#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 1.85 -4.73 1.61 2.88 -1.26 -5.02 113.62 108.94 2dzj n SER 2 Ca 0.00 0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 2dzj n SER 2 Cb 0.00 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 2dzj n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dzj s SER 3 N -4.88 6.43 -0.45 -3.46 0.01 -1.26 -4.96 113.70 105.14 2dzj s SER 3 Ca -0.05 2.84 0.07 0.00 1.31 0.00 0.00 55.95 60.12 2dzj s SER 3 Cb 0.02 -2.61 0.23 0.00 0.21 0.00 0.00 66.02 63.86 2dzj s SER 3 CO 0.07 -0.91 0.66 0.61 0.41 0.00 0.00 173.24 174.08 2dzj n GLY 4 N 3.15 1.27 3.64 3.44 0.00 -1.26 -5.11 105.19 110.32 2dzj n GLY 4 Ca 0.12 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.93 6.54 0.19 1.61 0.01 -1.26 -4.98 113.70 114.88 2dzj s SER 5 Ca 0.33 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 59.31 2dzj s SER 5 Cb 0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2dzj s SER 5 CO -0.17 -1.10 0.12 -0.94 0.41 0.00 0.00 173.24 171.56 2dzj s SER 6 N 3.62 0.18 0.00 2.44 1.04 -1.26 -5.12 113.70 114.59 2dzj s SER 6 Ca 0.68 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2dzj s SER 6 Cb -0.26 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dzj s SER 6 CO 0.27 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2dzj n GLY 7 N -0.24 -0.26 3.25 7.32 0.00 -1.26 -5.10 105.19 108.90 2dzj n GLY 7 Ca 0.01 0.53 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 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 1.36 2.57 -0.49 1.61 1.00 -1.26 -5.01 119.30 119.08 2dzj s MET 8 Ca 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 55.69 54.19 2dzj s MET 8 Cb 0.00 -3.81 0.15 0.00 0.00 0.00 0.00 34.83 31.16 2dzj s MET 8 CO 0.00 -1.01 0.30 0.21 0.00 0.00 0.00 175.02 174.52 2dzj s LYS 9 N 1.41 1.49 0.53 2.03 2.20 -1.26 -5.12 119.74 121.02 2dzj s LYS 9 Ca 0.04 -2.30 -0.09 0.00 -0.36 0.00 0.00 55.97 53.25 2dzj s LYS 9 Cb -0.24 -2.46 0.13 0.00 -1.51 0.00 0.00 37.83 33.75 2dzj s LYS 9 CO 0.01 -1.21 0.56 1.58 -0.36 0.00 0.00 175.35 175.93 2dzj n HIS 10 N 3.13 -3.65 -1.73 4.03 -0.00 -1.24 -4.94 115.22 110.82 2dzj n HIS 10 Ca 0.14 -0.50 -0.42 0.00 0.46 0.00 0.00 57.72 57.39 2dzj n HIS 10 Cb 0.36 -0.52 -0.03 0.00 -0.12 0.00 0.00 29.99 29.69 2dzj n HIS 10 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2dzj n TYR 11 N -3.32 2.79 -3.34 1.57 4.02 -1.22 -4.82 117.16 112.85 2dzj n TYR 11 Ca 0.07 0.08 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 2dzj n TYR 11 Cb 0.28 -2.66 -0.09 0.00 -0.02 0.00 0.00 39.34 36.85 2dzj n TYR 11 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2dzj s GLU 12 N 0.81 3.07 -0.27 -0.72 8.01 -0.39 -3.07 118.70 126.15 2dzj s GLU 12 Ca 0.73 -0.80 0.00 0.00 0.01 0.00 0.00 54.97 54.91 2dzj s GLU 12 Cb -0.50 -3.97 0.05 0.00 -4.31 0.00 0.00 34.13 25.40 2dzj s GLU 12 CO 0.36 -0.84 -0.07 