#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 0.03 -4.17 1.61 3.41 -1.26 -2.66 113.62 110.58 2dzj n SER 2 Ca 0.00 1.56 -0.40 0.00 -0.26 0.00 0.00 58.87 59.77 2dzj n SER 2 Cb 0.00 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 2dzj n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dzj s SER 3 N -4.87 5.76 0.00 4.04 0.15 -1.26 -4.98 113.70 112.55 2dzj s SER 3 Ca -0.11 -2.87 0.00 0.00 0.70 0.00 0.00 55.95 53.68 2dzj s SER 3 Cb 0.29 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2dzj s SER 3 CO 0.72 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2dzj n GLY 4 N 3.56 1.33 3.72 9.45 0.00 -1.09 -5.10 105.19 117.06 2dzj n GLY 4 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2dzj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dzj s SER 5 N 0.36 6.01 -0.10 1.61 1.04 -1.26 -5.08 113.70 116.29 2dzj s SER 5 Ca 0.00 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 2dzj s SER 5 Cb 0.00 -2.03 0.11 0.00 0.10 0.00 0.00 66.02 64.20 2dzj s SER 5 CO 0.00 0.21 0.89 -0.55 0.98 0.00 0.00 173.24 174.78 2dzj s SER 6 N 0.14 -0.44 -0.39 7.02 0.15 -1.26 -5.14 113.70 113.78 2dzj s SER 6 Ca 0.07 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2dzj s SER 6 Cb -0.12 0.38 0.18 0.00 -1.71 0.00 0.00 66.02 64.76 2dzj s SER 6 CO -0.00 -0.47 0.74 -0.83 1.20 0.00 0.00 173.24 173.87 2dzj s GLY 7 N -1.40 -1.34 -0.05 9.45 0.00 -1.26 -5.15 107.32 107.57 2dzj s GLY 7 Ca -0.03 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.23 2dzj s GLY 7 CO 0.01 3.83 -0.19 -3.16 0.00 0.00 0.00 173.10 173.60 2dzj s MET 8 N 1.88 2.48 -0.62 2.90 0.00 -1.26 -5.08 119.30 119.60 2dzj s MET 8 Ca 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 55.69 55.10 2dzj s MET 8 Cb -0.02 -2.28 0.15 0.00 0.00 0.00 0.00 34.83 32.68 2dzj s MET 8 CO -0.09 0.54 0.39 0.21 0.00 0.00 0.00 175.02 176.08 2dzj s LYS 9 N -0.54 2.29 0.37 3.16 2.47 -1.26 -5.07 119.74 121.16 2dzj s LYS 9 Ca 0.07 -2.90 0.00 0.00 -1.56 0.00 0.00 55.97 51.59 2dzj s LYS 9 Cb -0.11 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 2dzj s LYS 9 CO 0.01 -1.19 0.02 0.72 0.16 0.00 0.00 175.35 175.07 2dzj n HIS 10 N 2.72 0.74 -3.83 4.03 8.25 -1.26 -5.05 115.22 120.82 2dzj n HIS 10 Ca 0.11 -1.80 -0.37 0.00 -0.26 0.00 0.00 57.72 55.40 2dzj n HIS 10 Cb 0.34 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 2dzj n HIS 10 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dzj s TYR 11 N -2.30 3.56 -0.41 4.41 1.51 -0.04 -4.91 117.35 119.17 2dzj s TYR 11 Ca 0.01 0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 56.43 2dzj s TYR 11 Cb -0.00 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 2dzj s TYR 11 CO 0.01 0.63 0.29 -1.21 -1.11 0.00 0.00 175.55 174.16 2dzj s GLU 12 N -0.70 2.95 -0.19 -0.62 2.02 -1.10 -3.00 118.70 118.07 2dzj s GLU 12 Ca 0.14 -1.