#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zw2 s LEU 5 N 0.00 2.77 0.02 4.03 2.96 -1.26 -0.42 118.68 126.77 2zw2 s LEU 5 Ca 0.00 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2zw2 s LEU 5 Cb 0.00 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2zw2 s LEU 5 CO 0.00 0.17 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.67 2zw2 s TYR 6 N 0.30 1.99 -0.36 5.38 2.02 0.12 -1.51 117.35 125.29 2zw2 s TYR 6 Ca -0.09 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2zw2 s TYR 6 Cb -0.16 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 2zw2 s TYR 6 CO 0.05 0.06 0.26 0.50 -1.57 0.00 0.00 175.55 174.85 2zw2 s ARG 7 N -0.97 3.33 -0.19 -0.62 3.52 -0.06 0.23 118.95 124.18 2zw2 s ARG 7 Ca 0.09 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2zw2 s ARG 7 Cb -0.09 -3.85 -0.01 0.00 -1.56 0.00 0.00 34.95 29.44 2zw2 s ARG 7 CO 0.01 -0.54 -0.08 0.08 -0.81 0.00 0.00 175.30 173.96 2zw2 s VAL 8 N 1.71 3.15 -0.14 7.11 1.01 0.29 -1.74 120.40 131.79 2zw2 s VAL 8 Ca 0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 2zw2 s VAL 8 Cb -0.18 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2zw2 s VAL 8 CO 0.10 0.46 0.14 -1.61 0.00 0.00 0.00 175.10 174.20 2zw2 s GLU 9 N 1.14 3.68 -0.20 2.72 2.02 0.16 -0.11 118.70 128.11 2zw2 s GLU 9 Ca 0.01 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 54.86 2zw2 s GLU 9 Cb -0.14 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.86 2zw2 s GLU 9 CO -0.02 0.63 -0.10 -1.17 0.02 0.00 0.00 175.26 174.61 2zw2 s LEU 10 N -0.58 2.30 -0.21 1.80 2.96 0.94 -1.46 118.68 124.43 2zw2 s LEU 10 Ca 0.13 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2zw2 s LEU 10 Cb -0.12 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 2zw2 s LEU 10 CO 0.02 -0.15 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.25 2zw2 s ILE 11 N 1.39 3.70 -0.21 6.68 1.01 -0.19 -1.41 121.20 132.18 2zw2 s ILE 11 Ca -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 2zw2 s ILE 11 Cb -0.16 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2zw2 s ILE 11 CO -0.08 0.43 -0.07 -0.63 0.00 0.00 0.00 174.94 174.59 2zw2 s ILE 12 N 1.17 3.21 0.26 2.92 1.01 -0.26 -1.26 121.20 128.26 2zw2 s ILE 12 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2zw2 s ILE 12 Cb -0.15 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2zw2 s ILE 12 CO 0.00 0.45 0.09 0.42 0.00 0.00 0.00 174.94 175.90 2zw2 s THR 13 N 1.31 0.59 0.39 2.92 -4.23 -0.64 -0.94 115.64 115.04 2zw2 s THR 13 Ca 0.04 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.33 2zw2 s THR 13 Cb -0.14 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.96 2zw2 s THR 13 CO -0.03 -0.01 0.92 0.20 -0.54 0.00 0.00 174.62 175.16 2zw2 s ASN 14 N -3.32 7.01 0.71 3.99 0.02 -1.26 -0.51 114.94 121.58 2zw2 s ASN 14 Ca 0.38 1.67 -0.15 0.00 -1.02 0.00 0.00 52.86 53.73 2zw2 s ASN 14 Cb 0.08 -2.53 0.03 0.00 0.02 0.00 0.00 41.25 38.85 2zw2 s ASN 14 CO 0.14 -0.27 1.18 -0.54 0.02 0.00 0.00 177.10 177.63 2zw2 s