0.08 0.01 0.00 0.00 175.26 174.79 2dzj s VAL 13 N 2.07 2.55 -0.32 2.63 1.01 -0.36 0.13 120.40 128.11 2dzj s VAL 13 Ca 0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 2dzj s VAL 13 Cb -0.17 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2dzj s VAL 13 CO 0.13 0.03 0.06 -1.83 0.00 0.00 0.00 175.10 173.48 2dzj s GLU 14 N 1.20 2.50 -0.77 2.72 -1.05 -0.98 -1.08 118.70 121.24 2dzj s GLU 14 Ca -0.05 -1.25 -0.25 0.00 -0.15 0.00 0.00 54.97 53.27 2dzj s GLU 14 Cb -0.19 -3.33 0.05 0.00 -0.44 0.00 0.00 34.13 30.22 2dzj s GLU 14 CO -0.04 -0.66 1.21 0.42 0.95 0.00 0.00 175.26 177.14 2dzj s ILE 15 N 1.32 3.97 0.49 1.83 1.01 -0.47 -2.77 121.20 126.57 2dzj s ILE 15 Ca -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2dzj s ILE 15 Cb -0.20 -4.87 0.01 0.00 0.01 0.00 0.00 42.46 37.42 2dzj s ILE 15 CO 0.01 -1.74 0.70 -0.76 0.00 0.00 0.00 174.94 173.14 2dzj s LEU 16 N 5.01 3.50 0.40 2.97 1.43 0.08 -2.27 118.68 129.79 2dzj s LEU 16 Ca 0.33 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.35 2dzj s LEU 16 Cb -0.09 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 2dzj s LEU 16 CO 0.09 -0.89 0.81 -0.62 0.23 0.00 0.00 176.35 175.97 2dzj s ASP 17 N -4.32 6.64 0.00 2.29 2.15 -1.19 0.33 116.67 122.56 2dzj s ASP 17 Ca 0.53 1.29 0.18 0.00 0.43 0.00 0.00 52.55 54.97 2dzj s ASP 17 Cb -0.10 -2.38 0.57 0.00 -0.30 0.00 0.00 42.92 40.70 2dzj s ASP 17 CO 0.37 -0.38 1.44 0.00 -0.17 0.00 0.00 175.17 176.43 2dzj n ALA 18 N -1.05 2.48 0.06 3.66 0.00 -0.55 -2.43 120.51 122.67 2dzj n ALA 18 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2dzj n ALA 18 Cb 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.54 0.00 0.01 0.00 3.00 -1.26 -4.85 118.16 115.60 2dzj n LYS 19 Ca 0.15 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.57 2dzj n LYS 19 Cb 0.35 -0.31 0.03 0.00 0.00 0.00 0.00 35.03 35.10 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 -3.28 0.04 -3.96 3.15 -2.24 -1.26 -4.98 114.28 101.74 2dzj n THR 20 Ca 0.00 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 2dzj n THR 20 Cb 0.10 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.62 -3.30 -4.38 -0.78 1.74 -1.02 -4.89 116.66 102.41 2dzj n ARG 21 Ca 0.04 0.40 -0.35 0.00 -0.77 0.00 0.00 57.85 57.17 2dzj n ARG 21 Cb 0.36 -4.55 -0.10 0.00 -1.02 0.00 0.00 32.46 27.16 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 -6.57 2.97 -0.26 5.56 0.41 -1.26 -4.63 118.70 114.92 2dzj s GLU 22 Ca 0.03 -0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 53.88 2dzj s GLU 22 Cb -0.02 -2.78 -0.07 0.00 -1.78 0.00 0.00 34.13 29.48 2dzj s GLU 22 CO 0.89 0.70 2.23 1.17 -0.49 0.00 0.00 175.26 179.76 2dzj n LYS 23 N 2.14 1.72 -0.10 1.61 3.00 -1.26 -3.19 118.16 122.08 2dzj n LYS 23 Ca -0.19 0.46 -0.16 0.00 -0.00 0.00 0.00 58.31 58.42 2dzj n LYS 23 Cb 0.54 -3.05 -0.13 0.00 0.00 0.00 0.00 35.03 32.38 