#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zrr s ASP 11 N 0.00 6.11 -0.22 1.61 3.68 -1.26 -4.86 116.67 121.72 2zrr s ASP 11 Ca 0.00 -0.81 0.20 0.00 2.13 0.00 0.00 52.55 54.08 2zrr s ASP 11 Cb 0.00 -2.16 0.49 0.00 -1.45 0.00 0.00 42.92 39.80 2zrr s ASP 11 CO 0.00 -0.42 1.14 -0.90 0.13 0.00 0.00 175.17 175.11 2zrr n ASP 12 N 5.18 2.03 -0.11 -0.34 3.85 -1.26 -4.85 116.55 121.05 2zrr n ASP 12 Ca -0.11 -2.36 0.00 0.00 -0.71 0.00 0.00 54.79 51.61 2zrr n ASP 12 Cb 0.47 -0.43 0.28 0.00 -1.35 0.00 0.00 41.12 40.09 2zrr n ASP 12 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 2zrr h ARG 13 N 2.25 0.78 0.11 0.11 3.08 -1.98 0.36 114.38 119.08 2zrr h ARG 13 Ca -0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2zrr h ARG 13 Cb 1.40 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2zrr h ARG 13 CO 0.25 0.59 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.60 2zrr h ARG 14 N 0.78 -0.14 -0.47 0.04 2.43 -1.99 0.28 114.38 115.32 2zrr h ARG 14 Ca 0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2zrr h ARG 14 Cb 0.06 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2zrr h ARG 14 CO -0.03 0.24 0.28 -0.22 -1.51 0.00 0.00 179.97 178.73 2zrr h LYS 15 N -0.55 0.54 -0.01 0.20 3.64 -1.87 -0.57 116.57 117.95 2zrr h LYS 15 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2zrr h LYS 15 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2zrr h LYS 15 CO 0.02 0.36 -0.01 0.87 -2.27 0.00 0.00 179.45 178.42 2zrr h LYS 16 N 0.56 -0.02 -0.60 1.90 1.57 -0.23 -0.23 116.57 119.51 2zrr h LYS 16 Ca 0.19 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2zrr h LYS 16 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2zrr h LYS 16 CO -0.09 -0.01 0.36 0.00 -0.57 0.00 0.00 179.45 179.14 2zrr h ALA 17 N 0.99 0.78 -0.60 3.86 0.00 -0.18 -1.98 119.26 122.13 2zrr h ALA 17 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2zrr h ALA 17 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2zrr h ALA 17 CO -0.02 0.08 0.21 0.93 0.00 0.00 0.00 179.25 180.44 2zrr h GLU 18 N 0.70 0.92 -0.13 0.00 5.08 -0.85 -2.43 114.58 117.87 2zrr h GLU 18 Ca 0.25 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2zrr h GLU 18 Cb 0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2zrr h GLU 18 CO -0.12 0.81 -0.02 0.28 -1.00 0.00 0.00 179.01 178.97 2zrr h VAL 19 N 0.85 0.88 -0.84 3.13 2.07 -0.68 0.27 116.25 121.94 2zrr h VAL 19 Ca 0.20 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.74 2zrr h VAL 19 Cb 0.26 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2zrr h VAL 19 CO -0.01 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.52 2zrr h ILE 20 N 0.02 1.14 -0.35 4.57 2.04 -1.26 -0.59 117.51 123.08 2zrr h ILE 20 Ca 0.06 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2zrr h ILE 20 Cb 0.09 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2zrr h ILE 20 CO -0.12 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.58 2zrr h ILE 21 N 1.05 1.27 -0.11 -0.67 2.04 -1.02 0.18 117.51 120.25 2zrr h ILE 21 Ca 0.33 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.16 2zrr h ILE 21 Cb 0.00 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2zrr h ILE 21 CO -0.11 0.35 -0.06 0.74 0.00 0.00 0.00 178.15 179.07 2zrr h THR 22 N 0.45 0.82 -0.28 -0.27 2.02 -0.50 0.70 112.91 