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.09 2dzj s GLU 12 Cb -0.12 -3.95 0.01 0.00 0.10 0.00 0.00 34.13 30.17 2dzj s GLU 12 CO 0.03 -0.75 -0.15 0.08 0.02 0.00 0.00 175.26 174.50 2dzj s VAL 13 N 1.66 2.56 -0.43 2.63 1.01 -0.48 -1.65 120.40 125.71 2dzj s VAL 13 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2dzj s VAL 13 Cb -0.19 -2.11 0.11 0.00 0.00 0.00 0.00 36.38 34.20 2dzj s VAL 13 CO 0.10 0.50 0.26 -1.83 0.00 0.00 0.00 175.10 174.13 2dzj s GLU 14 N 1.23 2.19 -0.67 2.72 -1.05 -1.02 -1.16 118.70 120.94 2dzj s GLU 14 Ca 0.03 -1.80 -0.27 0.00 -0.15 0.00 0.00 54.97 52.78 2dzj s GLU 14 Cb -0.14 -3.72 0.01 0.00 -0.44 0.00 0.00 34.13 29.84 2dzj s GLU 14 CO -0.07 -1.12 1.44 0.42 0.95 0.00 0.00 175.26 176.88 2dzj s ILE 15 N 1.23 3.65 0.43 1.83 1.01 -0.60 -3.21 121.20 125.53 2dzj s ILE 15 Ca 0.07 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.22 2dzj s ILE 15 Cb -0.24 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.65 2dzj s ILE 15 CO -0.03 -1.50 0.58 -0.76 0.00 0.00 0.00 174.94 173.23 2dzj s LEU 16 N 6.59 3.63 0.43 2.97 1.43 0.70 -2.43 118.68 132.00 2dzj s LEU 16 Ca 0.46 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2dzj s LEU 16 Cb -0.10 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2dzj s LEU 16 CO 0.18 -0.79 0.77 -0.62 0.23 0.00 0.00 176.35 176.13 2dzj s ASP 17 N -4.36 6.41 0.00 2.29 2.15 -1.24 0.85 116.67 122.77 2dzj s ASP 17 Ca 0.55 1.04 0.28 0.00 0.43 0.00 0.00 52.55 54.85 2dzj s ASP 17 Cb -0.10 -2.29 1.00 0.00 -0.30 0.00 0.00 42.92 41.24 2dzj s ASP 17 CO 0.33 -0.47 1.72 0.00 -0.17 0.00 0.00 175.17 176.58 2dzj n ALA 18 N -1.69 2.69 -0.00 3.66 0.00 -0.60 -2.79 120.51 121.78 2dzj n ALA 18 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2dzj n ALA 18 Cb 0.54 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.04 0.00 0.00 0.00 0.00 -1.26 -4.80 118.16 112.06 2dzj n LYS 19 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.62 2dzj n LYS 19 Cb 0.35 -0.06 0.47 0.00 0.00 0.00 0.00 35.03 35.78 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 -2.50 0.00 -4.21 3.15 -2.24 -1.26 -4.94 114.28 102.27 2dzj n THR 20 Ca 0.00 -0.09 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2dzj n THR 20 Cb 0.00 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.83 -1.70 -3.78 -0.78 1.74 -1.12 -4.88 116.66 105.31 2dzj n ARG 21 Ca 0.13 0.19 -0.35 0.00 -0.77 0.00 0.00 57.85 57.05 2dzj n ARG 21 Cb 0.32 -3.93 -0.08 0.00 -1.02 0.00 0.00 32.46 27.75 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 -7.12 4.08 -0.51 5.56 2.02 -1.26 -4.57 118.70 116.90 2dzj s GLU 22 Ca 0.04 -0.22 -0.32 0.00 0.02 0.00 0.00 54.97 54.48 2dzj s GLU 22 Cb -0.02 -3.37 -0.12 0.00 0.10 0.00 0.00 34.13 30.72 2dzj s GLU 22 CO 0.97 0.36 2.34 1.17 0.02 0.00 0.00 175.26 180.12 2dzj n LYS 23 N 3.33 0.86 -0.04 1.61 3.00 -1.26 -3.62 118.16 122.04 2dzj n LYS 23 Ca -0.17 0.16 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 