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 11.40 2.11 -3.69 3.14 4.77 -0.96 -4.97 117.00 128.79 2dzj n LEU 24 Ca 0.33 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2dzj n LEU 24 Cb 0.40 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 2dzj n LEU 24 CO 0.69 0.79 0.07 0.00 -1.33 0.00 0.00 177.39 177.61 2dzj s PHE 26 N 1.60 3.23 -0.42 0.00 5.36 -1.26 -1.37 117.98 125.11 2dzj s PHE 26 Ca -0.08 -1.94 -0.04 0.00 -0.96 0.00 0.00 56.93 53.90 2dzj s PHE 26 Cb -0.09 -2.05 0.11 0.00 -0.34 0.00 0.00 43.02 40.66 2dzj s PHE 26 CO -0.13 -0.81 0.24 -0.51 -1.46 0.00 0.00 175.22 172.54 2dzj s LEU 27 N 1.22 5.34 0.00 6.12 1.43 -0.24 -4.91 118.68 127.64 2dzj s LEU 27 Ca -0.05 -2.03 0.13 0.00 -1.03 0.00 0.00 54.13 51.15 2dzj s LEU 27 Cb -0.19 -1.86 0.41 0.00 0.03 0.00 0.00 46.19 44.57 2dzj s LEU 27 CO -0.03 -0.57 1.32 -0.90 0.23 0.00 0.00 176.35 176.41 2dzj n ASP 28 N 4.63 1.91 -3.14 2.29 5.68 -1.26 -1.22 116.55 125.44 2dzj n ASP 28 Ca -0.03 -1.94 -0.22 0.00 -0.50 0.00 0.00 54.79 52.10 2dzj n ASP 28 Cb 0.41 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.53 1.67 -4.18 0.11 4.76 -1.24 -3.69 118.16 116.13 2dzj n LYS 29 Ca 0.13 -3.86 -0.32 0.00 -2.87 0.00 0.00 58.31 51.39 2dzj n LYS 29 Cb 0.31 -1.82 -0.08 0.00 -1.84 0.00 0.00 35.03 31.60 2dzj n LYS 29 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dzj s VAL 30 N -2.81 4.37 0.23 -0.18 1.01 -1.17 -4.96 120.40 116.88 2dzj s VAL 30 Ca 0.42 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 2dzj s VAL 30 Cb 0.29 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2dzj s VAL 30 CO -0.10 0.30 0.82 -1.61 0.00 0.00 0.00 175.10 174.52 2dzj s GLU 31 N -1.82 4.51 0.32 2.72 2.02 -1.26 -3.41 118.70 121.78 2dzj s GLU 31 Ca 0.23 1.15 0.11 0.00 0.02 0.00 0.00 54.97 56.48 2dzj s GLU 31 Cb -0.12 -3.04 0.54 0.00 0.10 0.00 0.00 34.13 31.62 2dzj s GLU 31 CO 0.14 0.44 1.72 -1.00 0.02 0.00 0.00 175.26 176.58 2dzj h PRO 32 N 3.75 0.01 -0.00 0.39 0.13 -1.99 -2.69 132.00 131.59 2dzj h PRO 32 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dzj h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dzj h PRO 32 CO 0.66 0.49 -0.28 -2.39 -0.23 0.00 0.00 178.00 176.25 2dzj n HIS 33 N -3.96 0.00 -2.00 1.56 1.44 -1.26 -2.29 115.22 108.71 2dzj n HIS 33 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 2dzj n HIS 33 Cb 0.51 -0.24 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 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 -2.75 3.68 0.57 1.59 0.00 -1.02 -4.86 121.76 118.97 2dzj s ALA 34 Ca 0.19 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 2dzj s ALA 34 Cb 0.19 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2dzj s ALA 34 CO 0.58 -0.96 0.88 0.95 0.00 0.00 0.00 175.76 177.21 2dzj s THR 35 N 2.12 3.74 0.33 0.00 -4.23 -1.26 -3.23 115.64 113.11 2dzj s THR 35 Ca 0.71 -0.02 0.10 0.00 -1.18 0.00 0.00 61.69 61.30 2dzj s THR 35 Cb -0.39 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.29 2dzj s THR 35 CO 0.31 -0.48 1.74 0.40 -0.54 0.00 0.00 174.62 176.05 2dzj h ILE 36 N -0.11 0.56 -0.68 2.99 1.08 -1.64 0.10 117.51 119.80 2dzj h ILE 36 Ca -0.45 -0.20 0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2dzj h ILE 36 Cb 1.25 -0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 2dzj h ILE 36 CO 0.60 0.11 0.30 0.00 -0.69 0.00 0.00 178.15 178.47 2dzj h ALA 37 N 1.71 0.92 -0.30 1.87 0.00 -1.88 -1.99 119.26 119.58 2dzj h ALA 37 Ca 0.63 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.54 2dzj h ALA 37 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dzj h ALA 37 CO -0.44 -0.12 -0.11 0.93 0.00 0.00 0.00 179.25 179.51 2dzj h GLU 38 N 0.51 0.60 -0.54 0.00 4.39 -1.18 -3.20 114.58 115.16 2dzj h GLU 38 Ca 0.34 -0.25 0.11 0.00 0.34 0.00 0.00 59.36 59.90 2dzj h GLU 38 Cb 0.41 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 2dzj h GLU 38 CO -0.30 0.82 -0.22 0.82 -1.16 0.00 0.00 179.01 178.96 2dzj h ILE 39 N 0.36 0.32 -0.59 3.13 1.08 -0.73 -0.17 117.51 120.90 2dzj h ILE 39 Ca 0.07 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.66 2dzj h ILE 39 Cb 0.62 0.32 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2dzj h ILE 39 CO 0.04 0.00 0.08 0.11 -0.69 0.00 0.00 178.15 177.69 2dzj h LYS 40 N -0.09 0.19 0.32 2.37 6.56 -1.44 -2.31 116.57 122.17 2dzj h LYS 40 Ca 0.25 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2dzj h LYS 40 Cb 0.48 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 2dzj h LYS 40 CO -0.61 0.13 -0.42 -0.91 -2.06 0.00 0.00 179.45 175.59 2dzj h ASN 41 N 0.20 -1.16 -1.02 0.86 2.35 -1.06 -1.56 115.58 114.18 2dzj h ASN 41 Ca 0.31 0.11 0.42 0.00 -0.55 0.00 0.00 56.30 56.59 2dzj h ASN 41 Cb 0.48 0.41 -0.18 0.00 0.05 0.00 0.00 38.32 39.08 2dzj h ASN 41 CO -0.44 -0.54 0.56 -0.07 -1.65 0.00 0.00 177.43 175.29 2dzj h LEU 42 N -0.78 0.33 0.11 1.61 3.38 -0.82 0.33 115.31 119.47 2dzj h LEU 42 Ca -0.02 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dzj h LEU 42 Cb 0.73 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dzj h LEU 42 CO -0.12 -0.40 -0.05 0.15 0.09 0.00 0.00 178.44 178.10 2dzj h PHE 43 N 0.03 -0.14 -0.98 1.13 3.04 -1.13 -3.22 116.94 115.67 2dzj h PHE 43 Ca 0.84 -0.00 0.29 0.00 3.98 0.00 0.00 57.97 63.08 2dzj h PHE 43 Cb 2.24 0.05 -0.14 0.00 2.56 0.00 0.00 35.95 40.65 2dzj h PHE 43 CO -0.01 0.33 0.51 1.15 -2.02 0.00 0.00 178.31 178.27 2dzj h THR 44 N -0.70 0.35 -0.21 4.41 2.02 0.55 -2.34 112.91 116.98 2dzj h THR 44 Ca -0.02 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2dzj h THR 44 Cb 0.53 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2dzj h THR 44 CO 0.03 0.06 -0.13 0.29 0.37 0.00 0.00 175.52 176.14 2dzj n LYS 45 N -5.05 -0.09 -0.10 6.66 5.02 -0.66 -0.24 118.16 123.69 