#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 5.34 0.72 1.61 1.04 -1.26 -5.12 113.70 116.02 2dzj s SER 2 Ca 0.00 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 2dzj s SER 2 Cb 0.00 -0.76 0.05 0.00 0.10 0.00 0.00 66.02 65.41 2dzj s SER 2 CO 0.00 -0.58 1.07 -0.55 0.98 0.00 0.00 173.24 174.16 2dzj s SER 3 N -4.15 5.02 -0.07 7.02 0.15 -1.26 -5.10 113.70 115.32 2dzj s SER 3 Ca 0.48 0.79 -0.31 0.00 0.70 0.00 0.00 55.95 57.60 2dzj s SER 3 Cb -0.06 -1.49 0.12 0.00 -1.71 0.00 0.00 66.02 62.88 2dzj s SER 3 CO 0.29 -1.53 1.06 -0.83 1.20 0.00 0.00 173.24 173.43 2dzj s GLY 4 N -4.46 -0.37 -0.81 9.45 0.00 -1.26 -5.10 107.32 104.77 2dzj s GLY 4 Ca 0.59 1.16 -0.00 0.00 0.00 0.00 0.00 44.72 46.47 2dzj s GLY 4 CO 0.48 0.37 0.66 -0.56 0.00 0.00 0.00 173.10 174.06 2dzj s SER 5 N -2.43 5.62 -0.12 1.64 0.01 -1.26 -5.06 113.70 112.10 2dzj s SER 5 Ca 0.08 -3.61 -0.29 0.00 1.31 0.00 0.00 55.95 53.44 2dzj s SER 5 Cb -0.01 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 2dzj s SER 5 CO -0.06 -0.19 1.44 -0.94 0.41 0.00 0.00 173.24 173.90 2dzj s SER 6 N -0.29 6.81 0.00 2.44 1.04 -1.26 -4.79 113.70 117.65 2dzj s SER 6 Ca 0.25 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.61 2dzj s SER 6 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2dzj s SER 6 CO -0.12 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.87 2dzj n GLY 7 N 3.87 0.69 3.69 7.32 0.00 -1.26 -5.12 105.19 114.38 2dzj n GLY 7 Ca 0.15 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 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 2.70 4.20 -0.53 1.61 1.00 -1.26 -4.97 119.30 122.05 2dzj s MET 8 Ca 0.00 2.31 -0.01 0.00 0.00 0.00 0.00 55.69 57.99 2dzj s MET 8 Cb 0.00 -3.64 0.14 0.00 0.00 0.00 0.00 34.83 31.33 2dzj s MET 8 CO 0.00 -0.74 0.32 0.21 0.00 0.00 0.00 175.02 174.81 2dzj s LYS 9 N 2.78 2.23 0.36 2.03 2.20 -1.26 -5.07 119.74 123.01 2dzj s LYS 9 Ca 0.74 -2.34 0.04 0.00 -0.36 0.00 0.00 55.97 54.05 2dzj s LYS 9 Cb -0.39 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 2dzj s LYS 9 CO 0.32 -1.12 0.16 -1.01 -0.36 0.00 0.00 175.35 173.34 2dzj s HIS 10 N 0.24 1.73 0.06 4.03 3.76 -1.26 -5.07 115.29 118.77 2dzj s HIS 10 Ca 0.15 -1.37 -0.22 0.00 -0.15 0.00 0.00 55.06 53.47 2dzj s HIS 10 Cb -0.22 -0.99 -0.06 0.00 1.11 0.00 0.00 32.58 32.42 2dzj s HIS 10 CO -0.03 -0.46 0.64 0.71 -0.85 0.00 0.00 174.74 174.75 2dzj s TYR 11 N -3.38 3.78 -0.41 1.40 1.51 -0.59 -4.89 117.35 114.77 2dzj s TYR 11 Ca 0.31 1.34 -0.15 0.00 -1.01 0.00 0.00 57.07 57.56 2dzj s TYR 11 Cb 0.03 -2.63 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2dzj s TYR 11 CO 0.18 0.46 0.31 -1.21 -1.11 0.00 0.00 175.55 174.18 2dzj s GLU 12 N -0.68 3.02 -0.21 -0.62 2.02 -0.55 -3.00 118.70 118.68 2dzj s GLU 12 Ca 0.32 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.37 2dzj s GLU 12 Cb -0.20 -3.97 0.03 0.00 0.10 0.00 0.00 34.13 