2dzj n LYS 23 Cb 0.52 -2.51 -0.14 0.00 0.00 0.00 0.00 35.03 32.90 2dzj n LYS 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dzj n LEU 24 N 11.46 1.72 -3.62 3.14 4.77 -1.02 -4.99 117.00 128.46 2dzj n LEU 24 Ca 0.45 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.46 2dzj n LEU 24 Cb 0.27 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2dzj n LEU 24 CO 0.78 0.67 0.33 0.00 -1.33 0.00 0.00 177.39 177.84 2dzj s PHE 26 N -0.43 1.55 -0.59 0.00 5.36 -1.26 -1.55 117.98 121.05 2dzj s PHE 26 Ca -0.06 -1.41 -0.14 0.00 -0.96 0.00 0.00 56.93 54.36 2dzj s PHE 26 Cb -0.03 -1.44 0.15 0.00 -0.34 0.00 0.00 43.02 41.36 2dzj s PHE 26 CO 0.05 -0.76 0.53 -0.51 -1.46 0.00 0.00 175.22 173.06 2dzj s LEU 27 N 1.68 6.20 -0.03 6.12 1.43 -0.31 -4.88 118.68 128.89 2dzj s LEU 27 Ca 0.04 -2.04 0.15 0.00 -1.03 0.00 0.00 54.13 51.24 2dzj s LEU 27 Cb -0.17 -2.16 0.48 0.00 0.03 0.00 0.00 46.19 44.36 2dzj s LEU 27 CO -0.16 -0.75 1.38 -0.90 0.23 0.00 0.00 176.35 176.15 2dzj n ASP 28 N 4.85 3.02 -2.52 2.29 5.68 -1.26 -1.38 116.55 127.24 2dzj n ASP 28 Ca -0.06 -2.10 -0.17 0.00 -0.50 0.00 0.00 54.79 51.95 2dzj n ASP 28 Cb 0.42 -0.39 0.02 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.93 2.48 -4.16 0.11 5.02 -1.23 -4.31 118.16 117.00 2dzj n LYS 29 Ca 0.18 -3.92 -0.33 0.00 -2.02 0.00 0.00 58.31 52.22 2dzj n LYS 29 Cb 0.51 -1.84 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 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 -4.38 4.56 0.38 -0.18 1.01 -1.16 -4.89 120.40 115.74 2dzj s VAL 30 Ca 0.39 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 2dzj s VAL 30 Cb 0.41 -3.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 2dzj s VAL 30 CO -0.06 0.36 0.82 -1.61 0.00 0.00 0.00 175.10 174.62 2dzj s GLU 31 N -1.66 4.03 0.06 2.72 0.41 -1.26 -0.86 118.70 122.14 2dzj s GLU 31 Ca 0.22 0.80 -0.18 0.00 -0.41 0.00 0.00 54.97 55.39 2dzj s GLU 31 Cb -0.12 -2.33 -0.12 0.00 -1.78 0.00 0.00 34.13 29.78 2dzj s GLU 31 CO 0.12 0.04 1.37 -1.00 -0.49 0.00 0.00 175.26 175.31 2dzj h PRO 32 N 1.90 0.49 0.00 0.39 0.13 -1.96 -2.90 132.00 130.05 2dzj h PRO 32 Ca -0.48 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2dzj h PRO 32 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dzj h PRO 32 CO 0.64 0.84 0.00 -2.39 -0.23 0.00 0.00 178.00 176.85 2dzj n HIS 33 N -4.44 0.00 -1.79 1.56 1.44 -1.26 -2.19 115.22 108.53 2dzj n HIS 33 Ca -0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 2dzj n HIS 33 Cb 0.40 -0.46 -0.03 0.00 0.12 0.00 0.00 29.99 30.02 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 -2.92 3.86 0.38 1.59 0.00 -1.10 -4.83 121.76 118.74 2dzj s ALA 34 Ca 0.08 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 2dzj s ALA 34 Cb 0.10 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2dzj s ALA 34 CO 0.26 -0.94 0.62 0.95 0.00 0.00 0.00 175.76 176.65 