2dzj n LYS 45 Ca 0.29 0.86 -0.08 0.00 -2.02 0.00 0.00 58.31 57.36 2dzj n LYS 45 Cb 0.88 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 2dzj n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dzj h THR 46 N 0.00 0.99 -3.51 -0.18 1.03 -1.61 -3.35 112.91 106.28 2dzj h THR 46 Ca 0.03 -0.12 -0.68 0.00 -0.01 0.00 0.00 66.41 65.63 2dzj h THR 46 Cb 0.09 0.61 -0.36 0.00 -1.07 0.00 0.00 68.15 67.41 2dzj h THR 46 CO -0.20 0.06 -0.50 -1.00 -0.01 0.00 0.00 175.52 173.87 2dzj s HIS 47 N -6.16 3.47 0.28 0.00 3.76 0.66 -4.93 115.29 112.37 2dzj s HIS 47 Ca -0.13 -2.71 0.17 0.00 -0.15 0.00 0.00 55.06 52.24 2dzj s HIS 47 Cb 0.11 -3.13 0.74 0.00 1.11 0.00 0.00 32.58 31.41 2dzj s HIS 47 CO 0.71 -0.88 1.79 -1.00 -0.85 0.00 0.00 174.74 174.51 2dzj h PRO 48 N 7.35 0.00 0.00 8.40 0.13 -1.34 -2.85 132.00 143.69 2dzj h PRO 48 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2dzj h PRO 48 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2dzj h PRO 48 CO 0.69 0.38 -0.27 1.96 -0.23 0.00 0.00 178.00 180.53 2dzj h GLN 49 N 0.00 0.00 -5.15 0.86 1.08 -1.92 -3.36 115.11 106.62 2dzj h GLN 49 Ca -0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.50 2dzj h GLN 49 Cb 0.78 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.05 2dzj h GLN 49 CO 0.05 0.27 1.23 -1.58 -0.95 0.00 0.00 178.83 177.85 2dzj s TRP 50 N -4.05 3.15 0.84 2.96 0.52 -1.07 -5.01 118.94 116.27 2dzj s TRP 50 Ca -0.02 -1.60 -0.10 0.00 0.02 0.00 0.00 56.10 54.39 2dzj s TRP 50 Cb 0.13 -4.39 0.10 0.00 -1.15 0.00 0.00 33.47 28.16 2dzj s TRP 50 CO 0.66 -1.54 1.12 1.52 0.02 0.00 0.00 176.95 178.73 2dzj s TYR 51 N 2.74 2.08 0.14 -1.98 1.13 -1.26 -4.59 117.35 115.60 2dzj s TYR 51 Ca 0.40 1.68 -0.11 0.00 -1.41 0.00 0.00 57.07 57.63 2dzj s TYR 51 Cb -0.03 -3.20 -0.04 0.00 -1.10 0.00 0.00 41.96 37.58 2dzj s TYR 51 CO -0.05 -2.32 1.47 -1.00 -2.51 0.00 0.00 175.55 171.15 2dzj h PRO 52 N -1.49 0.93 -1.11 -3.49 0.13 -1.91 -2.39 132.00 122.66 2dzj h PRO 52 Ca -0.43 -0.48 0.32 0.00 -0.87 0.00 0.00 66.00 64.53 2dzj h PRO 52 Cb 1.25 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2dzj h PRO 52 CO 0.46 1.14 0.95 0.00 -0.23 0.00 0.00 178.00 180.32 2dzj h ALA 53 N 0.77 2.99 0.00 -0.56 0.00 -2.01 -2.27 119.26 118.19 2dzj h ALA 53 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2dzj h ALA 53 Cb 0.96 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2dzj h ALA 53 CO 0.09 -1.52 -1.56 -2.13 0.00 0.00 0.00 179.25 174.13 2dzj n ARG 54 N -3.80 0.55 -1.53 0.00 0.63 -1.16 -4.85 116.66 106.50 2dzj n ARG 54 Ca 0.24 0.28 -0.27 0.00 -0.92 0.00 0.00 57.85 57.18 2dzj n ARG 54 Cb 1.31 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 32.60 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 -4.39 0.39 -3.36 -0.14 6.02 -0.85 -4.55 117.38 110.49 2dzj n GLN 55 Ca -0.30 -0.23 -0.38 0.00 -0.01 0.00 0.00 57.00 56.09 