#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zbb n GLY 2 N 0.00 0.20 3.28 0.46 0.00 -1.26 -5.14 105.19 102.72 1zbb n GLY 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1zbb n GLY 2 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1zbb s ARG 3 N 0.00 1.46 0.00 1.61 1.70 -1.26 -5.00 118.95 117.45 1zbb s ARG 3 Ca 0.00 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 1zbb s ARG 3 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 34.95 32.77 1zbb s ARG 3 CO 0.00 0.41 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 1zbb n GLY 4 N 1.74 -1.48 0.12 3.88 0.00 -1.26 -5.11 105.19 103.09 1zbb n GLY 4 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1zbb n GLY 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1zbb n LYS 5 N 0.00 0.00 -1.45 1.61 4.81 -1.26 -4.97 118.16 116.90 1zbb n LYS 5 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.61 1zbb n LYS 5 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1zbb n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zbb n GLY 11 N -1.25 -3.29 0.00 3.14 0.00 -1.26 -5.27 105.19 97.27 1zbb n GLY 11 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1zbb n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zbb n LYS 12 N -4.36 0.00 0.00 1.61 4.76 -1.26 -5.00 118.16 113.92 1zbb n LYS 12 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1zbb n LYS 12 Cb 0.68 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 1zbb n LYS 12 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1zbb n LYS 16 N -0.01 0.00 -3.78 1.97 4.81 -1.26 -5.13 118.16 114.77 1zbb n LYS 16 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1zbb n LYS 16 Cb 0.00 -1.36 -0.12 0.00 0.02 0.00 0.00 35.03 33.58 1zbb n LYS 16 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1zbb s ARG 17 N 0.00 3.77 0.00 1.64 3.00 -1.26 -5.08 118.95 121.02 1zbb s ARG 17 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 55.73 55.31 1zbb s ARG 17 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 34.95 31.58 1zbb s ARG 17 CO 0.00 -0.10 0.00 1.58 0.00 0.00 0.00 175.30 176.78 1zbb n HIS 18 N 4.69 0.00 -0.82 -0.53 -0.00 -1.26 -5.05 115.22 112.25 1zbb n HIS 18 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1zbb n HIS 18 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 1zbb n HIS 18 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1zbb n ARG 19 N 0.00 0.00 -1.90 1.57 1.74 -1.26 -5.10 116.66 111.71 1zbb n ARG 19 Ca 0.00 0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 57.05 1zbb n ARG 19 Cb 0.00 -0.82 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 1zbb n ARG 19 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1zbb s LYS 20 N -1.00 3.42 0.20 5.56 2.20 -1.26 -4.98 119.74 123.88 1zbb s LYS 20 Ca 0.00 0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 55.96 1zbb s LYS 20 Cb 0.00 -2.08 -0.10 0.00 -1.51 0.00 0.00 37.83 34.14 1zbb s LYS 20 CO 0.00 -0.67 1.51 0.08 -0.36 0.00 0.00 175.35 175.91 1zbb s VAL 21 N -3.21 2.67 -0.27 4.02 1.01 -1.26 -4.97 120.40 118.39 1zbb s VAL 21 Ca 0.55 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 1zbb s VAL 21 Cb -0.11 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1zbb s VAL 21 CO 0.53 0.06 0.33 -0.76 0.00 0.00 0.00 175.10 175.26 1zbb s LEU 22 N 0.51 4.03 0.01 3.92 1.43 -1.26 -5.06 118.68 122.27 1zbb s LEU 22 Ca 0.65 