2dzj s THR 35 N 1.47 5.05 0.31 0.00 -4.23 -1.26 -2.59 115.64 114.39 2dzj s THR 35 Ca 0.74 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 61.09 2dzj s THR 35 Cb -0.47 -3.86 0.31 0.00 1.34 0.00 0.00 72.50 69.83 2dzj s THR 35 CO 0.32 -0.63 1.67 0.40 -0.54 0.00 0.00 174.62 175.85 2dzj h ILE 36 N 0.63 0.37 -0.59 2.99 1.08 -1.50 0.11 117.51 120.61 2dzj h ILE 36 Ca -0.49 -0.12 0.12 0.00 -0.39 0.00 0.00 64.86 63.98 2dzj h ILE 36 Cb 1.21 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.86 2dzj h ILE 36 CO 0.62 0.06 -0.05 0.00 -0.69 0.00 0.00 178.15 178.09 2dzj h ALA 37 N 1.78 0.51 0.23 1.87 0.00 -1.86 -2.01 119.26 119.78 2dzj h ALA 37 Ca 0.63 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.73 2dzj h ALA 37 Cb 1.31 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2dzj h ALA 37 CO -0.59 -0.41 -0.11 0.93 0.00 0.00 0.00 179.25 179.07 2dzj h GLU 38 N 0.07 -0.30 -0.92 0.00 4.39 -1.17 -3.01 114.58 113.65 2dzj h GLU 38 Ca 0.30 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.27 2dzj h GLU 38 Cb 0.47 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.02 2dzj h GLU 38 CO -0.54 -0.09 0.02 -0.89 -1.16 0.00 0.00 179.01 176.36 2dzj n ILE 39 N -5.16 -0.39 0.08 3.13 2.08 -0.79 0.42 119.36 118.74 2dzj n ILE 39 Ca -0.09 2.02 -0.12 0.00 0.56 0.00 0.00 62.75 65.12 2dzj n ILE 39 Cb 0.19 -2.95 -0.05 0.00 -0.75 0.00 0.00 39.64 36.08 2dzj n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2dzj h LYS 40 N 0.00 -0.36 -0.76 0.38 6.56 -1.33 -2.31 116.57 118.75 2dzj h LYS 40 Ca 0.56 0.02 0.17 0.00 -1.06 0.00 0.00 60.65 60.35 2dzj h LYS 40 Cb 1.15 0.08 -0.13 0.00 -0.57 0.00 0.00 32.23 32.77 2dzj h LYS 40 CO -0.86 -0.24 0.07 -0.91 -2.06 0.00 0.00 179.45 175.45 2dzj h ASN 41 N -0.37 -0.22 0.15 0.86 2.35 -0.05 -1.39 115.58 116.91 2dzj h ASN 41 Ca 0.05 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2dzj h ASN 41 Cb 0.43 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2dzj h ASN 41 CO -0.17 -0.14 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.09 2dzj h LEU 42 N 0.15 -0.91 -1.51 1.61 3.38 -1.01 0.06 115.31 117.08 2dzj h LEU 42 Ca 0.42 0.09 0.30 0.00 0.09 0.00 0.00 57.88 58.78 2dzj h LEU 42 Cb 0.76 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 2dzj h LEU 42 CO -0.62 -0.36 0.72 0.15 0.09 0.00 0.00 178.44 178.43 2dzj h PHE 43 N -0.50 0.50 -0.25 1.13 3.04 -1.13 0.15 116.94 119.86 2dzj h PHE 43 Ca -0.02 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2dzj h PHE 43 Cb 0.48 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 2dzj h PHE 43 CO -0.32 0.02 -0.03 1.15 -2.02 0.00 0.00 178.31 177.11 2dzj h THR 44 N 0.28 1.27 -0.56 4.41 2.02 -0.19 -2.95 112.91 117.19 2dzj h THR 44 Ca 0.61 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.84 2dzj h THR 44 Cb 1.77 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.52 2dzj h THR 44 CO -0.24 0.31 -0.33 0.29 0.37 0.00 0.00 175.52 175.92 2dzj n LYS 45 N -4.58 -0.25 0.48 6.66 5.02 0.51 -1.63 118.16 124.37 2dzj n LYS 45 Ca -0.04 1.13 -0.20 0.00 -2.02 0.00 0.00 58.31 57.19 2dzj n LYS 45 Cb 0.27 -1.67 -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 -3.28 -0.18 2.02 -1.62 -3.38 112.91 106.48 2dzj h THR 46 Ca 0.09 0.00 -0.74 0.00 0.77 0.00 0.00 66.41 66.53 2dzj h THR 46 Cb 0.23 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 66.38 2dzj h THR 46 CO -0.53 0.00 -0.35 -1.00 0.37 0.00 0.00 175.52 174.02 2dzj s HIS 47 N -5.82 3.31 0.06 3.16 3.76 -0.65 -4.94 115.29 114.18 2dzj s HIS 47 Ca -0.19 -1.41 -0.18 0.00 -0.15 0.00 0.00 55.06 53.13 2dzj s HIS 47 Cb 0.02 -3.38 -0.12 0.00 1.11 0.00 0.00 32.58 30.21 2dzj s HIS 47 CO 0.57 -0.92 1.37 -1.00 -0.85 0.00 0.00 174.74 173.91 2dzj h PRO 48 N 8.63 0.48 -1.04 8.40 0.13 -1.65 -3.16 132.00 143.80 2dzj h PRO 48 Ca -0.26 -0.25 0.27 0.00 -0.87 0.00 0.00 66.00 64.89 2dzj h PRO 48 Cb 1.09 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 2dzj h PRO 48 CO 0.89 0.83 0.65 1.96 -0.23 0.00 0.00 178.00 182.10 2dzj h GLN 49 N 0.15 0.42 -6.44 0.86 4.20 -1.92 -3.34 115.11 109.04 2dzj h GLN 49 Ca 0.03 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2dzj h GLN 49 Cb 0.74 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 2dzj h GLN 49 CO 0.05 0.28 1.05 -1.58 -0.67 0.00 0.00 178.83 177.96 2dzj s TRP 50 N -5.58 2.38 0.53 2.96 0.52 -1.19 -5.01 118.94 113.56 2dzj s TRP 50 Ca -0.09 0.28 -0.07 0.00 0.02 0.00 0.00 56.10 56.24 2dzj s TRP 50 Cb 0.26 -4.51 -0.03 0.00 -1.15 0.00 0.00 33.47 28.04 2dzj s TRP 50 CO 0.80 -1.88 0.86 1.52 0.02 0.00 0.00 176.95 178.27 2dzj s TYR 51 N 5.65 3.52 0.25 -1.98 1.13 -1.26 -4.60 117.35 120.07 2dzj s TYR 51 Ca 0.43 0.89 0.20 0.00 -1.41 0.00 0.00 57.07 57.19 2dzj s TYR 51 Cb -0.09 -2.48 0.87 0.00 -1.10 0.00 0.00 41.96 39.17 2dzj s TYR 51 CO 0.22 -0.48 1.83 -1.00 -2.51 0.00 0.00 175.55 173.61 2dzj h PRO 52 N 0.02 0.00 -0.00 -3.49 0.13 -1.91 -2.32 132.00 124.43 2dzj h PRO 52 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2dzj h PRO 52 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dzj h PRO 52 CO 0.62 0.31 -0.16 0.00 -0.23 0.00 0.00 178.00 178.53 2dzj h ALA 53 N 1.69 1.73 0.00 -0.56 0.00 -2.01 -3.29 119.26 116.82 2dzj h ALA 53 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dzj h ALA 53 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dzj h ALA 53 CO 0.04 0.20 -0.67 -2.13 0.00 0.00 0.00 179.25 176.69 2dzj n ARG 54 N -4.35 0.48 -1.54 0.00 0.63 -1.10 -4.89 116.66 105.89 2dzj n ARG 54 Ca -0.03 0.45 -0.58 0.00 -0.92 0.00 0.00 57.85 56.77 2dzj n ARG 54 Cb 0.23 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.42 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 -4.57 0.63 -4.61 -0.14 6.02 -0.89 -4.48 117.38 109.33 2dzj n GLN 55 Ca -0.10 0.21 -0.34 0.00 -0.01 0.00 0.00 