30.10 2dzj s GLU 12 CO 0.20 -0.74 -0.17 0.08 0.02 0.00 0.00 175.26 174.65 2dzj s VAL 13 N 1.74 2.10 -0.44 2.63 1.01 -0.20 -1.18 120.40 126.07 2dzj s VAL 13 Ca 0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 2dzj s VAL 13 Cb -0.19 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.28 2dzj s VAL 13 CO 0.10 0.33 0.28 -1.83 0.00 0.00 0.00 175.10 173.99 2dzj s GLU 14 N 1.22 2.49 -0.54 2.72 1.03 -1.12 -1.28 118.70 123.22 2dzj s GLU 14 Ca -0.00 -1.61 -0.28 0.00 0.03 0.00 0.00 54.97 53.11 2dzj s GLU 14 Cb -0.16 -3.80 0.01 0.00 -0.80 0.00 0.00 34.13 29.39 2dzj s GLU 14 CO -0.10 -1.05 1.41 0.42 -1.33 0.00 0.00 175.26 174.61 2dzj s ILE 15 N 1.37 3.81 0.49 1.83 1.01 -0.69 -3.42 121.20 125.59 2dzj s ILE 15 Ca 0.04 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.48 2dzj s ILE 15 Cb -0.24 -4.41 0.02 0.00 0.01 0.00 0.00 42.46 37.83 2dzj s ILE 15 CO 0.00 -1.11 0.44 -0.76 0.00 0.00 0.00 174.94 173.51 2dzj s LEU 16 N 5.95 3.09 0.37 2.97 1.43 0.32 -2.38 118.68 130.43 2dzj s LEU 16 Ca 0.53 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2dzj s LEU 16 Cb -0.11 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2dzj s LEU 16 CO 0.26 -0.92 0.64 -0.62 0.23 0.00 0.00 176.35 175.94 2dzj s ASP 17 N -4.26 6.36 0.00 2.29 2.15 -1.24 0.51 116.67 122.49 2dzj s ASP 17 Ca 0.45 0.75 0.28 0.00 0.43 0.00 0.00 52.55 54.45 2dzj s ASP 17 Cb -0.03 -2.16 1.07 0.00 -0.30 0.00 0.00 42.92 41.50 2dzj s ASP 17 CO 0.27 -0.35 1.75 0.00 -0.17 0.00 0.00 175.17 176.67 2dzj n ALA 18 N -1.56 2.58 0.00 3.66 0.00 -1.08 -2.75 120.51 121.36 2dzj n ALA 18 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2dzj n ALA 18 Cb 0.55 -1.18 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 0.12 0.00 0.00 0.00 4.81 -1.26 -4.82 118.16 117.02 2dzj n LYS 19 Ca 0.19 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.76 2dzj n LYS 19 Cb 0.34 -0.04 0.45 0.00 0.02 0.00 0.00 35.03 35.79 2dzj n LYS 19 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2dzj n THR 20 N -2.59 0.00 -1.90 3.15 5.66 -1.26 -4.91 114.28 112.43 2dzj n THR 20 Ca 0.00 -0.18 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 2dzj n THR 20 Cb 0.00 0.43 -0.01 0.00 -1.55 0.00 0.00 70.33 69.20 2dzj n THR 20 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2dzj n ARG 21 N -0.29 -2.03 -2.27 1.09 1.74 -1.11 -4.84 116.66 108.95 2dzj n ARG 21 Ca 0.15 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 2dzj n ARG 21 Cb 0.35 -4.57 -0.03 0.00 -1.02 0.00 0.00 32.46 27.19 2dzj n ARG 21 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2dzj s GLU 22 N -3.87 4.38 -0.21 5.56 -1.05 -1.26 -4.30 118.70 117.94 2dzj s GLU 22 Ca 0.00 1.96 -0.35 0.00 -0.15 0.00 0.00 54.97 56.44 2dzj s GLU 22 Cb 0.00 -3.26 -0.11 0.00 -0.44 0.00 0.00 34.13 30.31 2dzj s GLU 22 CO 0.00 -0.31 2.00 1.17 0.95 0.00 0.00 175.26 179.07 2dzj n LYS 23 N 3.53 1.66 -0.13 -4.83 