115.86 2zrr h THR 22 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2zrr h THR 22 Cb 0.52 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2zrr h THR 22 CO 0.03 0.00 0.06 -0.33 0.37 0.00 0.00 175.52 175.64 2zrr h GLU 23 N -0.05 0.16 -0.47 6.66 5.08 -0.98 -0.92 114.58 124.07 2zrr h GLU 23 Ca 0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2zrr h GLU 23 Cb 0.14 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2zrr h GLU 23 CO -0.14 0.10 0.27 -0.07 -1.00 0.00 0.00 179.01 178.18 2zrr h LEU 24 N 0.16 0.44 -0.56 1.33 3.38 -0.50 -1.52 115.31 118.04 2zrr h LEU 24 Ca 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2zrr h LEU 24 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2zrr h LEU 24 CO -0.16 0.31 0.19 -0.07 0.09 0.00 0.00 178.44 178.79 2zrr h LEU 25 N 0.54 0.81 -1.87 1.67 3.38 -0.57 0.10 115.31 119.38 2zrr h LEU 25 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2zrr h LEU 25 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2zrr h LEU 25 CO -0.09 0.80 -0.04 -0.78 0.09 0.00 0.00 178.44 178.42 2zrr h ASP 26 N 0.79 0.03 0.39 -0.43 3.58 -0.87 -3.05 116.42 116.86 2zrr h ASP 26 Ca 0.18 -0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.32 2zrr h ASP 26 Cb 0.27 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2zrr h ASP 26 CO -0.01 0.08 -1.72 -0.78 -2.88 0.00 0.00 179.24 173.92 2zrr h ASP 27 N 0.03 0.24 -0.40 2.28 1.82 -0.59 -3.38 116.42 116.42 2zrr h ASP 27 Ca 0.01 -0.45 0.07 0.00 -0.39 0.00 0.00 57.03 56.27 2zrr h ASP 27 Cb 0.09 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 2zrr h ASP 27 CO 0.01 1.39 0.27 -0.07 -1.61 0.00 0.00 179.24 179.23 2zrr h LEU 28 N 0.04 0.21 -0.49 2.28 3.38 -0.70 -3.49 115.31 116.54 2zrr h LEU 28 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2zrr h LEU 28 Cb 2.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2zrr h LEU 28 CO 0.11 0.13 -0.38 -1.84 0.09 0.00 0.00 178.44 176.55 2zrr n GLU 29 N -4.47 -2.08 -2.22 1.13 0.28 -1.25 -4.81 120.64 107.22 2zrr n GLU 29 Ca 0.05 1.51 -0.43 0.00 -0.16 0.00 0.00 57.16 58.13 2zrr n GLU 29 Cb 0.30 -1.66 -0.02 0.00 1.43 0.00 0.00 31.44 31.49 2zrr n GLU 29 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2zrr s ILE 30 N -1.53 3.74 0.06 3.84 1.01 -1.26 -4.83 121.20 122.23 2zrr s ILE 30 Ca 0.00 0.75 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 2zrr s ILE 30 Cb 0.00 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.49 2zrr s ILE 30 CO 0.00 -0.64 0.35 1.51 0.00 0.00 0.00 174.94 176.16 2zrr s ASP 31 N 4.74 -0.18 0.60 3.58 1.47 -1.26 -5.03 116.67 120.58 2zrr s ASP 31 Ca 0.68 -0.19 0.32 0.00 1.18 0.00 0.00 52.55 54.54 2zrr s ASP 31 Cb -0.17 0.40 1.88 0.00 -0.34 0.00 0.00 42.92 44.70 2zrr s ASP 31 CO 0.33 -0.69 2.26 -0.07 0.68 0.00 0.00 175.17 177.68 2zrr h LEU 32 N 2.93 0.00 -0.01 2.11 3.38 -2.02 -2.87 115.31 118.83 2zrr h LEU 32 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2zrr h LEU 32 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2zrr h LEU 32 CO 0.46 0.01 -0.01 1.23 0.09 0.00 0.00 178.44 180.22 2zrr h GLY 33 N 0.07 0.03 -2.64 0.83 0.00 -1.95 -3.34 103.07 96.06 2zrr h GLY 33 Ca -0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 47.33 47.02 2zrr h GLY 33 CO 0.00 0.03 0.13 1.16 0.00 0.00 0.00 176.54 177.86 2zrr n ASN 34 N -4.87 