2dzj n GLN 55 Cb 0.65 -2.40 -0.06 0.00 1.02 0.00 0.00 30.24 29.44 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 7.89 6.93 0.00 1.08 0.01 -1.25 -4.86 113.70 123.50 2dzj s SER 56 Ca 1.15 1.13 0.06 0.00 1.31 0.00 0.00 55.95 59.60 2dzj s SER 56 Cb -0.60 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.30 2dzj s SER 56 CO 0.35 0.25 -0.20 -0.76 0.41 0.00 0.00 173.24 173.29 2dzj s LEU 57 N -1.30 2.08 0.10 2.44 1.43 -1.25 -2.62 118.68 119.56 2dzj s LEU 57 Ca 0.29 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2dzj s LEU 57 Cb -0.18 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2dzj s LEU 57 CO 0.17 0.21 0.19 -0.13 0.23 0.00 0.00 176.35 177.03 2dzj s ARG 58 N -0.69 0.89 0.00 1.70 0.52 -1.00 -1.36 118.95 119.01 2dzj s ARG 58 Ca 0.07 -1.03 0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2dzj s ARG 58 Cb -0.08 0.34 1.39 0.00 0.52 0.00 0.00 34.95 37.12 2dzj s ARG 58 CO 0.00 -0.29 1.98 1.28 0.02 0.00 0.00 175.30 178.29 2dzj n LEU 59 N -0.08 0.00 -3.62 2.53 4.77 -1.26 -1.53 117.00 117.81 2dzj n LEU 59 Ca -0.13 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2dzj n LEU 59 Cb 0.62 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2dzj n LEU 59 CO 0.23 -0.01 0.95 -1.81 -1.33 0.00 0.00 177.39 175.42 2dzj s ASP 60 N -2.68 -0.22 0.00 -1.43 1.01 -1.26 -4.92 116.67 107.16 2dzj s ASP 60 Ca 0.24 0.29 0.15 0.00 0.71 0.00 0.00 52.55 53.94 2dzj s ASP 60 Cb 0.19 0.25 0.81 0.00 1.01 0.00 0.00 42.92 45.18 2dzj s ASP 60 CO 0.46 -0.17 1.38 -0.81 0.21 0.00 0.00 175.17 176.24 2dzj n PRO 61 N 0.92 0.30 -0.31 8.23 -0.04 -1.26 -2.13 135.00 140.71 2dzj n PRO 61 Ca -0.07 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2dzj n PRO 61 Cb 0.58 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.19 1.02 0.00 0.54 2.85 -1.26 -5.04 118.16 115.09 2dzj n LYS 62 Ca 0.09 -2.37 0.00 0.00 -1.05 0.00 0.00 58.31 54.98 2dzj n LYS 62 Cb 0.10 -1.25 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 -1.02 4.35 3.25 2.58 0.00 -0.91 -5.15 105.19 108.30 2dzj n GLY 63 Ca 0.13 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 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 4.47 1.36 0.28 1.61 0.00 -1.26 -5.02 119.74 121.18 2dzj s LYS 64 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 55.97 54.75 2dzj s LYS 64 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 37.83 36.20 2dzj s LYS 64 CO 0.00 0.38 0.69 -1.13 0.00 0.00 0.00 175.35 175.29 2dzj n SER 65 N 1.78 -0.28 -4.88 0.03 3.41 -1.26 -4.53 113.62 107.89 2dzj n SER 65 Ca -0.17 1.09 -0.30 0.00 -0.26 0.00 0.00 58.87 59.23 2dzj n SER 65 Cb 0.53 -1.11 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 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 1.86 3.27 0.18 1.04 1.43 -0.46 -4.99 118.68 121.00 2dzj s LEU 66 Ca 0.62 1.30 0.10 0.00 -1.03 0.00 0.00 54.13 55.11 2dzj s LEU 66 Cb -0.77 