3.00 -1.26 -3.62 118.16 116.50 2dzj n LYS 23 Ca 0.09 0.55 -0.25 0.00 -0.00 0.00 0.00 58.31 58.70 2dzj n LYS 23 Cb 0.44 -2.58 -0.11 0.00 0.00 0.00 0.00 35.03 32.78 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 8.10 2.32 -3.67 3.14 4.77 -1.00 -5.04 117.00 125.61 2dzj n LEU 24 Ca 0.30 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 2dzj n LEU 24 Cb 0.27 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 2dzj n LEU 24 CO 0.74 0.70 0.17 0.00 -1.33 0.00 0.00 177.39 177.67 2dzj s PHE 26 N -1.51 1.39 -0.45 0.00 5.36 -1.26 -1.71 117.98 119.80 2dzj s PHE 26 Ca -0.11 -1.18 -0.08 0.00 -0.96 0.00 0.00 56.93 54.60 2dzj s PHE 26 Cb -0.03 -1.25 0.11 0.00 -0.34 0.00 0.00 43.02 41.51 2dzj s PHE 26 CO 0.05 -0.69 0.30 -0.51 -1.46 0.00 0.00 175.22 172.90 2dzj s LEU 27 N 1.73 5.50 -0.11 6.12 1.43 -0.40 -4.91 118.68 128.04 2dzj s LEU 27 Ca 0.00 -1.87 0.17 0.00 -1.03 0.00 0.00 54.13 51.40 2dzj s LEU 27 Cb -0.17 -1.96 0.68 0.00 0.03 0.00 0.00 46.19 44.76 2dzj s LEU 27 CO -0.11 -0.63 1.58 -0.90 0.23 0.00 0.00 176.35 176.51 2dzj n ASP 28 N 4.84 4.55 -2.47 2.29 5.68 -1.26 -1.03 116.55 129.14 2dzj n ASP 28 Ca -0.07 -2.45 -0.13 0.00 -0.50 0.00 0.00 54.79 51.64 2dzj n ASP 28 Cb 0.41 -0.57 0.03 0.00 -1.14 0.00 0.00 41.12 39.85 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 1.02 2.55 -3.81 0.11 5.02 -1.23 -4.27 118.16 117.56 2dzj n LYS 29 Ca 0.24 -3.83 -0.31 0.00 -2.02 0.00 0.00 58.31 52.39 2dzj n LYS 29 Cb 0.86 -1.89 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 -4.21 5.29 0.25 -0.18 1.01 -1.16 -4.88 120.40 116.51 2dzj s VAL 30 Ca 0.38 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2dzj s VAL 30 Cb 0.38 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2dzj s VAL 30 CO -0.02 0.09 0.63 -1.61 0.00 0.00 0.00 175.10 174.20 2dzj s GLU 31 N -2.58 3.95 0.15 2.72 2.02 -1.26 -1.54 118.70 122.16 2dzj s GLU 31 Ca 0.38 0.51 -0.10 0.00 0.02 0.00 0.00 54.97 55.78 2dzj s GLU 31 Cb -0.13 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2dzj s GLU 31 CO 0.26 0.29 1.48 -1.00 0.02 0.00 0.00 175.26 176.32 2dzj h PRO 32 N 2.70 0.93 0.00 0.39 0.13 -1.98 -2.81 132.00 131.36 2dzj h PRO 32 Ca -0.48 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 2dzj h PRO 32 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dzj h PRO 32 CO 0.67 1.14 0.00 -2.39 -0.23 0.00 0.00 178.00 177.19 2dzj n HIS 33 N -4.06 0.00 -1.97 1.56 1.44 -1.26 -1.91 115.22 109.03 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 0.55 -0.33 -0.03 0.00 0.12 0.00 0.00 29.99 30.30 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 -2.66 3.71 0.32 1.59 0.00 -1.06 -4.83 121.76 118.82 2dzj s ALA 34 Ca 0.20 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 2dzj s ALA 34 Cb 0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2dzj s ALA 34 CO 0.37 -0.77 0.55 0.95 0.00 0.00 0.00 175.76 176.86 2dzj s THR 35 