj s SER 5 CO -0.07 -1.61 1.06 -0.55 1.20 0.00 0.00 173.24 173.26 2dzj s SER 6 N 5.14 6.75 0.00 5.45 0.15 -1.26 -4.91 113.70 125.02 2dzj s SER 6 Ca 0.47 2.06 0.00 0.00 0.70 0.00 0.00 55.95 59.18 2dzj s SER 6 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dzj s SER 6 CO -0.08 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2dzj n GLY 7 N 0.38 -1.64 2.79 9.45 0.00 -1.26 -5.12 105.19 109.79 2dzj n GLY 7 Ca 0.05 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 2dzj n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dzj s MET 8 N -0.33 0.79 -1.09 1.61 -2.45 -1.26 -5.08 119.30 111.49 2dzj s MET 8 Ca 0.00 -0.05 -0.16 0.00 -1.25 0.00 0.00 55.69 54.23 2dzj s MET 8 Cb 0.00 -1.28 0.16 0.00 1.25 0.00 0.00 34.83 34.95 2dzj s MET 8 CO 0.00 -0.36 1.29 0.21 1.05 0.00 0.00 175.02 177.21 2dzj s LYS 9 N 1.90 3.89 1.11 4.11 2.20 -1.26 -5.02 119.74 126.68 2dzj s LYS 9 Ca 0.04 -2.27 -0.15 0.00 -0.36 0.00 0.00 55.97 53.23 2dzj s LYS 9 Cb -0.13 -4.98 0.24 0.00 -1.51 0.00 0.00 37.83 31.45 2dzj s LYS 9 CO -0.06 -1.75 1.09 -1.01 -0.36 0.00 0.00 175.35 173.26 2dzj s HIS 10 N 1.92 1.33 0.22 4.03 3.76 -1.26 -5.02 115.29 120.27 2dzj s HIS 10 Ca 0.38 0.79 -0.16 0.00 -0.15 0.00 0.00 55.06 55.93 2dzj s HIS 10 Cb -0.04 -3.30 -0.08 0.00 1.11 0.00 0.00 32.58 30.27 2dzj s HIS 10 CO -0.04 -3.46 0.65 0.71 -0.85 0.00 0.00 174.74 171.74 2dzj s TYR 11 N -2.91 3.56 -0.36 1.40 1.51 -0.70 -4.90 117.35 114.94 2dzj s TYR 11 Ca 0.68 1.18 -0.09 0.00 -1.01 0.00 0.00 57.07 57.84 2dzj s TYR 11 Cb -0.16 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.25 2dzj s TYR 11 CO 0.58 0.31 0.16 -1.21 -1.11 0.00 0.00 175.55 174.28 2dzj s GLU 12 N -2.26 2.71 -0.27 -0.62 2.02 -0.71 -3.13 118.70 116.44 2dzj s GLU 12 Ca 0.44 -1.15 -0.00 0.00 0.02 0.00 0.00 54.97 54.28 2dzj s GLU 12 Cb -0.14 -3.60 0.04 0.00 0.10 0.00 0.00 34.13 30.53 2dzj s GLU 12 CO 0.20 -0.69 -0.06 0.08 0.02 0.00 0.00 175.26 174.80 2dzj s VAL 13 N 1.47 2.65 -0.49 2.63 1.01 -0.69 -0.92 120.40 126.07 2dzj s VAL 13 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 2dzj s VAL 13 Cb -0.19 -2.46 0.11 0.00 0.00 0.00 0.00 36.38 33.84 2dzj s VAL 13 CO 0.05 0.04 0.41 -1.83 0.00 0.00 0.00 175.10 173.77 2dzj s GLU 14 N 1.23 2.78 -0.72 2.72 -1.05 -1.01 -1.79 118.70 120.86 2dzj s GLU 14 Ca -0.04 -1.64 -0.27 0.00 -0.15 0.00 0.00 54.97 52.87 2dzj s GLU 14 Cb -0.19 -4.10 0.02 0.00 -0.44 0.00 0.00 34.13 29.42 2dzj s GLU 14 CO -0.04 -1.20 1.44 0.42 0.95 0.00 0.00 175.26 176.83 2dzj s ILE 15 N 1.51 3.63 0.43 1.83 1.01 -0.75 -3.11 121.20 125.75 2dzj s ILE 15 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.08 2dzj s ILE 15 Cb -0.27 -4.67 0.01 0.00 0.01 0.00 0.00 42.46 37.54 2dzj s ILE 15 CO 0.02 -1.61 0.58 -0.76 0.00 0.00 0.00 174.94 173.17 2dzj s LEU 16 N 6.61 