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.10 2dzj s LEU 66 CO 0.58 -0.87 -0.15 -0.54 0.23 0.00 0.00 176.35 175.60 2dzj s LYS 67 N -5.12 1.85 0.46 1.70 1.02 -1.26 -4.91 119.74 113.48 2dzj s LYS 67 Ca 0.54 -1.35 0.16 0.00 0.02 0.00 0.00 55.97 55.34 2dzj s LYS 67 Cb -0.11 -2.05 1.12 0.00 -0.52 0.00 0.00 37.83 36.27 2dzj s LYS 67 CO 0.52 0.43 2.00 0.22 -0.92 0.00 0.00 175.35 177.60 2dzj h ASP 68 N 3.08 0.27 -0.09 2.83 3.58 -1.98 0.32 116.42 124.44 2dzj h ASP 68 Ca -0.47 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.01 2dzj h ASP 68 Cb 1.20 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2dzj h ASP 68 CO 0.51 0.16 0.25 1.05 -2.88 0.00 0.00 179.24 178.33 2dzj h GLU 69 N 0.30 0.00 -7.24 0.28 4.11 -1.99 -3.33 114.58 106.71 2dzj h GLU 69 Ca 0.25 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.17 2dzj h GLU 69 Cb 0.57 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.93 2dzj h GLU 69 CO -0.06 0.00 0.36 -0.51 0.07 0.00 0.00 179.01 178.87 2dzj s ASP 70 N -4.98 5.07 0.05 3.06 1.01 0.10 -4.98 116.67 116.00 2dzj s ASP 70 Ca -0.04 1.89 -0.07 0.00 0.71 0.00 0.00 52.55 55.04 2dzj s ASP 70 Cb 0.12 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2dzj s ASP 70 CO 0.39 -1.65 0.14 -0.69 0.21 0.00 0.00 175.17 173.57 2dzj s VAL 71 N -2.57 0.13 -0.95 -1.27 1.01 -1.26 -3.03 120.40 112.46 2dzj s VAL 71 Ca 0.64 -1.11 0.13 0.00 0.00 0.00 0.00 61.98 61.64 2dzj s VAL 71 Cb -0.18 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.26 2dzj s VAL 71 CO 0.46 -0.61 1.41 0.18 0.00 0.00 0.00 175.10 176.54 2dzj n LEU 72 N 0.50 0.06 -0.00 3.92 4.77 -1.20 0.25 117.00 125.30 2dzj n LEU 72 Ca -0.18 0.52 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 2dzj n LEU 72 Cb 0.60 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2dzj n LEU 72 CO 0.23 -0.32 -0.11 0.00 -1.33 0.00 0.00 177.39 175.86 2dzj n GLN 73 N -1.56 3.03 -0.04 3.23 10.64 -0.97 -4.54 117.38 127.16 2dzj n GLN 73 Ca 0.03 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2dzj n GLN 73 Cb 0.14 -1.04 -0.11 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 -1.34 1.17 -1.40 2.61 5.02 -0.75 -5.01 118.16 118.45 2dzj n LYS 74 Ca 0.01 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 2dzj n LYS 74 Cb 0.18 -1.33 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 2dzj n LYS 74 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2dzj s LEU 75 N -4.48 3.30 0.00 -0.35 2.34 0.14 -4.83 118.68 114.79 2dzj s LEU 75 Ca -0.06 2.34 0.00 0.00 0.06 0.00 0.00 54.13 56.47 2dzj s LEU 75 Cb 0.06 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 2dzj s LEU 75 CO 0.56 -2.29 0.36 -0.81 -1.06 0.00 0.00 176.35 173.11 2dzj n PRO 76 N -2.78 0.49 -4.49 1.48 -0.04 -1.26 -4.73 135.00 123.66 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 -0.25 2.08 0.00 0.52 1.01 -1.26 -5.16 120.40 