N 0.66 5.08 0.33 0.00 -4.23 -1.26 -2.61 115.64 113.61 2dzj s THR 35 Ca 0.65 -0.25 0.12 0.00 -1.18 0.00 0.00 61.69 61.04 2dzj s THR 35 Cb -0.43 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 69.93 2dzj s THR 35 CO 0.36 -0.45 1.65 0.40 -0.54 0.00 0.00 174.62 176.04 2dzj h ILE 36 N 1.01 0.28 -0.57 2.99 1.08 -1.53 0.26 117.51 121.02 2dzj h ILE 36 Ca -0.49 -0.09 0.11 0.00 -0.39 0.00 0.00 64.86 64.00 2dzj h ILE 36 Cb 1.21 -0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 34.85 2dzj h ILE 36 CO 0.64 0.05 0.05 0.00 -0.69 0.00 0.00 178.15 178.20 2dzj h ALA 37 N 1.85 0.61 0.04 1.87 0.00 -1.87 -2.05 119.26 119.70 2dzj h ALA 37 Ca 0.70 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.76 2dzj h ALA 37 Cb 1.57 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2dzj h ALA 37 CO -0.63 -0.36 -0.02 0.93 0.00 0.00 0.00 179.25 179.17 2dzj h GLU 38 N 0.17 -0.05 -0.89 0.00 4.39 -0.87 -3.05 114.58 114.28 2dzj h GLU 38 Ca 0.30 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.19 2dzj h GLU 38 Cb 0.46 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.95 2dzj h GLU 38 CO -0.44 0.14 -0.15 0.82 -1.16 0.00 0.00 179.01 178.22 2dzj h ILE 39 N -0.23 0.13 -0.64 3.13 1.08 -0.98 0.46 117.51 120.45 2dzj h ILE 39 Ca -0.01 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2dzj h ILE 39 Cb 0.21 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 33.99 2dzj h ILE 39 CO 0.01 0.00 0.24 0.11 -0.69 0.00 0.00 178.15 177.82 2dzj h LYS 40 N 0.02 0.41 0.17 2.37 6.56 -1.34 -2.23 116.57 122.53 2dzj h LYS 40 Ca 0.46 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 2dzj h LYS 40 Cb 0.76 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 2dzj h LYS 40 CO -0.88 0.27 -0.17 -0.91 -2.06 0.00 0.00 179.45 175.69 2dzj h ASN 41 N 0.42 -0.47 -0.79 0.86 2.35 -0.10 -1.90 115.58 115.95 2dzj h ASN 41 Ca 0.33 0.05 0.17 0.00 -0.55 0.00 0.00 56.30 56.30 2dzj h ASN 41 Cb 0.43 0.16 -0.14 0.00 0.05 0.00 0.00 38.32 38.82 2dzj h ASN 41 CO -0.33 -0.26 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.02 2dzj h LEU 42 N -0.38 -0.56 -0.65 1.61 3.38 -0.78 0.29 115.31 118.22 2dzj h LEU 42 Ca 0.00 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dzj h LEU 42 Cb 0.36 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2dzj h LEU 42 CO -0.05 -0.24 0.33 0.15 0.09 0.00 0.00 178.44 178.73 2dzj h PHE 43 N 0.04 0.92 -0.85 1.13 3.04 -1.15 -2.71 116.94 117.36 2dzj h PHE 43 Ca 0.41 -0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.39 2dzj h PHE 43 Cb 0.69 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 38.84 2dzj h PHE 43 CO -0.53 0.68 0.52 1.15 -2.02 0.00 0.00 178.31 178.11 2dzj h THR 44 N 0.90 1.02 -0.28 4.41 2.02 0.31 -2.80 112.91 118.49 2dzj h THR 44 Ca 0.23 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.11 2dzj h THR 44 Cb 0.09 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 