3.65 0.43 2.97 1.43 0.67 -2.43 118.68 132.00 2dzj s LEU 16 Ca 0.44 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2dzj s LEU 16 Cb -0.09 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2dzj s LEU 16 CO 0.16 -0.77 0.77 -0.62 0.23 0.00 0.00 176.35 176.12 2dzj s ASP 17 N -4.34 6.43 0.00 2.29 2.15 -1.19 0.67 116.67 122.68 2dzj s ASP 17 Ca 0.54 1.06 0.27 0.00 0.43 0.00 0.00 52.55 54.86 2dzj s ASP 17 Cb -0.10 -2.30 0.93 0.00 -0.30 0.00 0.00 42.92 41.16 2dzj s ASP 17 CO 0.33 -0.46 1.68 0.00 -0.17 0.00 0.00 175.17 176.55 2dzj n ALA 18 N -1.62 2.58 0.03 3.66 0.00 -0.42 -2.78 120.51 121.97 2dzj n ALA 18 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2dzj n ALA 18 Cb 0.54 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.29 0.00 0.00 0.00 4.81 -1.26 -4.81 118.16 117.19 2dzj n LYS 19 Ca 0.18 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 2dzj n LYS 19 Cb 0.38 -0.29 0.37 0.00 0.02 0.00 0.00 35.03 35.51 2dzj n LYS 19 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2dzj n THR 20 N -3.11 0.00 -4.21 3.15 -2.24 -1.26 -4.95 114.28 101.66 2dzj n THR 20 Ca 0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2dzj n THR 20 Cb 0.00 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.32 -2.21 -3.99 -0.78 1.74 -1.12 -4.89 116.66 104.10 2dzj n ARG 21 Ca 0.08 0.27 -0.34 0.00 -0.77 0.00 0.00 57.85 57.08 2dzj n ARG 21 Cb 0.33 -4.40 -0.06 0.00 -1.02 0.00 0.00 32.46 27.31 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 -6.99 3.30 -0.28 5.56 0.41 -1.26 -4.61 118.70 114.82 2dzj s GLU 22 Ca 0.29 -0.34 -0.28 0.00 -0.41 0.00 0.00 54.97 54.23 2dzj s GLU 22 Cb -0.16 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.12 2dzj s GLU 22 CO 0.95 0.69 2.16 0.21 -0.49 0.00 0.00 175.26 178.78 2dzj s LYS 23 N -1.63 3.03 -0.18 1.61 2.47 -1.26 -3.15 119.74 120.63 2dzj s LYS 23 Ca 0.23 1.82 0.01 0.00 -1.56 0.00 0.00 55.97 56.47 2dzj s LYS 23 Cb -0.12 -4.37 -0.22 0.00 -1.46 0.00 0.00 37.83 31.66 2dzj s LYS 23 CO 0.13 -2.22 0.10 1.28 0.16 0.00 0.00 175.35 174.80 2dzj n LEU 24 N 11.98 2.41 -3.64 5.43 4.77 -1.02 -5.01 117.00 131.92 2dzj n LEU 24 Ca 0.29 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 2dzj n LEU 24 Cb 0.47 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 2dzj n LEU 24 CO 0.67 0.82 0.25 0.00 -1.33 0.00 0.00 177.39 177.81 2dzj s PHE 26 N -0.84 1.58 -0.65 0.00 5.36 -1.26 -1.81 117.98 120.37 2dzj s PHE 26 Ca -0.09 -1.55 -0.13 0.00 -0.96 0.00 0.00 56.93 54.20 2dzj s PHE 26 Cb -0.03 -1.56 0.17 0.00 -0.34 0.00 0.00 43.02 41.26 2dzj s PHE 26 CO 0.06 -0.82 0.57 -0.51 -1.46 0.00 0.00 175.22 173.06 2dzj s LEU 27 N 1.66 6.25 -0.02 6.12 1.43 -0.74 -4.87 118.68 128.52 2dzj s LEU 27 Ca 0.07 -2.25 0.13 0.00 -1.03 0.00 0.00 54.13 51.05 2dzj s LEU 27 Cb -0.17 -2.15 0.41 0.00 