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.80 1zbb s LEU 22 Cb -0.43 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.47 1zbb s LEU 22 CO 0.36 -0.15 0.40 0.00 0.23 0.00 0.00 176.35 177.19 1zbb s ARG 23 N 1.99 0.83 -2.02 1.70 1.70 -1.26 -4.94 118.95 116.95 1zbb s ARG 23 Ca 0.13 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1zbb s ARG 23 Cb -0.16 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1zbb s ARG 23 CO 0.10 -0.26 0.00 -3.47 -1.08 0.00 0.00 175.30 170.59 1zbb n ASP 24 N 0.85 -5.73 0.03 -2.89 2.03 -1.26 -4.88 116.55 104.69 1zbb n ASP 24 Ca -0.20 0.26 0.08 0.00 0.52 0.00 0.00 54.79 55.45 1zbb n ASP 24 Cb 0.58 -4.91 0.35 0.00 -0.72 0.00 0.00 41.12 36.42 1zbb n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1zbb n ASN 25 N -1.69 0.15 0.27 1.67 3.02 -1.26 -1.96 115.26 115.46 1zbb n ASN 25 Ca -0.23 0.54 0.14 0.00 -0.03 0.00 0.00 54.58 54.99 1zbb n ASN 25 Cb 0.69 -0.57 0.79 0.00 -0.61 0.00 0.00 39.78 40.08 1zbb n ASN 25 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1zbb h ILE 26 N 0.00 0.54 0.00 2.41 6.09 -1.97 0.11 117.51 124.68 1zbb h ILE 26 Ca 0.00 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1zbb h ILE 26 Cb 0.28 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1zbb h ILE 26 CO 0.00 0.08 0.00 0.00 -3.07 0.00 0.00 178.15 175.16 1zbb n GLN 27 N -3.69 0.02 0.16 2.19 1.13 -0.83 -1.51 117.38 114.86 1zbb n GLN 27 Ca -0.02 0.20 0.13 0.00 -1.94 0.00 0.00 57.00 55.37 1zbb n GLN 27 Cb 0.19 -1.54 0.50 0.00 0.11 0.00 0.00 30.24 29.50 1zbb n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1zbb h GLY 28 N 3.19 0.00 -7.34 1.08 0.00 -0.96 -3.33 103.07 95.71 1zbb h GLY 28 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1zbb h GLY 28 CO 0.00 0.00 1.03 -0.42 0.00 0.00 0.00 176.54 177.15 1zbb s ILE 29 N -3.34 4.46 0.80 2.60 -1.09 -0.57 -5.00 121.20 119.06 1zbb s ILE 29 Ca 0.05 -1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.09 1zbb s ILE 29 Cb 0.10 -4.86 0.07 0.00 -1.58 0.00 0.00 42.46 36.18 1zbb s ILE 29 CO 0.48 -1.64 1.09 0.42 -1.23 0.00 0.00 174.94 174.06 1zbb s THR 30 N 3.46 3.09 0.16 2.92 -4.23 -1.25 -4.85 115.64 114.94 1zbb s THR 30 Ca 0.36 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.07 1zbb s THR 30 Cb -0.04 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1zbb s THR 30 CO -0.09 -0.46 1.76 0.50 -0.54 0.00 0.00 174.62 175.79 1zbb h LYS 31 N -1.10 0.31 -0.99 3.99 3.64 -1.94 -0.86 116.57 119.63 1zbb h LYS 31 Ca -0.47 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1zbb h LYS 31 Cb 1.27 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1zbb h LYS 31 CO 0.59 0.21 0.65 -1.35 -2.27 0.00 0.00 179.45 177.27 1zbb h PRO 32 N 0.32 1.27 -0.26 1.90 0.11 -1.98 0.10 132.00 133.46 1zbb h PRO 32 Ca 0.17 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1zbb h PRO 32 Cb 0.13 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1zbb h PRO 32 CO -0.16 0.84 0.05 0.00 -0.21 0.00 0.00 178.00 178.51 1zbb h ALA 33 N 1.38 0.34 -0.67 -0.75 0.00 -1.78 -0.52 119.26 117.25 1zbb h ALA 33 Ca 0.37 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1zbb h ALA 33 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1zbb h ALA 33 CO -0.09 0.02 0.19 0.82 0.00 0.00 0.00 179.25 180.18 1zbb h ILE 34 N 0.24 1.25 -0.57 0.00 2.04 -0.85 -0.87 117.51 118.75 1zbb h ILE 34 Ca 0.08 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1zbb