2.84 -0.21 0.19 6.94 -1.15 -4.69 115.26 114.31 2zrr n ASN 34 Ca -0.08 -3.74 -0.09 0.00 -0.02 0.00 0.00 54.58 50.65 2zrr n ASN 34 Cb 0.23 -0.70 0.02 0.00 -2.36 0.00 0.00 39.78 36.97 2zrr n ASN 34 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2zrr h GLU 35 N 1.01 1.02 -0.84 -3.83 4.39 -1.64 -1.83 114.58 112.86 2zrr h GLU 35 Ca 0.35 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2zrr h GLU 35 Cb 2.03 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 30.53 2zrr h GLU 35 CO 0.61 0.97 0.54 0.77 -1.16 0.00 0.00 179.01 180.74 2zrr h SER 36 N 0.92 0.99 -0.21 1.42 0.02 -1.88 0.13 113.55 114.95 2zrr h SER 36 Ca 0.18 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2zrr h SER 36 Cb 0.47 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2zrr h SER 36 CO 0.02 0.73 -0.08 0.25 -1.14 0.00 0.00 176.83 176.61 2zrr h LEU 37 N 1.15 0.43 -1.41 5.07 5.85 -1.79 -1.99 115.31 122.61 2zrr h LEU 37 Ca 0.31 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2zrr h LEU 37 Cb -0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2zrr h LEU 37 CO -0.06 0.73 0.19 0.03 -0.34 0.00 0.00 178.44 178.99 2zrr h ARG 38 N 0.12 0.59 0.62 1.25 3.08 -1.10 0.16 114.38 119.10 2zrr h ARG 38 Ca 0.05 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2zrr h ARG 38 Cb 0.56 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.50 2zrr h ARG 38 CO 0.03 0.47 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.88 2zrr h LYS 39 N 0.59 -0.80 -0.15 0.04 1.63 -0.47 0.52 116.57 117.93 2zrr h LYS 39 Ca 0.15 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2zrr h LYS 39 Cb 0.09 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 2zrr h LYS 39 CO -0.02 -0.53 -0.06 0.28 -3.45 0.00 0.00 179.45 175.68 2zrr h VAL 40 N -0.86 0.80 -0.36 2.00 2.07 -0.99 0.57 116.25 119.48 2zrr h VAL 40 Ca -0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2zrr h VAL 40 Cb 0.65 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2zrr h VAL 40 CO 0.14 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.76 2zrr h LEU 41 N -0.04 0.09 -0.68 2.57 3.38 -0.88 0.82 115.31 120.57 2zrr h LEU 41 Ca 0.08 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2zrr h LEU 41 Cb 0.15 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2zrr h LEU 41 CO -0.17 0.09 0.20 1.23 0.09 0.00 0.00 178.44 179.88 2zrr h GLY 42 N 0.24 1.15 0.95 0.83 0.00 0.64 -1.75 103.07 105.13 2zrr h GLY 42 Ca 0.16 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2zrr h GLY 42 CO -0.19 0.65 0.18 0.23 0.00 0.00 0.00 176.54 177.41 2zrr h SER 43 N 1.01 0.57 1.03 0.19 0.87 0.81 -2.89 113.55 115.13 2zrr h SER 43 Ca 0.22 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2zrr h SER 43 Cb 0.32 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2zrr h SER 43 CO -0.00 0.56 -0.28 1.88 -0.53 0.00 0.00 176.83 178.46 2zrr h TYR 44 N 0.54 0.00 -0.45 2.24 -1.99 -0.71 -2.21 116.97 114.39 2zrr h TYR 44 Ca 0.14 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 2zrr h TYR 44 Cb 0.16 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 2zrr h TYR 44 CO -0.00 0.28 0.13 1.25 -0.00 0.00 0.00 178.16 179.82 2zrr h LEU 45 N 0.00 0.66 -0.59 3.88 5.85 -1.12 0.46 115.31 124.45 2zrr h LEU 45 Ca -0.00 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 2zrr h LEU 45 Cb 