0.03 0.00 0.00 46.19 44.31 2dzj s LEU 27 CO -0.22 -0.68 1.32 -0.67 0.23 0.00 0.00 176.35 176.33 2dzj n ASP 28 N 4.55 2.59 -2.30 2.29 -0.08 -1.26 -1.70 116.55 120.64 2dzj n ASP 28 Ca -0.00 -2.07 -0.17 0.00 -1.51 0.00 0.00 54.79 51.04 2dzj n ASP 28 Cb 0.43 -0.34 0.03 0.00 2.34 0.00 0.00 41.12 43.57 2dzj n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dzj n LYS 29 N 0.76 2.99 -3.69 -0.67 4.01 -1.22 -4.18 118.16 116.16 2dzj n LYS 29 Ca 0.15 -3.97 -0.32 0.00 -0.51 0.00 0.00 58.31 53.67 2dzj n LYS 29 Cb 0.43 -2.05 -0.05 0.00 -0.51 0.00 0.00 35.03 32.85 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 -4.37 5.19 0.24 -0.18 1.01 -1.18 -4.89 120.40 116.22 2dzj s VAL 30 Ca 0.43 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 2dzj s VAL 30 Cb 0.38 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 2dzj s VAL 30 CO 0.00 0.11 0.69 -1.61 0.00 0.00 0.00 175.10 174.29 2dzj s GLU 31 N -2.48 4.11 0.21 2.72 0.41 -1.26 -1.73 118.70 120.68 2dzj s GLU 31 Ca 0.38 0.72 -0.03 0.00 -0.41 0.00 0.00 54.97 55.63 2dzj s GLU 31 Cb -0.12 -2.73 0.16 0.00 -1.78 0.00 0.00 34.13 29.66 2dzj s GLU 31 CO 0.23 0.33 1.56 -1.00 -0.49 0.00 0.00 175.26 175.89 2dzj h PRO 32 N 3.02 0.62 0.00 0.39 0.13 -1.98 -2.98 132.00 131.20 2dzj h PRO 32 Ca -0.48 -0.33 -0.06 0.00 -0.87 0.00 0.00 66.00 64.27 2dzj h PRO 32 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2dzj h PRO 32 CO 0.66 0.92 -0.28 1.12 -0.23 0.00 0.00 178.00 180.19 2dzj h HIS 33 N 0.51 0.00 -2.46 1.56 2.07 -1.94 -2.56 115.15 112.34 2dzj h HIS 33 Ca 0.04 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.96 2dzj h HIS 33 Cb 0.94 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.99 2dzj h HIS 33 CO 0.04 0.28 0.58 0.00 -3.07 0.00 0.00 177.93 175.76 2dzj n ALA 34 N -2.20 0.76 -1.96 6.11 0.00 -1.13 -4.73 120.51 117.35 2dzj n ALA 34 Ca 0.01 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 2dzj n ALA 34 Cb 0.54 -2.24 0.07 0.00 0.00 0.00 0.00 19.45 17.82 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 0.09 2.41 0.21 0.00 -4.23 -1.26 -2.84 115.64 110.01 2dzj s THR 35 Ca 0.71 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 2dzj s THR 35 Cb -0.70 -2.91 0.14 0.00 1.34 0.00 0.00 72.50 70.37 2dzj s THR 35 CO 0.48 0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.74 2dzj h ILE 36 N -0.33 0.89 -0.69 2.99 1.08 -1.54 -2.12 117.51 117.79 2dzj h ILE 36 Ca -0.42 -0.19 0.15 0.00 -0.39 0.00 0.00 64.86 64.01 2dzj h ILE 36 Cb 1.30 0.28 -0.12 0.00 -3.07 0.00 0.00 36.82 35.20 2dzj h ILE 36 CO 0.52 0.10 0.00 0.00 -0.69 0.00 0.00 178.15 178.09 2dzj h ALA 37 N 1.37 0.70 -0.34 1.87 0.00 -1.87 -0.35 119.26 120.64 2dzj h ALA 37 Ca 0.30 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2dzj h ALA 37 Cb 0.26 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dzj