LYS 15 N -2.89 2.31 0.38 -0.60 1.02 -0.14 -4.67 119.74 115.15 2zw2 s LYS 15 Ca 0.58 1.67 0.15 0.00 0.02 0.00 0.00 55.97 58.40 2zw2 s LYS 15 Cb -0.11 -1.86 1.02 0.00 -0.52 0.00 0.00 37.83 36.35 2zw2 s LYS 15 CO 0.16 -1.68 1.78 0.93 -0.92 0.00 0.00 175.35 175.62 2zw2 h GLU 16 N -0.19 0.46 -0.44 1.68 5.08 -1.95 -1.55 114.58 117.66 2zw2 h GLU 16 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2zw2 h GLU 16 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2zw2 h GLU 16 CO 0.51 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 179.23 2zw2 n GLY 17 N -1.45 1.06 3.35 -3.84 0.00 -1.26 -4.85 105.19 98.20 2zw2 n GLY 17 Ca 0.24 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2zw2 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zw2 s VAL 18 N -1.45 3.02 0.23 1.61 1.01 -0.59 -5.09 120.40 119.15 2zw2 s VAL 18 Ca 0.29 -0.66 -0.32 0.00 0.00 0.00 0.00 61.98 61.29 2zw2 s VAL 18 Cb 0.15 -2.28 -0.13 0.00 0.00 0.00 0.00 36.38 34.12 2zw2 s VAL 18 CO 0.19 0.51 1.52 -1.14 0.00 0.00 0.00 175.10 176.19 2zw2 n ARG 19 N 3.75 2.27 -3.75 2.72 0.63 -1.26 -4.66 116.66 116.36 2zw2 n ARG 19 Ca -0.18 0.81 -0.36 0.00 -0.92 0.00 0.00 57.85 57.20 2zw2 n ARG 19 Cb 0.52 -2.54 -0.11 0.00 0.45 0.00 0.00 32.46 30.78 2zw2 n ARG 19 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2zw2 s ASP 20 N 0.58 5.21 0.28 6.15 2.15 -1.26 -4.98 116.67 124.80 2zw2 s ASP 20 Ca 0.71 -2.49 -0.02 0.00 0.43 0.00 0.00 52.55 51.18 2zw2 s ASP 20 Cb -0.61 -1.84 0.43 0.00 -0.30 0.00 0.00 42.92 40.60 2zw2 s ASP 20 CO 0.45 -0.44 1.91 -0.65 -0.17 0.00 0.00 175.17 176.27 2zw2 h PRO 21 N 7.47 1.12 0.30 4.34 0.11 -1.98 -0.91 132.00 142.44 2zw2 h PRO 21 Ca -0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2zw2 h PRO 21 Cb 0.99 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2zw2 h PRO 21 CO 0.71 0.74 -0.14 1.49 -0.21 0.00 0.00 178.00 180.58 2zw2 h GLU 22 N 1.15 -0.38 -0.93 1.05 4.81 -1.95 -0.86 114.58 117.46 2zw2 h GLU 22 Ca 0.39 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.66 2zw2 h GLU 22 Cb 0.08 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2zw2 h GLU 22 CO -0.13 -0.12 0.61 0.78 -0.73 0.00 0.00 179.01 179.43 2zw2 h GLY 23 N -0.62 1.33 0.99 1.92 0.00 -1.78 0.57 103.07 105.49 2zw2 h GLY 23 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2zw2 h GLY 23 CO 0.07 0.45 0.15 -2.09 0.00 0.00 0.00 176.54 175.11 2zw2 h GLU 24 N 1.23 0.30 -0.35 4.80 4.81 -1.10 -1.04 114.58 123.23 2zw2 h GLU 24 Ca 0.35 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 2zw2 h GLU 24 Cb -0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2zw2 h GLU 24 CO -0.09 0.21 -0.17 1.15 -0.73 0.00 0.00 179.01 179.39 2zw2 h THR 25 N 0.30 1.29 -0.50 0.32 2.02 -0.76 -1.63 112.91 113.95 2zw2 h THR 25 Ca 0.08 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 2zw2 h THR 25 Cb -0.02 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2zw2 h THR 25 CO -0.02 0.42 0.26 0.40 0.37 0.00 0.00 175.52 176.95 2zw2 h ILE 26 N 