0.87 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2zrr h LEU 45 CO 0.04 0.70 -0.42 0.07 -0.34 0.00 0.00 178.44 178.48 2zrr h LYS 46 N 0.59 0.64 -0.80 1.25 2.10 -1.34 -2.58 116.57 116.41 2zrr h LYS 46 Ca 0.14 -0.34 -0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2zrr h LYS 46 Cb 0.28 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.59 2zrr h LYS 46 CO -0.00 0.94 0.49 0.87 -2.00 0.00 0.00 179.45 179.76 2zrr h LYS 47 N 0.52 1.08 -0.63 0.07 1.57 -1.07 0.75 116.57 118.86 2zrr h LYS 47 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2zrr h LYS 47 Cb 0.95 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2zrr h LYS 47 CO 0.09 0.75 0.24 -0.07 -0.57 0.00 0.00 179.45 179.89 2zrr h LEU 48 N 1.10 0.87 0.08 2.94 3.38 -0.65 -0.50 115.31 122.54 2zrr h LEU 48 Ca 0.29 -0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.83 2zrr h LEU 48 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2zrr h LEU 48 CO -0.06 0.81 -1.16 0.11 0.09 0.00 0.00 178.44 178.23 2zrr h LYS 49 N 0.88 0.18 0.00 1.13 1.57 -1.07 -3.40 116.57 115.86 2zrr h LYS 49 Ca 0.21 -0.31 -0.36 0.00 -1.87 0.00 0.00 60.65 58.31 2zrr h LYS 49 Cb 0.21 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 2zrr h LYS 49 CO -0.02 1.15 -2.38 0.09 -0.57 0.00 0.00 179.45 177.72 2zrr n ASN 50 N -3.48 1.09 -4.76 0.86 3.02 0.22 -5.00 115.26 107.20 2zrr n ASN 50 Ca -0.06 -0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.03 2zrr n ASN 50 Cb 0.99 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 40.45 2zrr n ASN 50 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2zrr s GLU 51 N -2.48 4.45 0.00 3.52 2.02 -0.20 -4.93 118.70 121.08 2zrr s GLU 51 Ca -0.21 1.92 0.08 0.00 0.02 0.00 0.00 54.97 56.78 2zrr s GLU 51 Cb 0.07 -3.05 0.50 0.00 0.10 0.00 0.00 34.13 31.75 2zrr s GLU 51 CO 0.69 0.00 1.32 0.41 0.02 0.00 0.00 175.26 177.70 2zrr n GLY 52 N 0.96 -1.00 3.77 -1.39 0.00 -1.26 -4.87 105.19 101.41 2zrr n GLY 52 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2zrr n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zrr s THR 53 N -2.00 2.88 0.53 2.61 -4.23 -1.26 -5.05 115.64 109.12 2zrr s THR 53 Ca 0.13 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 2zrr s THR 53 Cb 0.06 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 2zrr s THR 53 CO 0.10 -0.37 0.94 -0.94 -0.54 0.00 0.00 174.62 173.80 2zrr s SER 54 N -3.75 6.43 0.12 3.99 1.04 -1.26 -4.96 113.70 115.32 2zrr s SER 54 Ca 0.62 1.37 -0.19 0.00 0.48 0.00 0.00 55.95 58.22 2zrr s SER 54 Cb -0.16 -2.43 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2zrr s SER 54 CO 0.55 -0.65 1.78 0.58 0.98 0.00 0.00 173.24 176.48 2zrr h VAL 55 N 0.45 1.05 -0.82 5.02 2.07 -1.98 -2.60 116.25 119.44 2zrr h VAL 55 Ca -0.46 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2zrr h VAL 55 Cb 1.19 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2zrr h VAL 55 CO 0.62 0.05 0.54 -0.65 0.02 0.00 0.00 177.57 178.15 2zrr h PRO 56 N 0.29 0.91 -0.08 1.57 0.11 -1.94 -1.09 132.00 131.78 2zrr h PRO 56 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2zrr h PRO 56 Cb -0.03 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.87 2zrr h PRO 56 CO -0.02 0.60 0.01 1.25 -0.21 0.00 0.00 178.00 179.63 2zrr h LEU 57 N 0.94 0.14 -0.34 2.35 5.85 -1.91 -1.14 115.31 121.20 