h ILE 34 Cb 0.32 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1zbb h ILE 34 CO 0.00 0.34 0.36 -0.09 0.00 0.00 0.00 178.15 178.77 1zbb h ARG 35 N 0.99 0.76 -0.49 2.37 2.43 -0.62 -0.43 114.38 119.40 1zbb h ARG 35 Ca 0.22 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1zbb h ARG 35 Cb 0.31 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1zbb h ARG 35 CO -0.00 0.52 0.27 0.00 -1.51 0.00 0.00 179.97 179.25 1zbb h ARG 36 N 0.77 0.67 -0.86 0.20 3.08 -0.43 0.26 114.38 118.08 1zbb h ARG 36 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1zbb h ARG 36 Cb -0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1zbb h ARG 36 CO -0.04 0.52 0.54 -0.07 -1.07 0.00 0.00 179.97 179.84 1zbb h LEU 37 N 0.65 1.02 -0.73 3.04 3.38 -0.93 -1.50 115.31 120.23 1zbb h LEU 37 Ca 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1zbb h LEU 37 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1zbb h LEU 37 CO -0.03 0.77 0.19 0.00 0.09 0.00 0.00 178.44 179.45 1zbb h ALA 38 N 1.29 0.96 -0.25 1.53 0.00 -0.65 -0.87 119.26 121.27 1zbb h ALA 38 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1zbb h ALA 38 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1zbb h ALA 38 CO -0.06 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.01 1zbb h ARG 39 N 1.10 0.35 0.00 0.00 2.47 -0.53 -0.22 114.38 117.55 1zbb h ARG 39 Ca 0.23 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 1zbb h ARG 39 Cb 0.36 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1zbb h ARG 39 CO 0.00 0.29 -0.09 -0.09 0.56 0.00 0.00 179.97 180.64 1zbb h ARG 40 N 0.31 0.00 0.00 0.04 2.43 -1.08 0.26 114.38 116.34 1zbb h ARG 40 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1zbb h ARG 40 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1zbb h ARG 40 CO -0.02 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.94 1zbb n GLY 41 N -1.27 -0.92 1.89 2.80 0.00 -0.35 -4.90 105.19 102.43 1zbb n GLY 41 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1zbb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zbb n GLY 42 N 0.74 0.45 3.72 -0.02 0.00 0.91 -5.03 105.19 105.96 1zbb n GLY 42 Ca 0.17 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1zbb n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zbb s VAL 43 N -2.00 5.06 -0.11 1.61 1.01 -0.21 -4.98 120.40 120.79 1zbb s VAL 43 Ca 0.00 1.37 0.19 0.00 0.00 0.00 0.00 61.98 63.55 1zbb s VAL 43 Cb 0.00 -4.01 -0.28 0.00 0.00 0.00 0.00 36.38 32.09 1zbb s VAL 43 CO 0.00 0.26 0.27 1.17 0.00 0.00 0.00 175.10 176.81 1zbb n LYS 44 N 3.74 0.73 -3.83 2.72 4.81 -1.26 -4.20 118.16 120.87 1zbb n LYS 44 Ca -0.02 -0.10 -0.12 0.00 -0.87 0.00 0.00 58.31 57.19 1zbb n LYS 44 Cb 0.51 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.93 1zbb n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1zbb s ARG 45 N -2.98 0.13 -0.05 1.64 3.52 -1.26 -5.13 118.95 114.82 1zbb s ARG 45 Ca -0.09 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1zbb s ARG 45 Cb 0.10 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 1zbb s ARG 45 CO 0.84 -0.02 -0.05 0.42 -0.81 0.00 0.00 175.30 175.68 1zbb s ILE 46 N 0.10 0.57 0.50 4.11 1.01 -1.26 -5.13 121.20 121.10 1zbb s ILE 46 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 1zbb s ILE 46 Cb -0.01 -0.