0.52 1.18 -0.48 3.11 2.04 -0.83 -1.30 117.51 121.75 2zw2 h ILE 26 Ca 0.08 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2zw2 h ILE 26 Cb 0.70 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2zw2 h ILE 26 CO 0.05 0.20 0.23 -0.61 0.00 0.00 0.00 178.15 178.02 2zw2 h GLN 27 N 0.66 0.68 -0.11 2.37 5.75 -1.11 0.52 115.11 123.87 2zw2 h GLN 27 Ca 0.17 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2zw2 h GLN 27 Cb 0.08 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 2zw2 h GLN 27 CO -0.02 0.57 -0.03 -0.09 -2.65 0.00 0.00 178.83 176.61 2zw2 h ARG 28 N 0.62 0.20 0.00 1.69 2.43 -1.06 0.11 114.38 118.37 2zw2 h ARG 28 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2zw2 h ARG 28 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2zw2 h ARG 28 CO -0.02 0.51 -1.52 0.66 -1.51 0.00 0.00 179.97 178.09 2zw2 n TYR 29 N -4.76 0.18 0.03 2.20 4.01 -0.51 -4.56 117.16 113.75 2zw2 n TYR 29 Ca -0.06 0.05 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 2zw2 n TYR 29 Cb 0.24 -0.47 -0.00 0.00 -0.31 0.00 0.00 39.34 38.80 2zw2 n TYR 29 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2zw2 n VAL 30 N -2.13 1.11 0.04 -0.72 0.31 -0.15 -4.71 118.33 112.07 2zw2 n VAL 30 Ca -0.01 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.53 2zw2 n VAL 30 Cb 0.50 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.72 2zw2 n VAL 30 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2zw2 h VAL 31 N -0.07 1.12 -0.63 2.52 2.07 -1.03 -2.48 116.25 117.75 2zw2 h VAL 31 Ca -0.01 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.09 2zw2 h VAL 31 Cb 0.20 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2zw2 h VAL 31 CO -0.00 0.14 0.42 0.77 0.02 0.00 0.00 177.57 178.92 2zw2 h SER 32 N -0.30 0.30 0.27 0.57 4.64 -1.00 -0.53 113.55 117.50 2zw2 h SER 32 Ca -0.01 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2zw2 h SER 32 Cb 0.27 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2zw2 h SER 32 CO 0.01 0.17 -0.90 0.03 -0.87 0.00 0.00 176.83 175.27 2zw2 h ARG 33 N 0.33 0.46 -0.16 4.77 3.08 -1.78 -3.34 114.38 117.72 2zw2 h ARG 33 Ca 0.30 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 2zw2 h ARG 33 Cb 0.72 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2zw2 h ARG 33 CO -0.07 1.11 -0.18 0.35 -1.07 0.00 0.00 179.97 180.10 2zw2 h PHE 34 N 0.27 0.49 -1.97 3.04 3.57 -0.67 -3.46 116.94 118.21 2zw2 h PHE 34 Ca -0.07 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.30 2zw2 h PHE 34 Cb 1.53 -0.10 -0.21 0.00 2.79 0.00 0.00 35.95 39.96 2zw2 h PHE 34 CO 0.06 0.80 0.03 0.45 -2.23 0.00 0.00 178.31 177.42 2zw2 s SER 35 N -6.21 -0.94 0.00 0.41 0.15 -0.56 -5.01 113.70 101.54 2zw2 s SER 35 Ca -0.14 1.49 0.16 0.00 0.70 0.00 0.00 55.95 58.16 2zw2 s SER 35 Cb 0.06 1.44 0.98 0.00 -1.71 0.00 0.00 66.02 66.79 2zw2 s SER 35 CO 0.77 -0.23 1.62 -0.90 1.20 0.00 0.00 173.24 175.69 2zw2 n ASP 36 N 4.37 0.00 0.05 5.45 5.68 -1.26 -2.68 116.55 128.15 2zw2 n ASP 36 Ca -0.19 -1.46 0.12 