h ALA 37 CO -0.22 -0.41 0.17 0.93 0.00 0.00 0.00 179.25 179.72 2dzj h GLU 38 N 0.11 0.48 -0.77 0.00 5.08 -1.77 -2.89 114.58 114.82 2dzj h GLU 38 Ca 0.37 -0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.84 2dzj h GLU 38 Cb 0.63 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.65 2dzj h GLU 38 CO -0.60 0.42 0.00 0.82 -1.00 0.00 0.00 179.01 178.65 2dzj h ILE 39 N 0.42 0.32 -0.26 3.13 1.08 -0.73 0.17 117.51 121.64 2dzj h ILE 39 Ca 0.12 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.62 2dzj h ILE 39 Cb 0.09 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 33.99 2dzj h ILE 39 CO -0.02 0.02 -0.15 0.11 -0.69 0.00 0.00 178.15 177.42 2dzj h LYS 40 N 0.10 -0.12 -0.15 2.37 6.56 -1.24 -2.51 116.57 121.58 2dzj h LYS 40 Ca 0.42 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 60.07 2dzj h LYS 40 Cb 0.75 0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.37 2dzj h LYS 40 CO -0.68 -0.08 -0.35 -0.91 -2.06 0.00 0.00 179.45 175.37 2dzj h ASN 41 N -0.12 -1.09 -0.94 0.86 2.35 -0.97 -0.86 115.58 114.80 2dzj h ASN 41 Ca 0.14 0.16 0.24 0.00 -0.55 0.00 0.00 56.30 56.29 2dzj h ASN 41 Cb 0.34 0.46 -0.17 0.00 0.05 0.00 0.00 38.32 38.99 2dzj h ASN 41 CO -0.34 -0.38 -0.01 -0.07 -1.65 0.00 0.00 177.43 174.99 2dzj h LEU 42 N -0.42 -0.50 -0.54 1.61 3.38 -0.99 0.75 115.31 118.60 2dzj h LEU 42 Ca 0.09 0.27 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 2dzj h LEU 42 Cb 0.57 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2dzj h LEU 42 CO -0.38 -0.31 -0.17 0.15 0.09 0.00 0.00 178.44 177.82 2dzj h PHE 43 N 0.03 1.14 -0.96 1.13 3.04 -1.08 -3.00 116.94 117.25 2dzj h PHE 43 Ca 0.55 -0.26 0.05 0.00 3.98 0.00 0.00 57.97 62.30 2dzj h PHE 43 Cb 1.07 -0.27 -0.06 0.00 2.56 0.00 0.00 35.95 39.24 2dzj h PHE 43 CO -0.52 1.08 0.62 1.15 -2.02 0.00 0.00 178.31 178.63 2dzj h THR 44 N 0.88 1.11 -0.68 4.41 2.02 0.18 -2.96 112.91 117.87 2dzj h THR 44 Ca 0.12 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 66.97 2dzj h THR 44 Cb 0.74 -0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 2dzj h THR 44 CO 0.06 0.21 -0.40 0.29 0.37 0.00 0.00 175.52 176.05 2dzj n LYS 45 N -4.47 -0.30 0.41 6.66 5.02 -0.18 -1.80 118.16 123.49 2dzj n LYS 45 Ca 0.14 1.25 -0.18 0.00 -2.02 0.00 0.00 58.31 57.50 2dzj n LYS 45 Cb 0.16 -1.84 -0.09 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.12 -3.21 -0.18 2.02 -1.69 -3.38 112.91 106.60 2dzj h THR 46 Ca 0.11 -0.15 -0.76 0.00 0.77 0.00 0.00 66.41 66.38 2dzj h THR 46 Cb 0.28 0.15 -0.25 0.00 -1.74 0.00 0.00 68.15 66.58 2dzj h THR 46 CO -0.64 0.01 -0.22 -1.00 0.37 0.00 0.00 175.52 174.04 2dzj s HIS 47 N -5.42 3.34 0.04 3.16 3.76 -0.75 -4.93 115.29 114.49 2dzj s HIS 47 Ca -0.17 -1.49 -0.20 0.00 -0.15 0.00 0.00 55.06 53.05 2dzj s HIS 