2zrr h LEU 57 Ca 0.34 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2zrr h LEU 57 Cb 0.16 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2zrr h LEU 57 CO -0.12 0.39 0.14 0.58 -0.34 0.00 0.00 178.44 179.10 2zrr h VAL 58 N -0.12 1.18 -0.08 1.05 2.07 -1.27 -2.72 116.25 116.36 2zrr h VAL 58 Ca 0.02 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 2zrr h VAL 58 Cb 0.32 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2zrr h VAL 58 CO 0.00 0.19 -0.50 -0.07 0.02 0.00 0.00 177.57 177.21 2zrr h LEU 59 N 0.41 0.22 -0.80 2.57 3.38 -1.24 -1.23 115.31 118.61 2zrr h LEU 59 Ca 0.11 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2zrr h LEU 59 Cb 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2zrr h LEU 59 CO -0.01 0.69 -0.06 0.28 0.09 0.00 0.00 178.44 179.42 2zrr h SER 60 N 0.16 0.82 0.31 -0.43 0.02 -1.13 0.31 113.55 113.61 2zrr h SER 60 Ca 0.01 -0.23 -0.16 0.00 -0.84 0.00 0.00 61.79 60.56 2zrr h SER 60 Cb 0.95 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2zrr h SER 60 CO 0.08 0.92 -0.65 0.03 -1.14 0.00 0.00 176.83 176.07 2zrr h ARG 61 N 0.76 0.31 -0.15 3.45 3.08 -1.29 -3.13 114.38 117.41 2zrr h ARG 61 Ca 0.13 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 2zrr h ARG 61 Cb 0.55 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.65 2zrr h ARG 61 CO 0.03 0.85 -0.61 1.98 -1.07 0.00 0.00 179.97 181.15 2zrr h MET 62 N 0.23 0.67 -0.86 0.04 4.05 -0.85 -2.86 114.93 115.34 2zrr h MET 62 Ca -0.01 -0.53 0.18 0.00 -0.28 0.00 0.00 59.70 59.06 2zrr h MET 62 Cb 1.18 0.10 -0.11 0.00 -0.80 0.00 0.00 31.60 31.97 2zrr h MET 62 CO 0.11 1.15 0.39 -0.97 0.23 0.00 0.00 176.91 177.81 2zrr h ASN 63 N 0.35 0.37 -0.06 1.39 -1.24 -0.37 0.95 115.58 116.98 2zrr h ASN 63 Ca -0.04 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2zrr h ASN 63 Cb 1.25 0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.38 2zrr h ASN 63 CO 0.13 0.08 0.01 0.40 -1.29 0.00 0.00 177.43 176.76 2zrr h ILE 64 N 0.47 1.21 -0.38 2.57 1.08 -1.49 -3.18 117.51 117.78 2zrr h ILE 64 Ca 0.50 -0.63 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2zrr h ILE 64 Cb 0.86 1.52 -0.06 0.00 -3.07 0.00 0.00 36.82 36.07 2zrr h ILE 64 CO -0.46 0.17 0.04 -0.33 -0.69 0.00 0.00 178.15 176.89 2zrr h GLU 65 N -0.14 0.15 0.00 2.37 5.08 -0.69 -0.97 114.58 120.38 2zrr h GLU 65 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2zrr h GLU 65 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2zrr h GLU 65 CO 0.00 0.10 0.00 -0.89 -1.00 0.00 0.00 179.01 177.22 2zrr n ILE 66 N -5.14 1.19 0.09 3.13 5.41 0.06 -2.97 119.36 121.12 2zrr n ILE 66 Ca 0.02 0.63 -0.04 0.00 1.00 0.00 0.00 62.75 64.36 2zrr n ILE 66 Cb 0.19 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 2zrr n ILE 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2zrr h SER 67 N 0.00 -0.22 0.06 4.38 0.02 -1.15 -2.24 113.55 114.39 2zrr h SER 67 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2zrr h SER 67 Cb 0.04 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2zrr h SER 67 CO 0.00 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.29 2zrr n ASN 68 N -3.64 0.00 -0.11 3.07 5.03 -1.17 -2.46 115.26 115.99 2zrr n ASN 68 Ca -0.03 -0.30 -0.15 0.00 0.87 0.00 0.00 54.58 54.97 2zrr n ASN 68 Cb 0.10 -0.07 -0.11 0.00 -1.02 0.00 0.00 