0.00 -0.50 0.00 0.00 54.79 52.76 2zw2 n ASP 36 Cb 0.58 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.74 2zw2 n ASP 36 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2zw2 n LYS 37 N -0.76 0.24 -3.40 0.11 5.02 -1.26 -4.60 118.16 113.51 2zw2 n LYS 37 Ca 0.12 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 56.03 2zw2 n LYS 37 Cb 0.06 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.34 2zw2 n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2zw2 s ILE 38 N -3.14 5.20 -0.98 -0.18 1.01 -1.09 -4.94 121.20 117.08 2zw2 s ILE 38 Ca 0.07 -1.05 0.24 0.00 0.00 0.00 0.00 60.65 59.91 2zw2 s ILE 38 Cb 0.14 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 2zw2 s ILE 38 CO 0.72 -0.56 1.26 2.30 0.00 0.00 0.00 174.94 178.67 2zw2 n ILE 39 N 5.19 0.01 -3.57 2.92 -5.35 -1.26 -4.75 119.36 112.56 2zw2 n ILE 39 Ca -0.12 -0.02 -0.16 0.00 -0.27 0.00 0.00 62.75 62.18 2zw2 n ILE 39 Cb 0.44 0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.71 2zw2 n ILE 39 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2zw2 s GLU 40 N -3.01 0.94 -0.06 6.28 2.12 -1.26 -5.13 118.70 118.57 2zw2 s GLU 40 Ca 0.10 0.56 0.02 0.00 0.36 0.00 0.00 54.97 56.00 2zw2 s GLU 40 Cb 0.17 0.45 0.02 0.00 0.26 0.00 0.00 34.13 35.02 2zw2 s GLU 40 CO 0.75 -0.23 -0.09 0.99 -0.54 0.00 0.00 175.26 176.14 2zw2 s THR 41 N -0.52 0.89 -0.05 -1.70 2.01 -1.26 -5.08 115.64 109.93 2zw2 s THR 41 Ca -0.06 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.66 2zw2 s THR 41 Cb -0.02 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2zw2 s THR 41 CO 0.06 0.30 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.95 2zw2 s ARG 42 N 0.81 2.16 0.15 4.92 1.81 -1.26 -4.30 118.95 123.23 2zw2 s ARG 42 Ca -0.12 -0.75 0.08 0.00 -1.72 0.00 0.00 55.73 53.22 2zw2 s ARG 42 Cb -0.15 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 2zw2 s ARG 42 CO 0.02 0.30 -0.09 0.00 -0.68 0.00 0.00 175.30 174.85 2zw2 s ALA 43 N -0.04 2.97 0.14 2.13 0.00 -1.26 -4.90 121.76 120.81 2zw2 s ALA 43 Ca -0.04 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 2zw2 s ALA 43 Cb -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.19 2zw2 s ALA 43 CO 0.03 0.54 0.32 0.41 0.00 0.00 0.00 175.76 177.06 2zw2 n GLY 44 N 0.30 1.53 3.65 0.00 0.00 -1.26 -4.43 105.19 104.97 2zw2 n GLY 44 Ca -0.12 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 2zw2 n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2zw2 s LYS 45 N -2.03 2.84 -0.16 1.61 2.20 -0.12 -4.96 119.74 119.13 2zw2 s LYS 45 Ca 0.06 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2zw2 s LYS 45 Cb -0.02 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2zw2 s LYS 45 CO 0.04 0.67 -0.18 -0.47 -0.36 0.00 0.00 175.35 175.05 2zw2 s TYR 46 N -0.91 2.75 -0.04 4.03 5.04 -1.26 -1.10 117.35 125.85 2zw2 s TYR 46 Ca 0.15 -1.25 0.03 0.00 -2.44 0.00 0.00 57.07 53.56 2zw2 s TYR 46 Cb -0.11 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.32 2zw2 s TYR 46 CO 0.04 -0.59 