47 Cb 0.02 -3.74 -0.14 0.00 1.11 0.00 0.00 32.58 29.83 2dzj s HIS 47 CO 0.54 -1.01 1.35 -1.00 -0.85 0.00 0.00 174.74 173.76 2dzj h PRO 48 N 8.67 0.36 -1.32 8.40 0.13 -1.64 -3.10 132.00 143.51 2dzj h PRO 48 Ca -0.24 -0.19 0.38 0.00 -0.87 0.00 0.00 66.00 65.08 2dzj h PRO 48 Cb 1.09 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2dzj h PRO 48 CO 0.97 0.74 0.94 0.37 -0.23 0.00 0.00 178.00 180.80 2dzj h GLN 49 N -0.00 0.03 -6.00 0.86 4.15 -1.91 -3.35 115.11 108.88 2dzj h GLN 49 Ca 0.02 -0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.84 2dzj h GLN 49 Cb 0.68 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.26 2dzj h GLN 49 CO 0.04 0.02 0.52 -1.58 -1.93 0.00 0.00 178.83 175.90 2dzj s TRP 50 N -4.99 3.05 0.44 3.99 0.52 -1.17 -5.04 118.94 115.74 2dzj s TRP 50 Ca -0.05 0.59 -0.02 0.00 0.02 0.00 0.00 56.10 56.64 2dzj s TRP 50 Cb 0.24 -3.65 -0.02 0.00 -1.15 0.00 0.00 33.47 28.89 2dzj s TRP 50 CO 0.82 -0.87 0.69 1.52 0.02 0.00 0.00 176.95 179.14 2dzj s TYR 51 N 3.42 3.43 -1.02 -1.98 1.13 -1.26 -4.66 117.35 116.41 2dzj s TYR 51 Ca 0.35 0.50 0.14 0.00 -1.41 0.00 0.00 57.07 56.66 2dzj s TYR 51 Cb -0.12 -2.21 0.61 0.00 -1.10 0.00 0.00 41.96 39.14 2dzj s TYR 51 CO 0.20 -0.22 1.45 -0.35 -2.51 0.00 0.00 175.55 174.12 2dzj n PRO 52 N -2.09 0.01 0.06 -3.49 -0.04 -1.26 -2.23 135.00 125.95 2dzj n PRO 52 Ca -0.01 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2dzj n PRO 52 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2dzj n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dzj h ALA 53 N 2.50 0.37 0.01 0.55 0.00 -2.01 -3.37 119.26 117.30 2dzj h ALA 53 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 54.91 53.68 2dzj h ALA 53 Cb 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2dzj h ALA 53 CO 0.00 1.25 -1.47 -2.13 0.00 0.00 0.00 179.25 176.90 2dzj n ARG 54 N -3.34 0.58 -1.54 0.00 0.63 -1.03 -4.79 116.66 107.18 2dzj n ARG 54 Ca -0.03 0.52 -0.24 0.00 -0.92 0.00 0.00 57.85 57.18 2dzj n ARG 54 Cb 0.96 -1.71 -0.11 0.00 0.45 0.00 0.00 32.46 32.05 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 -4.35 0.46 -3.10 -0.14 6.02 -0.95 -4.51 117.38 110.82 2dzj n GLN 55 Ca -0.35 -0.36 -0.39 0.00 -0.01 0.00 0.00 57.00 55.89 2dzj n GLN 55 Cb 0.73 -2.73 -0.05 0.00 1.02 0.00 0.00 30.24 29.21 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 8.40 7.08 -0.03 1.08 0.15 -1.24 -4.92 113.70 124.23 2dzj s SER 56 Ca 1.09 1.29 0.05 0.00 0.70 0.00 0.00 55.95 59.08 2dzj s SER 56 Cb -0.45 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.43 2dzj s SER 56 CO 0.29 0.06 -0.19 -0.76 1.20 0.00 0.00 173.24 173.84 2dzj s LEU 57 N -0.11 1.99 -0.04 3.45 1.43 -1.25 -2.42 118.68 121.73 2dzj s LEU 57 Ca 0.35 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2dzj s LEU 57 Cb -0.19 