57.00 56.76 2dzj n GLN 55 Cb 0.34 -1.92 -0.11 0.00 1.02 0.00 0.00 30.24 29.57 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 4.97 4.65 -0.02 1.08 0.15 -1.25 -4.87 113.70 118.41 2dzj s SER 56 Ca 1.08 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 57.76 2dzj s SER 56 Cb -1.21 -1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2dzj s SER 56 CO 0.65 0.36 -0.20 -0.76 1.20 0.00 0.00 173.24 174.48 2dzj s LEU 57 N -0.86 2.02 -0.07 3.45 1.43 -1.25 -2.77 118.68 120.62 2dzj s LEU 57 Ca 0.13 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2dzj s LEU 57 Cb -0.11 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.07 2dzj s LEU 57 CO 0.02 0.23 0.17 -0.13 0.23 0.00 0.00 176.35 176.88 2dzj s ARG 58 N -0.37 0.18 0.63 1.70 0.52 -0.85 -2.13 118.95 118.62 2dzj s ARG 58 Ca 0.05 0.29 0.36 0.00 -0.52 0.00 0.00 55.73 55.91 2dzj s ARG 58 Cb -0.09 0.02 2.06 0.00 0.52 0.00 0.00 34.95 37.46 2dzj s ARG 58 CO 0.00 -0.06 2.28 -0.07 0.02 0.00 0.00 175.30 177.47 2dzj h LEU 59 N 6.27 0.00 -7.43 2.53 3.38 -1.83 -1.47 115.31 116.76 2dzj h LEU 59 Ca -0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2dzj h LEU 59 Cb 1.18 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.76 2dzj h LEU 59 CO 0.40 0.00 -0.16 -1.81 0.09 0.00 0.00 178.44 176.97 2dzj s ASP 60 N -5.64 -0.24 0.18 -0.43 1.01 -1.26 -4.82 116.67 105.46 2dzj s ASP 60 Ca -0.05 -0.00 0.21 0.00 0.71 0.00 0.00 52.55 53.41 2dzj s ASP 60 Cb 0.14 0.39 0.86 0.00 1.01 0.00 0.00 42.92 45.32 2dzj s ASP 60 CO 0.48 -0.61 1.63 -0.81 0.21 0.00 0.00 175.17 176.06 2dzj n PRO 61 N 0.67 0.13 -1.27 8.23 -0.04 -1.26 -2.68 135.00 138.78 2dzj n PRO 61 Ca -0.19 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2dzj n PRO 61 Cb 0.59 -1.75 0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.00 1.61 0.00 0.54 2.85 -1.26 -5.01 118.16 114.89 2dzj n LYS 62 Ca 0.02 -3.18 0.00 0.00 -1.05 0.00 0.00 58.31 54.10 2dzj n LYS 62 Cb 0.21 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.62 1.55 3.36 2.58 0.00 -1.09 -5.17 105.19 105.78 2dzj n GLY 63 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 3.49 1.86 -0.02 1.61 -2.85 -1.26 -5.04 119.74 117.52 2dzj s LYS 64 Ca 0.00 -2.11 -0.25 0.00 -1.00 0.00 0.00 55.97 52.62 2dzj s LYS 64 Cb 0.00 0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 2dzj s LYS 64 CO 0.00 -0.63 0.76 -1.54 0.10 0.00 0.00 175.35 174.03 2dzj s SER 65 N -3.46 7.11 0.79 0.03 1.04 -1.26 -4.30 113.70 113.65 2dzj s SER 65 Ca 0.35 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 58.01 2dzj s SER 65 Cb 0.02 -2.45 0.07 0.00 0.10 0.00 0.00 66.02 63.75 2dzj s SER 65 CO 0.25 -0.10 1.09 -0.76 0.98 0.00 0.00 173.24 174.70 2dzj s LEU 66 N 0.57 2.75 0.18 2.42 1.43 -0.90 -5.03 118.68 120.08 2dzj s LEU 66 Ca 0.40 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 2dzj s LEU 66 Cb -0.19 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 