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.02 2zw2 s LEU 47 N 0.93 1.80 -0.07 6.97 1.43 -0.50 -5.01 118.68 124.23 2zw2 s LEU 47 Ca -0.04 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2zw2 s LEU 47 Cb -0.15 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.28 2zw2 s LEU 47 CO -0.03 0.09 -0.16 0.54 0.23 0.00 0.00 176.35 177.01 2zw2 s VAL 48 N 0.27 1.45 0.18 -1.59 0.11 -1.26 -0.04 120.40 119.51 2zw2 s VAL 48 Ca -0.07 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 58.41 2zw2 s VAL 48 Cb -0.12 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 2zw2 s VAL 48 CO 0.02 0.42 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.68 2zw2 s PHE 49 N 0.47 2.47 -0.22 1.54 0.08 0.84 -4.96 117.98 118.21 2zw2 s PHE 49 Ca -0.14 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 2zw2 s PHE 49 Cb -0.16 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2zw2 s PHE 49 CO 0.05 0.49 0.01 1.03 -0.10 0.00 0.00 175.22 176.70 2zw2 s ARG 50 N -2.65 3.58 -0.08 0.44 0.52 -1.26 -0.55 118.95 118.95 2zw2 s ARG 50 Ca 0.22 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2zw2 s ARG 50 Cb -0.09 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2zw2 s ARG 50 CO 0.12 -0.08 -0.13 0.08 0.02 0.00 0.00 175.30 175.31 2zw2 s VAL 51 N 1.25 1.28 -0.10 3.52 1.01 0.13 -4.96 120.40 122.54 2zw2 s VAL 51 Ca 0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 2zw2 s VAL 51 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2zw2 s VAL 51 CO 0.01 0.39 0.84 0.20 0.00 0.00 0.00 175.10 176.54 2zw2 s ASN 52 N 0.78 7.07 0.29 3.32 0.01 -1.26 0.10 114.94 125.25 2zw2 s ASN 52 Ca -0.12 1.31 -0.13 0.00 -0.71 0.00 0.00 52.86 53.21 2zw2 s ASN 52 Cb -0.16 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2zw2 s ASN 52 CO 0.02 -0.29 0.56 -0.55 -1.51 0.00 0.00 177.10 175.34 2zw2 s SER 53 N 1.01 0.04 0.01 -1.22 0.15 0.43 -4.94 113.70 109.18 2zw2 s SER 53 Ca 0.42 -0.98 0.22 0.00 0.70 0.00 0.00 55.95 56.30 2zw2 s SER 53 Cb -0.18 0.66 -0.17 0.00 -1.71 0.00 0.00 66.02 64.62 2zw2 s SER 53 CO 0.18 -1.28 0.81 -1.20 1.20 0.00 0.00 173.24 172.95 2zw2 n SER 54 N -0.69 0.57 -3.70 5.45 7.64 -1.26 -2.07 113.62 119.56 2zw2 n SER 54 Ca -0.03 -0.44 -0.08 0.00 1.01 0.00 0.00 58.87 59.34 2zw2 n SER 54 Cb 0.61 1.24 -0.02 0.00 -1.01 0.00 0.00 64.21 65.03 2zw2 n SER 54 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2zw2 s SER 55 N -3.76 -0.33 0.27 6.43 1.04 -1.26 -4.92 113.70 111.18 2zw2 s SER 55 Ca 0.02 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 2zw2 s SER 55 Cb 0.15 0.62 0.39 0.00 0.10 0.00 0.00 66.02 67.28 2zw2 s SER 55 CO 0.86 -1.11 1.77 -0.61 0.98 0.00 0.00 173.24 175.13 2zw2 h GLN 56 N 2.00 0.70 -0.26 4.02 4.15 -2.00 -2.25 115.11 121.47 2zw2 h GLN 56 Ca -0.24 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 2zw2 h GLN 56 Cb 1.26 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2zw2 h GLN 56 CO 0.28 0.75 0.10 0.37 -1.93 0.00 0.00 178.83 178.39 2zw2 h GLN 57 N 0.65 0.39 -0.93 1.69 4.15 -1.99 -1.45 115.11 117.63 2zw2 h GLN 57 Ca 0.12 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 2zw2 h GLN 57 Cb 0.47 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 2zw2 h GLN 57 CO 0.02 0.43 0.57 1.49 -1.93 0.00 0.00 178.83 179.42 2zw2 h GLU 58 N 0.26 1.25 -0.05 1.69 4.81 -1.89 -0.71 114.58 119.94 2zw2 h GLU 58 Ca 0.09 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2zw2 h GLU 58 Cb 0.19 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2zw2 h GLU 58 CO -0.01 0.87 0.01 0.00 -0.73 0.00 0.00 179.01 179.15 2zw2 h ALA 59 N 1.31 0.07 -0.26 2.92 0.00 -1.21 -1.78 119.26 120.31 2zw2 h ALA 59 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2zw2 h ALA 59 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2zw2 h ALA 59 CO -0.06 -0.29 0.10 1.15 0.00 0.00 0.00 179.25 180.15 2zw2 h THR 60 N -0.17 1.17 -0.30 0.00 2.02 -1.12 -2.26 112.91 112.26 2zw2 h THR 60 Ca 0.01 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 2zw2 h THR 60 Cb 0.29 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2zw2 h THR 60 CO 0.00 0.18 -0.07 -0.33 0.37 0.00 0.00 175.52 175.67 2zw2 h GLU 61 N 0.27 0.47 -0.50 6.66 5.08 -1.16 -1.72 114.58 123.68 2zw2 h GLU 61 Ca 0.09 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2zw2 h GLU 61 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2zw2 h GLU 61 CO -0.01 0.55 0.21 1.25 -1.00 0.00 0.00 179.01 180.01 2zw2 h LEU 62 N 0.45 0.69 -0.63 1.33 5.85 -1.07 -0.84 115.31 121.08 2zw2 h LEU 62 Ca 0.09 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 2zw2 h LEU 62 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2zw2 h LEU 62 CO 0.02 0.66 -0.24 0.58 -0.34 0.00 0.00 178.44 179.12 2zw2 h VAL 63 N 0.67 1.27 -0.71 1.05 2.07 -1.03 -0.94 116.25 118.64 2zw2 h VAL 63 Ca 0.17 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 2zw2 h VAL 63 Cb 0.19 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2zw2 h VAL 63 CO -0.01 0.46 0.20 0.50 0.02 0.00 0.00 177.57 178.74 2zw2 h LYS 64 N 0.71 1.11 -0.77 1.57 3.64 -1.08 0.16 116.57 121.90 2zw2 h LYS 64 Ca 0.09 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2zw2 h LYS 64 Cb 0.77 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2zw2 h LYS 64 CO 0.06 0.95 0.29 -0.22 -2.27 0.00 0.00 179.45 178.26 2zw2 h LYS 65 N 1.06 1.16 0.30 1.90 3.64 -0.87 -0.03 116.57 123.74 2zw2 h LYS 65 Ca 0.23 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2zw2 h LYS 65 Cb 0.32 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2zw2 h LYS 65 CO -0.00 0.96 -0.16 1.25 -2.27 0.00 0.00 179.45 179.22 2zw2 h LEU 66 N 1.12 -0.39 -1.05 5.20 5.85 -0.54 0.11 115.31 125.62 2zw2 h LEU 66 Ca 0.25 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.11 2zw2 h LEU 66 Cb 0.24 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 2zw2 h LEU 66 CO -0.02 -0.27 0.63 0.00 -0.34 0.00 0.00 178.44 178.44 2zw2 h ALA 67 N 0.26 1.55 0.16 1.25 0.00 -0.62 0.18 119.26 122.04 2zw2 h ALA 67 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2zw2 