2dzj h THR 44 CO -0.03 0.17 -0.16 0.29 0.37 0.00 0.00 175.52 176.16 2dzj n LYS 45 N -4.64 -0.12 0.12 6.66 5.02 -0.39 -1.08 118.16 123.73 2dzj n LYS 45 Ca 0.12 0.89 -0.14 0.00 -2.02 0.00 0.00 58.31 57.16 2dzj n LYS 45 Cb 0.19 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.87 -3.53 -0.18 2.02 -1.68 -3.37 112.91 107.04 2dzj h THR 46 Ca 0.04 -0.31 -0.73 0.00 0.77 0.00 0.00 66.41 66.19 2dzj h THR 46 Cb 0.11 1.06 -0.31 0.00 -1.74 0.00 0.00 68.15 67.27 2dzj h THR 46 CO -0.26 0.07 -0.28 -1.00 0.37 0.00 0.00 175.52 174.43 2dzj s HIS 47 N -5.54 3.51 0.12 3.16 3.76 -0.24 -4.93 115.29 115.13 2dzj s HIS 47 Ca -0.15 -2.29 -0.13 0.00 -0.15 0.00 0.00 55.06 52.34 2dzj s HIS 47 Cb 0.04 -3.43 -0.07 0.00 1.11 0.00 0.00 32.58 30.23 2dzj s HIS 47 CO 0.63 -0.93 1.44 -1.00 -0.85 0.00 0.00 174.74 174.04 2dzj h PRO 48 N 7.67 0.81 -1.05 8.40 0.13 -1.38 -3.09 132.00 143.49 2dzj h PRO 48 Ca -0.05 -0.43 0.28 0.00 -0.87 0.00 0.00 66.00 64.94 2dzj h PRO 48 Cb 1.01 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 2dzj h PRO 48 CO 0.76 1.06 0.72 1.96 -0.23 0.00 0.00 178.00 182.27 2dzj h GLN 49 N 0.59 0.19 -5.79 0.86 4.20 -1.91 -3.33 115.11 109.93 2dzj h GLN 49 Ca 0.05 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.15 2dzj h GLN 49 Cb 0.91 -0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.53 2dzj h GLN 49 CO 0.08 0.13 0.79 -1.58 -0.67 0.00 0.00 178.83 177.58 2dzj s TRP 50 N -5.22 2.54 0.66 2.96 0.52 -1.17 -5.02 118.94 114.21 2dzj s TRP 50 Ca -0.07 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.52 2dzj s TRP 50 Cb 0.24 -4.44 -0.02 0.00 -1.15 0.00 0.00 33.47 28.11 2dzj s TRP 50 CO 0.79 -1.81 1.05 1.52 0.02 0.00 0.00 176.95 178.52 2dzj s TYR 51 N 4.65 3.40 0.32 -1.98 1.13 -1.25 -4.62 117.35 118.99 2dzj s TYR 51 Ca 0.28 1.32 0.11 0.00 -1.41 0.00 0.00 57.07 57.37 2dzj s TYR 51 Cb -0.12 -2.81 0.53 0.00 -1.10 0.00 0.00 41.96 38.46 2dzj s TYR 51 CO 0.10 -0.95 1.72 -1.00 -2.51 0.00 0.00 175.55 172.91 2dzj h PRO 52 N -0.51 0.03 -0.07 -3.49 0.13 -1.89 -2.24 132.00 123.96 2dzj h PRO 52 Ca -0.44 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 2dzj h PRO 52 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dzj h PRO 52 CO 0.60 0.51 0.10 0.00 -0.23 0.00 0.00 178.00 178.98 2dzj h ALA 53 N 1.49 1.53 0.00 -0.56 0.00 -2.01 -3.20 119.26 116.51 2dzj h ALA 53 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2dzj h ALA 53 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dzj h ALA 53 CO 0.06 -0.13 -1.24 -2.13 0.00 0.00 0.00 179.25 175.81 2dzj n ARG 54 N -3.65 0.53 -1.41 0.00 0.63 -1.09 -4.91 116.66 106.76 2dzj n ARG 54 Ca -0.01 0.21 -0.50 0.00 -0.92 0.00 0.00 57.85 56.63 2dzj n ARG 54 Cb 0.19 -1.41 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 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 -4.40 0.50 -4.08 -0.14 6.02 -0.86 -3.99 117.38 110.44 2dzj n GLN 55 Ca -0.21 