2dzj s LEU 66 CO 0.21 -2.02 -0.10 -0.54 0.23 0.00 0.00 176.35 174.13 2dzj s LYS 67 N -5.02 1.19 0.24 1.70 1.02 -1.26 -4.94 119.74 112.67 2dzj s LYS 67 Ca 0.61 -1.53 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 2dzj s LYS 67 Cb -0.16 -0.79 0.41 0.00 -0.52 0.00 0.00 37.83 36.77 2dzj s LYS 67 CO 0.55 0.09 1.66 -0.44 -0.92 0.00 0.00 175.35 176.29 2dzj h ASP 68 N 2.66 -0.18 -1.19 2.83 3.32 -1.96 0.11 116.42 122.01 2dzj h ASP 68 Ca -0.37 0.16 0.42 0.00 0.02 0.00 0.00 57.03 57.26 2dzj h ASP 68 Cb 1.21 0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.87 2dzj h ASP 68 CO 0.63 -0.11 0.72 1.05 -1.72 0.00 0.00 179.24 179.82 2dzj h GLU 69 N 0.17 0.07 -6.97 3.56 4.11 -1.98 -3.27 114.58 110.26 2dzj h GLU 69 Ca 0.39 -0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.28 2dzj h GLU 69 Cb 0.67 -0.02 0.10 0.00 0.50 0.00 0.00 28.75 30.00 2dzj h GLU 69 CO -0.56 0.05 0.65 -0.51 0.07 0.00 0.00 179.01 178.70 2dzj s ASP 70 N -4.51 6.06 0.11 3.06 1.01 0.38 -4.93 116.67 117.85 2dzj s ASP 70 Ca -0.08 2.76 0.04 0.00 0.71 0.00 0.00 52.55 55.98 2dzj s ASP 70 Cb 0.32 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2dzj s ASP 70 CO 0.80 -1.03 -0.11 -0.69 0.21 0.00 0.00 175.17 174.35 2dzj s VAL 71 N -1.25 1.07 -0.47 -1.27 1.01 -1.26 -2.23 120.40 116.00 2dzj s VAL 71 Ca 0.60 -1.73 0.21 0.00 0.00 0.00 0.00 61.98 61.05 2dzj s VAL 71 Cb -0.40 -1.48 0.21 0.00 0.00 0.00 0.00 36.38 34.70 2dzj s VAL 71 CO 0.51 -0.56 1.62 0.18 0.00 0.00 0.00 175.10 176.86 2dzj n LEU 72 N 0.42 0.53 -0.00 3.92 4.77 -1.07 0.18 117.00 125.75 2dzj n LEU 72 Ca -0.15 0.67 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 2dzj n LEU 72 Cb 0.58 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2dzj n LEU 72 CO 0.28 -0.66 -0.28 0.00 -1.33 0.00 0.00 177.39 175.40 2dzj n GLN 73 N -2.13 2.20 -0.08 3.23 10.64 -0.93 -4.55 117.38 125.76 2dzj n GLN 73 Ca 0.01 -0.04 -0.06 0.00 -1.83 0.00 0.00 57.00 55.08 2dzj n GLN 73 Cb 0.14 -1.10 -0.16 0.00 -0.86 0.00 0.00 30.24 28.26 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 -1.14 2.61 4.76 -0.76 -4.98 118.16 117.82 2dzj n LYS 74 Ca 0.00 -0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.09 2dzj n LYS 74 Cb 0.21 -1.55 0.12 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.69 4.25 -0.76 -0.35 -0.00 0.13 -4.81 117.00 112.76 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 1.05 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 2dzj n LEU 75 CO 0.44 -1.76 0.19 -0.81 -0.00 0.00 0.00 177.39 175.44 2dzj n PRO 76 N -3.05 0.49 -4.61 1.47 -0.04 -1.26 -4.73 135.00 123.26 2dzj n PRO 76 Ca 0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 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 -0.20 2.01 0.00 0.52 1.01 -1.26 -5.16 120.40 117.32 2dzj s VAL 77 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.96 2dzj s VAL 77 