h ALA 67 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2zw2 h ALA 67 CO 0.06 0.21 -0.08 -0.44 0.00 0.00 0.00 179.25 179.00 2zw2 h ASP 68 N 0.97 -0.18 -0.99 0.00 3.32 -0.61 -1.79 116.42 117.15 2zw2 h ASP 68 Ca 0.48 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.59 2zw2 h ASP 68 Cb 0.48 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2zw2 h ASP 68 CO -0.25 0.00 0.64 -0.33 -1.72 0.00 0.00 179.24 177.59 2zw2 h GLU 69 N -0.48 1.18 -0.38 3.56 5.08 -0.77 -2.46 114.58 120.31 2zw2 h GLU 69 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2zw2 h GLU 69 Cb 0.16 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2zw2 h GLU 69 CO 0.04 0.78 0.00 -1.33 -1.00 0.00 0.00 179.01 177.50 2zw2 n MET 70 N -4.46 1.91 -3.71 2.33 2.81 0.05 -4.95 117.12 111.09 2zw2 n MET 70 Ca 0.14 -1.41 -0.22 0.00 -1.81 0.00 0.00 57.70 54.40 2zw2 n MET 70 Cb 0.13 -1.32 0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2zw2 n MET 70 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2zw2 n ARG 71 N 0.65 -4.54 0.00 0.03 1.74 -0.93 -4.87 116.66 108.74 2zw2 n ARG 71 Ca 0.14 0.60 0.12 0.00 -0.77 0.00 0.00 57.85 57.93 2zw2 n ARG 71 Cb 0.34 -5.09 0.52 0.00 -1.02 0.00 0.00 32.46 27.21 2zw2 n ARG 71 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2zw2 n LEU 72 N -4.25 0.02 -3.66 0.55 4.77 -0.68 -4.82 117.00 108.92 2zw2 n LEU 72 Ca -0.29 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2zw2 n LEU 72 Cb 0.67 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2zw2 n LEU 72 CO 0.69 -0.09 0.36 -0.72 -1.33 0.00 0.00 177.39 176.29 2zw2 s TYR 73 N -3.00 -0.27 -0.33 -1.77 -0.85 -1.25 -5.08 117.35 104.79 2zw2 s TYR 73 Ca 0.12 -0.05 -0.05 0.00 -0.52 0.00 0.00 57.07 56.57 2zw2 s TYR 73 Cb 0.16 0.51 0.05 0.00 0.38 0.00 0.00 41.96 43.06 2zw2 s TYR 73 CO 0.44 -0.96 0.08 1.21 -1.52 0.00 0.00 175.55 174.81 2zw2 s ASN 74 N -2.84 5.18 0.62 -0.18 3.84 -1.26 -4.93 114.94 115.36 2zw2 s ASN 74 Ca 0.07 -1.27 0.26 0.00 0.21 0.00 0.00 52.86 52.12 2zw2 s ASN 74 Cb -0.02 -1.82 1.26 0.00 -0.55 0.00 0.00 41.25 40.12 2zw2 s ASN 74 CO -0.04 -0.33 1.70 -0.65 -2.79 0.00 0.00 177.10 174.99 2zw2 h PRO 75 N 8.14 0.00 0.00 0.43 0.11 -1.98 0.29 132.00 138.99 2zw2 h PRO 75 Ca -0.22 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 2zw2 h PRO 75 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2zw2 h PRO 75 CO 0.59 0.00 -0.68 0.82 -0.21 0.00 0.00 178.00 178.52 2zw2 h ILE 76 N 0.00 0.25 0.00 4.15 2.04 -2.03 -3.39 117.51 118.53 2zw2 h ILE 76 Ca 0.19 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2zw2 h ILE 76 Cb 1.45 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2zw2 h ILE 76 CO -0.00 0.14 -1.00 1.33 0.00 0.00 0.00 178.15 178.63 2zw2 n VAL 77 N -2.94 0.00 -4.32 1.67 0.24 -0.39 -4.98 118.33 107.60 2zw2 n VAL 77 Ca -0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2zw2 n VAL 77 Cb 0.63 0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.93 2zw2 n VAL 77 