117.34 2dzj s VAL 77 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2dzj s VAL 77 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 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 -1.04 3.25 0.23 4.51 0.00 -1.26 -4.92 105.19 105.96 2dzj n GLY 78 Ca -0.04 -2.13 0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.43 -0.30 -3.23 2.61 -2.24 -1.26 -3.31 114.28 106.12 2dzj n THR 79 Ca 0.00 1.47 -0.44 0.00 -2.27 0.00 0.00 64.05 62.81 2dzj n THR 79 Cb 0.00 -2.30 -0.07 0.00 -2.10 0.00 0.00 70.33 65.87 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 -5.27 4.99 0.05 4.28 2.01 -1.26 -1.26 115.64 119.17 2dzj s THR 80 Ca -0.07 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2dzj s THR 80 Cb 0.23 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2dzj s THR 80 CO 0.55 -0.73 0.30 0.00 -0.69 0.00 0.00 174.62 174.04 2dzj s ALA 81 N 2.32 3.85 -0.18 7.40 0.00 0.35 -4.92 121.76 130.58 2dzj s ALA 81 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2dzj s ALA 81 Cb -0.21 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.89 2dzj s ALA 81 CO 0.10 0.67 -0.07 0.99 0.00 0.00 0.00 175.76 177.45 2dzj s THR 82 N -1.42 1.33 0.17 0.00 2.01 -1.26 -2.33 115.64 114.15 2dzj s THR 82 Ca 0.32 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.60 2dzj s THR 82 Cb -0.13 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2dzj s THR 82 CO 0.20 0.15 0.07 -0.76 -0.69 0.00 0.00 174.62 173.59 2dzj s LEU 83 N 1.53 3.57 -0.05 4.42 1.43 -1.11 -4.67 118.68 123.80 2dzj s LEU 83 Ca 0.00 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2dzj s LEU 83 Cb -0.16 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2dzj s LEU 83 CO -0.08 0.07 -0.23 -0.31 0.23 0.00 0.00 176.35 176.04 2dzj s TYR 84 N -1.76 2.47 -0.15 0.29 2.02 -0.58 -0.75 117.35 118.90 2dzj s TYR 84 Ca 0.29 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 2dzj s TYR 84 Cb -0.10 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 2dzj s TYR 84 CO 0.21 -0.08 0.36 0.12 -1.57 0.00 0.00 175.55 174.58 2dzj s PHE 85 N -0.38 3.48 -0.16 2.71 2.19 0.15 -2.39 117.98 123.58 2dzj s PHE 85 Ca 0.03 0.70 0.01 0.00 0.33 0.00 0.00 56.93 58.00 2dzj s PHE 85 Cb -0.12 -2.41 0.02 0.00 -1.31 0.00 0.00 43.02 39.19 2dzj s PHE 85 CO 0.02 0.21 -0.19 0.50 1.83 0.00 0.00 175.22 177.59 2dzj s ARG 86 N 0.52 2.77 0.04 10.12 6.06 -1.08 -1.49 118.95 135.91 2dzj s ARG 86 Ca 0.20 -0.75 -0.31 0.00 -2.50 0.00 0.00 55.73 52.37 2dzj s ARG 86 Cb -0.14 -2.38 -0.07 0.00 0.06 0.00 0.00 34.95 32.42 2dzj s ARG 86 CO 0.06 -0.17 1.48 0.16 -2.50 0.00 0.00 175.30 174.33 2dzj s ASP 87 N 1.22 6.77 0.00 -2.12 1.47 -1.26 -3.87 116.67 118.88 2dzj s ASP 87 Ca 0.02 2.27 0.08 0.00 1.18 0.00 0.00 52.55 56.10 2dzj s ASP 87 Cb -0.14 -2.57 0.06 0.00 -0.34 0.00 0.00 42.92 39.94 2dzj s ASP 87 CO -0.09 -0.76 0.76 0.18 0.68 0.00 0.00 175.17 175.93