0.11 -0.36 0.00 -0.01 0.00 0.00 57.00 56.53 2dzj n GLN 55 Cb 0.57 -2.05 -0.08 0.00 1.02 0.00 0.00 30.24 29.70 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 7.79 5.83 0.04 1.08 0.15 -1.22 -4.87 113.70 122.51 2dzj s SER 56 Ca 1.18 0.28 0.09 0.00 0.70 0.00 0.00 55.95 58.19 2dzj s SER 56 Cb -1.08 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 61.37 2dzj s SER 56 CO 0.52 0.35 -0.26 -0.76 1.20 0.00 0.00 173.24 174.29 2dzj s LEU 57 N -0.69 2.16 -0.07 3.45 1.43 -1.26 -1.83 118.68 121.88 2dzj s LEU 57 Ca 0.12 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2dzj s LEU 57 Cb -0.12 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.87 2dzj s LEU 57 CO 0.02 0.25 0.18 -0.13 0.23 0.00 0.00 176.35 176.90 2dzj s ARG 58 N -1.21 0.20 0.52 1.70 0.52 -0.73 -1.29 118.95 118.65 2dzj s ARG 58 Ca 0.11 0.27 0.35 0.00 -0.52 0.00 0.00 55.73 55.94 2dzj s ARG 58 Cb -0.10 0.07 1.78 0.00 0.52 0.00 0.00 34.95 37.21 2dzj s ARG 58 CO 0.02 -0.04 2.06 -0.07 0.02 0.00 0.00 175.30 177.29 2dzj h LEU 59 N 6.05 0.00 -7.28 2.53 3.38 -1.83 -1.37 115.31 116.79 2dzj h LEU 59 Ca -0.27 0.00 -0.08 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 41.77 2dzj h LEU 59 CO 0.40 0.00 -0.04 -1.81 0.09 0.00 0.00 178.44 177.08 2dzj s ASP 60 N -4.90 -0.38 0.31 -0.43 1.11 -1.26 -4.85 116.67 106.27 2dzj s ASP 60 Ca -0.02 0.20 0.25 0.00 0.18 0.00 0.00 52.55 53.16 2dzj s ASP 60 Cb 0.10 0.45 1.05 0.00 1.07 0.00 0.00 42.92 45.59 2dzj s ASP 60 CO 0.38 -0.63 1.75 1.55 1.18 0.00 0.00 175.17 179.41 2dzj h PRO 61 N 3.10 0.00 -0.09 8.23 0.13 -1.92 -2.90 132.00 138.54 2dzj h PRO 61 Ca -0.30 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 2dzj h PRO 61 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2dzj h PRO 61 CO 0.41 0.00 -0.64 0.36 -0.23 0.00 0.00 178.00 177.90 2dzj n LYS 62 N -2.37 1.56 0.00 0.86 2.85 -1.26 -5.00 118.16 114.80 2dzj n LYS 62 Ca 0.02 -3.20 0.00 0.00 -1.05 0.00 0.00 58.31 54.08 2dzj n LYS 62 Cb 0.24 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 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 -0.80 1.41 3.34 2.58 0.00 -1.09 -5.17 105.19 105.46 2dzj n GLY 63 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 3.25 1.85 0.25 1.61 -0.14 -1.26 -5.04 119.74 120.26 2dzj s LYS 64 Ca 0.00 -1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 52.32 2dzj s LYS 64 Cb 0.00 0.36 -0.09 0.00 -1.68 0.00 0.00 37.83 36.42 2dzj s LYS 64 CO 0.00 -0.71 0.98 -1.54 -0.76 0.00 0.00 175.35 173.32 2dzj s SER 65 N -3.36 7.55 0.55 2.83 1.04 -1.26 -4.25 113.70 116.80 2dzj s SER 65 Ca 0.38 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.74 2dzj s SER 65 Cb 0.01 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 2dzj s SER 65 CO 0.27 0.08 0.93 -0.76 0.98 0.00 0.00 173.24 174.74 2dzj s LEU 66 N -1.20 3.43 0.11 2.42 1.43 -0.41 -5.00 118.68 119.46 2dzj s LEU 66 Ca 0.42 1.26 0.07 0.00 -1.03 0.00 0.00 54.13 54.85 2dzj s LEU 66 Cb -0.27 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2dzj s LEU 66 CO 0.34 -0.72 -0.16 -0.54 0.23 0.00 0.00 176.35 175.50 2dzj s LYS 67 N -4.85 1.03 0.25 1.70 -0.14 -1.26 -4.89 119.74 111.58 2dzj s LYS 67 Ca 0.53 -1.17 -0.10 0.00 -1.36 0.00 0.00 55.97 53.87 2dzj s LYS 67 Cb -0.11 -1.06 0.38 0.00 -1.68 0.00 0.00 37.83 35.37 2dzj s LYS 67 CO 0.48 0.22 1.59 0.22 -0.76 0.00 0.00 175.35 177.10 2dzj h ASP 68 N 3.81 -0.78 -1.18 2.83 1.82 -1.95 0.39 116.42 121.35 2dzj h ASP 68 Ca -0.42 0.26 0.40 0.00 -0.39 0.00 0.00 57.03 56.88 2dzj h ASP 68 Cb 1.19 0.53 -0.11 0.00 0.68 0.00 0.00 39.33 41.62 2dzj h ASP 68 CO 0.45 -0.28 0.77 -1.84 -1.61 0.00 0.00 179.24 176.73 2dzj n GLU 69 N -5.55 -0.03 -2.09 0.28 0.28 -1.26 -3.56 120.64 108.72 2dzj n GLU 69 Ca 0.13 1.02 -0.39 0.00 -0.16 0.00 0.00 57.16 57.76 2dzj n GLU 69 Cb 0.44 -2.04 -0.00 0.00 1.43 0.00 0.00 31.44 31.27 2dzj n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dzj s ASP 70 N -4.28 6.15 0.07 -1.84 1.01 0.14 -4.96 116.67 112.95 2dzj s ASP 70 Ca -0.06 2.54 0.04 0.00 0.71 0.00 0.00 52.55 55.78 2dzj s ASP 70 Cb 0.25 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 2dzj s ASP 70 CO 0.68 -0.95 -0.11 -0.69 0.21 0.00 0.00 175.17 174.30 2dzj s VAL 71 N -1.36 0.92 -0.65 -1.27 1.01 -1.26 -2.49 120.40 115.31 2dzj s VAL 71 Ca 0.61 -1.33 0.13 0.00 0.00 0.00 0.00 61.98 61.39 2dzj s VAL 71 Cb -0.35 -1.02 0.13 0.00 0.00 0.00 0.00 36.38 35.14 2dzj s VAL 71 CO 0.44 -0.35 1.39 0.18 0.00 0.00 0.00 175.10 176.76 2dzj n LEU 72 N 1.15 0.29 -0.00 3.92 4.77 -1.07 0.11 117.00 126.17 2dzj n LEU 72 Ca -0.20 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 2dzj n LEU 72 Cb 0.55 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2dzj n LEU 72 CO 0.22 -0.64 -0.18 0.00 -1.33 0.00 0.00 177.39 175.47 2dzj n GLN 73 N -1.87 2.89 -0.09 3.23 10.64 -0.80 -4.56 117.38 126.82 2dzj n GLN 73 Ca 0.00 -0.02 -0.08 0.00 -1.83 0.00 0.00 57.00 55.07 2dzj n GLN 73 Cb 0.06 -1.03 -0.16 0.00 -0.86 0.00 0.00 30.24 28.25 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 -1.39 0.69 -1.18 2.61 4.76 -0.25 -4.98 118.16 118.42 2dzj n LYS 74 Ca 0.01 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.09 2dzj n LYS 74 Cb 0.18 -1.52 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 -0.48 -1.37 0.00 0.00 177.40 175.55 2dzj s LEU 75 N -5.41 3.18 0.00 -0.35 2.34 0.12 -4.82 118.68 113.75 2dzj s LEU 75 Ca -0.10 2.40 0.00 0.00 0.06 0.00 0.00 54.13 56.49 2dzj s LEU 75 Cb 0.07 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.11 2dzj s LEU 75 CO 0.84 -2.61 0.37 -0.81 -1.06 0.00 0.00 176.35 173.08 2dzj n PRO 76 N -3.16 0.49 -4.61 1.48 -0.04 -1.26 -4.73 135.00 123.16 2dzj n PRO 76 Ca 0.14 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 1.84 0.00 0.52 1.01 -1.26 -5.16 120.40 117.15 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 