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2dzj s VAL 77 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2dzj n GLY 78 N -0.95 4.02 0.27 4.51 0.00 -1.26 -4.90 105.19 106.88 2dzj n GLY 78 Ca -0.05 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.23 -0.33 -2.97 2.61 -2.24 -1.26 -3.17 114.28 106.69 2dzj n THR 79 Ca 0.00 1.75 -0.44 0.00 -2.27 0.00 0.00 64.05 63.09 2dzj n THR 79 Cb 0.00 -2.55 -0.04 0.00 -2.10 0.00 0.00 70.33 65.64 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 -5.73 4.60 -0.08 4.28 2.01 -1.26 -2.70 115.64 116.76 2dzj s THR 80 Ca -0.10 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 2dzj s THR 80 Cb 0.23 -4.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2dzj s THR 80 CO 0.62 -1.35 0.22 0.00 -0.69 0.00 0.00 174.62 173.43 2dzj s ALA 81 N 3.24 3.82 -0.14 7.40 0.00 -0.66 -5.01 121.76 130.41 2dzj s ALA 81 Ca 0.20 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2dzj s ALA 81 Cb -0.17 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.86 2dzj s ALA 81 CO 0.05 0.58 -0.20 0.99 0.00 0.00 0.00 175.76 177.17 2dzj s THR 82 N -1.04 2.22 -0.06 0.00 2.01 -1.26 -2.45 115.64 115.06 2dzj s THR 82 Ca 0.18 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2dzj s THR 82 Cb -0.13 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2dzj s THR 82 CO 0.07 0.54 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.55 2dzj s LEU 83 N 0.77 2.04 -0.05 4.42 1.43 -1.20 -4.66 118.68 121.44 2dzj s LEU 83 Ca -0.08 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 2dzj s LEU 83 Cb -0.16 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2dzj s LEU 83 CO -0.00 0.21 0.22 -0.31 0.23 0.00 0.00 176.35 176.70 2dzj s TYR 84 N -0.04 3.60 -0.07 0.29 2.02 -0.55 -0.22 117.35 122.39 2dzj s TYR 84 Ca -0.06 0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 57.15 2dzj s TYR 84 Cb -0.14 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 2dzj s TYR 84 CO 0.04 0.68 0.18 0.12 -1.57 0.00 0.00 175.55 175.00 2dzj s PHE 85 N -1.16 3.59 -0.07 2.71 2.19 0.25 -2.01 117.98 123.47 2dzj s PHE 85 Ca 0.22 0.51 0.01 0.00 0.33 0.00 0.00 56.93 57.99 2dzj s PHE 85 Cb -0.13 -1.93 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 2dzj s PHE 85 CO 0.11 0.69 -0.06 0.50 1.83 0.00 0.00 175.22 178.29 2dzj s ARG 86 N -1.39 1.11 -0.07 10.12 6.06 -1.11 -1.55 118.95 132.11 2dzj s ARG 86 Ca 0.21 -0.16 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 2dzj s ARG 86 Cb -0.13 -1.13 -0.04 0.00 0.06 0.00 0.00 34.95 33.71 2dzj s ARG 86 CO 0.10 -0.14 1.44 -0.51 -2.50 0.00 0.00 175.30 173.69 2dzj s ASP 87 N 1.21 6.83 0.00 -2.12 1.01 -1.26 -3.82 116.67 118.52 2dzj s ASP 87 Ca -0.06 2.02 0.06 0.00 0.71 0.00 0.00 52.55 55.28 2dzj s ASP 87 Cb -0.14 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.30 2dzj s ASP 87 CO -0.02 -0.80 0.71 0.18 0.21 0.00 0.00 175.17 175.45