39.78 38.68 2zrr n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2zrr n ALA 69 N -1.07 1.51 0.05 5.41 0.00 -1.16 -3.54 120.51 121.72 2zrr n ALA 69 Ca 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 53.44 52.56 2zrr n ALA 69 Cb 0.06 -0.04 0.38 0.00 0.00 0.00 0.00 19.45 19.85 2zrr n ALA 69 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2zrr h ILE 70 N 0.00 1.16 -0.19 0.00 6.09 -1.07 -2.34 117.51 121.15 2zrr h ILE 70 Ca -0.51 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 2zrr h ILE 70 Cb 1.82 0.93 0.00 0.00 0.47 0.00 0.00 36.82 40.04 2zrr h ILE 70 CO -0.07 0.21 0.00 2.29 -3.07 0.00 0.00 178.15 177.51 2zrr n LYS 71 N -4.34 2.25 0.00 2.19 2.85 -1.14 -0.32 118.16 119.65 2zrr n LYS 71 Ca 0.01 -2.02 0.00 0.00 -1.05 0.00 0.00 58.31 55.25 2zrr n LYS 71 Cb 0.20 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 2zrr n LYS 71 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2zrr n LYS 72 N 1.32 0.00 -0.00 -1.58 4.81 -0.88 -3.31 118.16 118.51 2zrr n LYS 72 Ca 0.16 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 2zrr n LYS 72 Cb 0.57 -0.87 0.75 0.00 0.02 0.00 0.00 35.03 35.49 2zrr n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2zrr n ASP 73 N -0.40 0.16 -1.86 3.14 8.00 -1.26 -4.87 116.55 119.45 2zrr n ASP 73 Ca 0.00 -1.22 -0.07 0.00 0.71 0.00 0.00 54.79 54.21 2zrr n ASP 73 Cb 0.00 -0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2zrr n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zrr n GLY 74 N 0.94 0.20 3.67 0.44 0.00 -1.21 -4.91 105.19 104.32 2zrr n GLY 74 Ca 0.19 -0.28 -0.55 0.00 0.00 0.00 0.00 46.02 45.39 2zrr n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2zrr n VAL 75 N -2.49 0.21 -3.30 1.61 0.31 0.56 -4.89 118.33 110.34 2zrr n VAL 75 Ca -0.08 -0.04 -0.46 0.00 -0.01 0.00 0.00 64.34 63.74 2zrr n VAL 75 Cb 0.55 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 2zrr n VAL 75 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2zrr s SER 76 N 2.47 6.55 0.12 4.52 0.15 -1.26 -4.85 113.70 121.39 2zrr s SER 76 Ca 0.93 -2.33 -0.27 0.00 0.70 0.00 0.00 55.95 54.98 2zrr s SER 76 Cb -1.00 -2.22 -0.07 0.00 -1.71 0.00 0.00 66.02 61.02 2zrr s SER 76 CO 0.58 -0.70 0.84 -0.76 1.20 0.00 0.00 173.24 174.40 2zrr s LEU 77 N 0.81 4.53 0.71 3.45 1.43 -1.26 -5.06 118.68 123.29 2zrr s LEU 77 Ca 0.13 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 2zrr s LEU 77 Cb -0.17 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2zrr s LEU 77 CO -0.04 0.07 1.07 0.54 0.23 0.00 0.00 176.35 178.21 2zrr s ASN 78 N -0.47 5.33 0.24 2.29 2.20 -1.26 -4.75 114.94 118.51 2zrr s ASN 78 Ca 0.40 1.43 -0.13 0.00 -0.94 0.00 0.00 52.86 53.62 2zrr s ASN 78 Cb -0.23 -2.30 0.30 0.00 -2.00 0.00 0.00 41.25 37.03 2zrr s ASN 78 CO 0.27 -1.45 1.58 -0.08 -2.94 0.00 0.00 177.10 174.48 2zrr h GLU 79 N -0.72 -0.03 -0.57 3.55 4.81 -2.00 -0.10 114.58 119.53 2zrr h GLU 79 Ca -0.45 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2zrr h GLU 79 Cb 1.23 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2zrr h GLU 79 CO 0.59 -0.02 0.38 -0.91 -0.73 0.00 0.00 179.01 178.32 2zrr h ASN 80 N -0.03 0.46 0.13 1.04 -0.26 -1.99 -1.92 115.58 113.02 2zrr h ASN 80 Ca 0.37 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.87 2zrr h ASN 80 Cb 0.61 -0.10 0.03 0.00 -1.06 0.00 