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2dzj s LEU 57 CO 0.20 0.20 0.21 -0.13 0.23 0.00 0.00 176.35 177.06 2dzj s ARG 58 N -0.22 0.42 0.41 1.70 0.52 -1.05 -1.89 118.95 118.84 2dzj s ARG 58 Ca 0.02 -0.02 0.29 0.00 -0.52 0.00 0.00 55.73 55.50 2dzj s ARG 58 Cb -0.10 0.19 1.39 0.00 0.52 0.00 0.00 34.95 36.95 2dzj s ARG 58 CO 0.01 -0.09 1.87 -0.07 0.02 0.00 0.00 175.30 177.04 2dzj h LEU 59 N 4.91 0.00 -7.16 2.53 3.38 -1.82 -1.91 115.31 115.24 2dzj h LEU 59 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2dzj h LEU 59 Cb 1.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 2dzj h LEU 59 CO 0.38 0.00 0.05 -1.81 0.09 0.00 0.00 178.44 177.15 2dzj s ASP 60 N -4.63 -0.50 0.07 -0.43 1.01 -1.26 -4.88 116.67 106.05 2dzj s ASP 60 Ca -0.00 0.43 0.16 0.00 0.71 0.00 0.00 52.55 53.85 2dzj s ASP 60 Cb 0.09 0.48 0.70 0.00 1.01 0.00 0.00 42.92 45.20 2dzj s ASP 60 CO 0.36 -0.61 1.52 -0.81 0.21 0.00 0.00 175.17 175.84 2dzj n PRO 61 N 0.85 0.05 -0.46 8.23 -0.04 -1.26 -2.45 135.00 139.92 2dzj n PRO 61 Ca -0.19 0.30 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2dzj n PRO 61 Cb 0.58 -1.60 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 2dzj n PRO 61 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2dzj n LYS 62 N -1.69 0.98 0.00 0.54 2.85 -1.26 -5.01 118.16 114.58 2dzj n LYS 62 Ca 0.03 -2.42 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 2dzj n LYS 62 Cb 0.18 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2dzj n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dzj n GLY 63 N -0.87 0.60 3.33 2.58 0.00 -1.02 -5.16 105.19 104.65 2dzj n GLY 63 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 3.12 1.76 -0.20 1.61 1.02 -1.26 -5.04 119.74 120.75 2dzj s LYS 64 Ca 0.00 -1.94 -0.29 0.00 0.02 0.00 0.00 55.97 53.76 2dzj s LYS 64 Cb 0.00 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 2dzj s LYS 64 CO 0.00 -0.67 1.10 -1.54 -0.92 0.00 0.00 175.35 173.32 2dzj s SER 65 N -3.33 7.07 0.87 2.83 1.04 -1.26 -4.45 113.70 116.46 2dzj s SER 65 Ca 0.38 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 2dzj s SER 65 Cb 0.02 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.72 2dzj s SER 65 CO 0.25 -0.67 1.15 -0.76 0.98 0.00 0.00 173.24 174.20 2dzj s LEU 66 N 3.13 2.94 0.09 2.42 1.43 -0.79 -5.04 118.68 122.86 2dzj s LEU 66 Ca 0.47 2.19 0.08 0.00 -1.03 0.00 0.00 54.13 55.84 2dzj s LEU 66 Cb -0.17 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 2dzj s LEU 66 CO 0.10 -2.87 -0.20 -0.54 0.23 0.00 0.00 176.35 173.08 2dzj s LYS 67 N -4.55 1.11 0.26 1.70 1.02 -1.26 -4.95 119.74 113.07 2dzj s LYS 67 Ca 0.68 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 2dzj s LYS 67 Cb -0.23 -1.31 0.56 0.00 -0.52 0.00 0.00 37.83 36.32 2dzj s LYS 67 CO 0.56 0.31 1.68 0.38 -0.92 0.00 0.00 175.35 177.36 2dzj h ASP 68 N 4.26 0.09 -0.85 2.83 3.04 -1.96 0.29 116.42 124.11 2dzj h ASP 68 Ca -0.45 0.15 0.25 0.00 -3.24 0.00 0.00 57.03 53.74 2dzj h ASP 68 Cb 1.18 0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 39.62 2dzj h ASP 68 CO 0.40 -0.04 1.03 1.05 -2.04 0.00 0.00 179.24 179.65 2dzj h GLU 69 N 0.30 0.00 -6.94 4.15 4.11 -1.99 -3.29 114.58 110.91 2dzj h GLU 69 Ca 0.47 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.41 2dzj h GLU 69 Cb 0.84 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.12 2dzj h GLU 69 CO -0.53 0.00 0.44 -0.51 0.07 0.00 0.00 179.01 178.48 2dzj s ASP 70 N -3.84 6.72 0.13 3.06 1.01 0.10 -4.98 116.67 118.87 2dzj s ASP 70 Ca -0.03 2.15 0.06 0.00 0.71 0.00 0.00 52.55 55.44 2dzj s ASP 70 Cb 0.14 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2dzj s ASP 70 CO 0.47 -0.52 -0.14 -0.69 0.21 0.00 0.00 175.17 174.49 2dzj s VAL 71 N -1.54 1.39 -1.09 -1.27 1.01 -1.26 -2.38 120.40 115.26 2dzj s VAL 71 Ca 0.57 -1.81 0.08 0.00 0.00 0.00 0.00 61.98 60.82 2dzj s VAL 71 Cb -0.25 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.58 2dzj s VAL 71 CO 0.32 -0.45 1.22 0.18 0.00 0.00 0.00 175.10 176.37 2dzj n LEU 72 N 0.37 0.00 -0.02 3.92 4.77 -1.13 -0.15 117.00 124.76 2dzj n LEU 72 Ca -0.14 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 2dzj n LEU 72 Cb 0.58 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2dzj n LEU 72 CO 0.28 -0.33 -0.66 0.00 -1.33 0.00 0.00 177.39 175.35 2dzj n GLN 73 N -1.46 1.29 -0.00 3.23 10.64 -0.97 -4.61 117.38 125.50 2dzj n GLN 73 Ca 0.02 -0.04 -0.08 0.00 -1.83 0.00 0.00 57.00 55.07 2dzj n GLN 73 Cb 0.09 -1.19 -0.13 0.00 -0.86 0.00 0.00 30.24 28.14 2dzj n GLN 73 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2dzj h LYS 74 N 0.00 0.00 -7.08 2.61 1.57 -1.69 -3.48 116.57 108.50 2dzj h LYS 74 Ca -0.08 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.15 2dzj h LYS 74 Cb 0.82 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.31 2dzj h LYS 74 CO 0.00 0.55 0.19 1.47 -0.57 0.00 0.00 179.45 181.09 2dzj n LEU 75 N -3.08 3.78 -0.75 2.94 -0.00 0.78 -4.81 117.00 115.87 2dzj n LEU 75 Ca -0.14 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 2dzj n LEU 75 Cb 1.02 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2dzj n LEU 75 CO 0.45 -1.95 0.18 -0.81 -0.00 0.00 0.00 177.39 175.27 2dzj n PRO 76 N -2.66 0.49 -4.62 1.47 -0.04 -1.26 -4.73 135.00 123.64 2dzj n PRO 76 Ca 0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 2dzj n PRO 76 Cb 0.50 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.23 1.95 0.00 0.52 1.01 -1.26 -5.16 120.40 117.23 2dzj s VAL 77 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2dzj s VAL 77 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2dzj s VAL 