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2zw2 s HIS 78 N -1.99 2.60 0.14 6.34 3.76 0.90 -0.97 115.29 126.07 2zw2 s HIS 78 Ca 0.00 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 54.75 2zw2 s HIS 78 Cb 0.00 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 2zw2 s HIS 78 CO 0.00 0.60 -0.18 -1.59 -0.85 0.00 0.00 174.74 172.71 2zw2 s LYS 79 N -3.32 1.18 0.19 1.40 -2.85 0.34 -4.43 119.74 112.24 2zw2 s LYS 79 Ca 0.29 -1.30 0.07 0.00 -1.00 0.00 0.00 55.97 54.03 2zw2 s LYS 79 Cb -0.07 -1.28 -0.05 0.00 -2.06 0.00 0.00 37.83 34.37 2zw2 s LYS 79 CO 0.17 0.27 -0.14 0.96 0.10 0.00 0.00 175.35 176.71 2zw2 s ILE 80 N -1.76 1.64 -0.03 3.79 -4.36 -1.26 -1.63 121.20 117.59 2zw2 s ILE 80 Ca 0.11 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2zw2 s ILE 80 Cb -0.07 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.70 2zw2 s ILE 80 CO 0.05 -0.58 -0.02 -0.70 0.24 0.00 0.00 174.94 173.94 2zw2 s GLU 81 N -3.50 0.50 -0.13 0.37 2.12 -0.39 -4.99 118.70 112.69 2zw2 s GLU 81 Ca 0.20 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.55 2zw2 s GLU 81 Cb -0.01 -0.60 0.01 0.00 0.26 0.00 0.00 34.13 33.79 2zw2 s GLU 81 CO 0.06 -0.10 -0.22 0.42 -0.54 0.00 0.00 175.26 174.88 2zw2 s ILE 82 N 0.88 2.01 -0.02 -3.70 1.01 -1.26 -1.03 121.20 119.10 2zw2 s ILE 82 Ca -0.10 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.66 2zw2 s ILE 82 Cb -0.13 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2zw2 s ILE 82 CO -0.01 0.54 -0.23 -0.13 0.00 0.00 0.00 174.94 175.12 2zw2 s ARG 83 N 0.72 1.86 0.02 2.79 0.52 -0.54 -4.98 118.95 119.34 2zw2 s ARG 83 Ca -0.10 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.27 2zw2 s ARG 83 Cb -0.16 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 2zw2 s ARG 83 CO 0.01 0.48 0.04 0.00 0.02 0.00 0.00 175.30 175.84 2zw2 s ALA 84 N -0.52 -0.01 -0.16 2.13 0.00 -1.26 0.36 121.76 122.30 2zw2 s ALA 84 Ca 0.08 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 2zw2 s ALA 84 Cb -0.09 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.24 2zw2 s ALA 84 CO -0.01 -0.21 0.42 0.54 0.00 0.00 0.00 175.76 176.51 2zw2 s ASN 85 N -1.63 -0.46 0.31 0.00 4.22 -0.71 -4.99 114.94 111.69 2zw2 s ASN 85 Ca -0.13 0.86 -0.28 0.00 -2.14 0.00 0.00 52.86 51.17 2zw2 s ASN 85 Cb -0.07 0.85 -0.10 0.00 1.28 0.00 0.00 41.25 43.21 2zw2 s ASN 85 CO -0.01 -0.16 1.17 -0.60 -2.04 0.00 0.00 177.10 175.46 2zw2 s ARG 86 N 0.45 4.47 0.38 3.55 3.52 -1.26 -0.89 118.95 129.16 2zw2 s ARG 86 Ca -0.02 1.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.54 2zw2 s ARG 86 Cb -0.04 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 2zw2 s ARG 86 CO -0.02 0.02 0.08 0.96 -0.81 0.00 0.00 175.30 175.52 2zw2 s ILE 87 N -1.21 1.00 0.00 4.11 -4.36 -0.57 -4.88 121.20 115.29 2zw2 s ILE 87 Ca 0.48 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2zw2 s ILE 87 Cb -0.34 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.79 2zw2 s ILE 87 CO 0.44 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.83