0.00 38.32 37.80 2zrr h ASN 80 CO -0.88 0.30 -1.04 1.56 -1.06 0.00 0.00 177.43 176.32 2zrr h GLN 81 N 0.53 0.47 -0.17 0.81 4.20 -1.38 -2.62 115.11 116.95 2zrr h GLN 81 Ca 0.25 -0.68 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 2zrr h GLN 81 Cb 0.30 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2zrr h GLN 81 CO -0.07 1.30 -0.16 0.66 -0.67 0.00 0.00 178.83 179.89 2zrr h SER 82 N -0.02 0.26 0.22 1.46 4.64 -1.27 -0.55 113.55 118.29 2zrr h SER 82 Ca -0.17 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 2zrr h SER 82 Cb 1.77 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 2zrr h SER 82 CO 0.20 0.45 -0.55 0.11 -0.87 0.00 0.00 176.83 176.17 2zrr h LYS 83 N 0.26 0.35 -0.47 4.77 1.57 -1.40 0.77 116.57 122.41 2zrr h LYS 83 Ca 0.05 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 2zrr h LYS 83 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2zrr h LYS 83 CO 0.03 0.81 -0.21 0.87 -0.57 0.00 0.00 179.45 180.37 2zrr h LYS 84 N 0.27 0.97 0.10 3.15 1.79 -0.96 -0.32 116.57 121.57 2zrr h LYS 84 Ca 0.00 -0.41 -0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2zrr h LYS 84 Cb 1.05 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2zrr h LYS 84 CO 0.09 1.08 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.42 2zrr h LEU 85 N 0.84 -0.11 -1.27 2.94 3.38 -0.82 -1.66 115.31 118.61 2zrr h LEU 85 Ca 0.11 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2zrr h LEU 85 Cb 0.78 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2zrr h LEU 85 CO 0.06 0.18 0.52 0.11 0.09 0.00 0.00 178.44 179.40 2zrr h LYS 86 N -0.40 0.90 0.00 1.13 1.57 -0.81 0.27 116.57 119.23 2zrr h LYS 86 Ca -0.01 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2zrr h LYS 86 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2zrr h LYS 86 CO 0.02 0.60 -0.24 1.49 -0.57 0.00 0.00 179.45 180.75 2zrr h GLU 87 N 0.93 0.00 0.08 3.15 4.81 -0.91 0.07 114.58 122.71 2zrr h GLU 87 Ca 0.33 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2zrr h GLU 87 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2zrr h GLU 87 CO -0.10 0.24 -0.04 1.25 -0.73 0.00 0.00 179.01 179.63 2zrr h LEU 88 N 0.00 -0.09 -1.41 1.64 5.85 0.47 -3.22 115.31 118.54 2zrr h LEU 88 Ca -0.00 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.24 2zrr h LEU 88 Cb 0.54 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2zrr h LEU 88 CO 0.03 0.51 0.41 0.24 -0.34 0.00 0.00 178.44 179.29 2zrr h MET 89 N -0.76 0.77 0.00 1.25 2.86 -1.00 -1.33 114.93 116.72 2zrr h MET 89 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2zrr h MET 89 Cb 0.59 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2zrr h MET 89 CO 0.02 0.51 0.02 0.66 1.06 0.00 0.00 176.91 179.17 2zrr h SER 90 N 0.79 0.00 -0.22 1.22 4.64 -1.00 -0.47 113.55 118.51 2zrr h SER 90 Ca 0.24 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2zrr h SER 90 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2zrr h SER 90 CO -0.06 0.00 -0.29 0.40 -0.87 0.00 0.00 176.83 176.01 2zrr h ILE 91 N 0.00 1.28 0.00 0.95 2.04 -1.25 -3.51 117.51 117.02 2zrr h ILE 91 Ca 0.00 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2zrr h ILE 91 Cb 0.03 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2zrr h ILE 91 CO 0.00 0.47 0.00 -1.54 0.00 0.00 0.00 178.15 177.08