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2dzj n GLY 78 N -0.98 4.57 0.35 4.51 0.00 -1.26 -4.88 105.19 107.50 2dzj n GLY 78 Ca -0.06 -2.08 0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 0.16 0.04 -3.16 2.61 1.35 -1.94 -3.11 112.91 108.86 2dzj h THR 79 Ca 0.00 -0.01 -0.74 0.00 -0.55 0.00 0.00 66.41 65.11 2dzj h THR 79 Cb 0.00 -0.00 -0.22 0.00 -1.73 0.00 0.00 68.15 66.20 2dzj h THR 79 CO 0.00 0.01 0.35 -0.89 -0.25 0.00 0.00 175.52 174.74 2dzj s THR 80 N -5.49 5.17 0.14 6.82 2.01 -1.26 -1.74 115.64 121.29 2dzj s THR 80 Ca -0.09 -1.89 -0.08 0.00 0.31 0.00 0.00 61.69 59.93 2dzj s THR 80 Cb 0.33 -4.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 2dzj s THR 80 CO 0.79 -1.21 0.44 0.00 -0.69 0.00 0.00 174.62 173.95 2dzj s ALA 81 N 1.49 3.70 -0.07 7.40 0.00 -0.10 -5.01 121.76 129.18 2dzj s ALA 81 Ca 0.22 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2dzj s ALA 81 Cb -0.11 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.75 2dzj s ALA 81 CO -0.06 0.58 -0.11 0.99 0.00 0.00 0.00 175.76 177.16 2dzj s THR 82 N -1.60 1.10 -0.04 0.00 2.01 -1.26 -2.40 115.64 113.45 2dzj s THR 82 Ca 0.40 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2dzj s THR 82 Cb -0.13 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2dzj s THR 82 CO 0.21 0.35 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.50 2dzj s LEU 83 N 0.86 2.04 -0.12 4.42 1.43 -1.18 -4.64 118.68 121.48 2dzj s LEU 83 Ca -0.11 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 2dzj s LEU 83 Cb -0.15 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2dzj s LEU 83 CO 0.01 0.26 0.12 -0.31 0.23 0.00 0.00 176.35 176.66 2dzj s TYR 84 N -0.31 3.53 -0.04 0.29 2.02 -0.72 -0.24 117.35 121.88 2dzj s TYR 84 Ca 0.02 0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 57.06 2dzj s TYR 84 Cb -0.12 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 2dzj s TYR 84 CO 0.02 0.66 0.33 0.12 -1.57 0.00 0.00 175.55 175.10 2dzj s PHE 85 N -0.87 3.69 -0.05 2.71 2.19 0.21 -2.53 117.98 123.33 2dzj s PHE 85 Ca 0.14 0.85 0.02 0.00 0.33 0.00 0.00 56.93 58.27 2dzj s PHE 85 Cb -0.12 -2.19 0.02 0.00 -1.31 0.00 0.00 43.02 39.42 2dzj s PHE 85 CO 0.03 0.67 -0.09 0.50 1.83 0.00 0.00 175.22 178.16 2dzj s ARG 86 N -1.04 1.33 -0.15 10.12 6.06 -1.01 -1.30 118.95 132.95 2dzj s ARG 86 Ca 0.21 -0.30 -0.29 0.00 -2.50 0.00 0.00 55.73 52.85 2dzj s ARG 86 Cb -0.15 -1.16 -0.01 0.00 0.06 0.00 0.00 34.95 33.69 2dzj s ARG 86 CO 0.11 0.00 1.06 0.16 -2.50 0.00 0.00 175.30 174.13 2dzj s ASP 87 N 0.69 7.15 0.00 -2.12 1.47 -1.26 -3.64 116.67 118.96 2dzj s ASP 87 Ca -0.12 1.52 0.30 0.00 1.18 0.00 0.00 52.55 55.42 2dzj s ASP 87 Cb -0.15 -2.55 1.47 0.00 -0.34 0.00 0.00 42.92 41.36 2dzj s ASP 87 CO 0.02 -0.57 1.98 0.18 0.68 0.00 0.00 175.17 177.47