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.47 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 -0.97 5.06 0.33 4.51 0.00 -1.26 -4.89 105.19 107.96 2dzj n GLY 78 Ca -0.06 -2.05 0.25 0.00 0.00 0.00 0.00 46.02 44.16 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 0.08 0.08 -3.01 2.61 1.35 -1.94 -3.12 112.91 108.97 2dzj h THR 79 Ca 0.00 -0.03 -0.73 0.00 -0.55 0.00 0.00 66.41 65.11 2dzj h THR 79 Cb 0.00 -0.00 -0.21 0.00 -1.73 0.00 0.00 68.15 66.21 2dzj h THR 79 CO 0.00 0.01 0.47 -0.89 -0.25 0.00 0.00 175.52 174.87 2dzj s THR 80 N -5.68 5.08 0.17 6.82 2.01 -1.26 -1.49 115.64 121.28 2dzj s THR 80 Ca -0.10 -1.85 -0.06 0.00 0.31 0.00 0.00 61.69 59.99 2dzj s THR 80 Cb 0.32 -4.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 2dzj s THR 80 CO 0.78 -1.28 0.42 0.00 -0.69 0.00 0.00 174.62 173.85 2dzj s ALA 81 N 1.73 3.74 -0.12 7.40 0.00 -0.32 -5.01 121.76 129.17 2dzj s ALA 81 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2dzj s ALA 81 Cb -0.09 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.85 2dzj s ALA 81 CO -0.07 0.63 -0.11 0.99 0.00 0.00 0.00 175.76 177.19 2dzj s THR 82 N -1.70 1.26 -0.07 0.00 2.01 -1.26 -2.81 115.64 113.06 2dzj s THR 82 Ca 0.43 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2dzj s THR 82 Cb -0.12 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 2dzj s THR 82 CO 0.24 0.40 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.62 2dzj s LEU 83 N 1.47 2.38 -0.09 4.42 1.43 -1.22 -4.67 118.68 122.40 2dzj s LEU 83 Ca 0.02 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2dzj s LEU 83 Cb -0.13 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2dzj s LEU 83 CO -0.07 0.26 0.11 -0.31 0.23 0.00 0.00 176.35 176.57 2dzj s TYR 84 N -0.23 3.47 -0.11 0.29 2.02 -0.52 -0.52 117.35 121.76 2dzj s TYR 84 Ca -0.00 0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.97 2dzj s TYR 84 Cb -0.13 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2dzj s TYR 84 CO 0.03 0.65 0.31 0.12 -1.57 0.00 0.00 175.55 175.10 2dzj s PHE 85 N -1.06 3.56 -0.03 2.71 2.19 0.18 -1.78 117.98 123.75 2dzj s PHE 85 Ca 0.17 0.71 0.03 0.00 0.33 0.00 0.00 56.93 58.18 2dzj s PHE 85 Cb -0.12 -2.28 -0.00 0.00 -1.31 0.00 0.00 43.02 39.31 2dzj s PHE 85 CO 0.07 0.42 -0.13 0.50 1.83 0.00 0.00 175.22 177.90 2dzj s ARG 86 N -0.17 1.38 -0.25 10.12 6.06 -0.76 -2.64 118.95 132.69 2dzj s ARG 86 Ca 0.19 -0.46 -0.29 0.00 -2.50 0.00 0.00 55.73 52.67 2dzj s ARG 86 Cb -0.14 -1.23 -0.03 0.00 0.06 0.00 0.00 34.95 33.61 2dzj s ARG 86 CO 0.07 0.19 1.76 0.16 -2.50 0.00 0.00 175.30 174.97 2dzj s ASP 87 N 0.09 6.11 0.00 -2.12 -4.77 -1.26 -3.37 116.67 111.35 2dzj s ASP 87 Ca -0.03 1.56 0.13 0.00 -3.30 0.00 0.00 52.55 50.91 2dzj s ASP 87 Cb -0.10 -2.53 0.10 0.00 -1.09 0.00 0.00 42.92 39.30 2dzj s ASP 87 CO 0.01 -1.49 0.91 -0.11 0.70 0.00 0.00 175.17 175.19