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.79 1zbb s ILE 46 CO -0.00 0.24 1.06 -0.55 0.00 0.00 0.00 174.94 175.69 1zbb s SER 47 N 0.96 6.16 0.55 3.58 0.15 -1.26 -4.93 113.70 118.91 1zbb s SER 47 Ca -0.10 2.00 0.25 0.00 0.70 0.00 0.00 55.95 58.80 1zbb s SER 47 Cb -0.14 -2.57 1.47 0.00 -1.71 0.00 0.00 66.02 63.07 1zbb s SER 47 CO -0.00 -0.91 2.05 1.23 1.20 0.00 0.00 173.24 176.81 1zbb h GLY 48 N 1.46 0.00 1.54 9.45 0.00 -2.06 -1.47 103.07 111.99 1zbb h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1zbb h GLY 48 CO 0.58 0.00 -0.03 1.04 0.00 0.00 0.00 176.54 178.13 1zbb n LEU 49 N -4.18 0.09 -0.01 3.11 4.77 -1.26 -3.84 117.00 115.68 1zbb n LEU 49 Ca 0.05 0.28 0.02 0.00 -0.03 0.00 0.00 56.01 56.32 1zbb n LEU 49 Cb 0.43 -0.31 0.35 0.00 -2.33 0.00 0.00 43.42 41.55 1zbb n LEU 49 CO 0.33 0.02 1.04 0.40 -1.33 0.00 0.00 177.39 177.84 1zbb h ILE 50 N 0.08 1.16 -0.29 -0.08 1.08 -1.64 -2.91 117.51 114.92 1zbb h ILE 50 Ca 0.00 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 1zbb h ILE 50 Cb 0.35 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1zbb h ILE 50 CO 0.00 0.20 0.07 1.88 -0.69 0.00 0.00 178.15 179.61 1zbb h TYR 51 N 0.54 0.49 -0.09 1.37 -1.99 -1.78 0.78 116.97 116.30 1zbb h TYR 51 Ca 0.13 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.67 1zbb h TYR 51 Cb 0.16 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1zbb h TYR 51 CO 0.01 0.53 -0.52 1.49 -0.00 0.00 0.00 178.16 179.67 1zbb h GLU 52 N 0.31 0.24 -0.54 4.88 4.57 -1.82 -1.78 114.58 120.44 1zbb h GLU 52 Ca 0.09 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1zbb h GLU 52 Cb 0.29 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1zbb h GLU 52 CO 0.00 0.71 0.20 1.49 -1.18 0.00 0.00 179.01 180.23 1zbb h GLU 53 N 0.19 0.81 -0.66 1.92 4.57 -1.26 -1.74 114.58 118.41 1zbb h GLU 53 Ca 0.00 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1zbb h GLU 53 Cb 0.99 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 1zbb h GLU 53 CO 0.08 0.72 0.08 1.15 -1.18 0.00 0.00 179.01 179.86 1zbb h THR 54 N 0.73 1.26 -0.59 0.32 2.02 -0.62 -1.29 112.91 114.75 1zbb h THR 54 Ca 0.18 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1zbb h THR 54 Cb 0.22 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1zbb h THR 54 CO -0.01 0.40 0.39 0.03 0.37 0.00 0.00 175.52 176.70 1zbb h ARG 55 N 1.02 0.78 -0.51 6.66 3.08 -1.15 0.15 114.38 124.40 1zbb h ARG 55 Ca 0.20 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1zbb h ARG 55 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1zbb h ARG 55 CO 0.02 0.51 0.32 0.78 -1.07 0.00 0.00 179.97 180.53 1zbb h GLY 56 N 0.80 0.74 1.04 0.04 0.00 -0.85 0.10 103.07 104.93 1zbb h GLY 56 Ca 0.22 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1zbb h GLY 56 CO -0.05 0.29 0.03 -2.08 0.00 0.00 0.00 176.54 174.73 1zbb h VAL 57 N 0.69 1.26 -0.48 4.60 2.07 -0.95 -2.28 116.25 121.15 1zbb h VAL 57 Ca 0.18 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1zbb h VAL 57 Cb -0.03 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1zbb h VAL 57 CO -0.04 0.39 -0.03 0.25 0.02 0.00 0.00 177.57 178.16 1zbb h LEU 58 N 0.87 0.80 -0.53 2.57 5.85 -0.69 -0.97 115.31 123.21 1zbb h LEU 58 Ca 0.17 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1zbb h LEU 58 Cb 0.50 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1zbb h LEU 58 CO 0.02 0.88 0.32 0.50 -0.34 0.00 0.00 178.44 179.82 1zbb h LYS 59 N 0.76 0.72 -0.39 1.25 3.64 -0.76 0.16 116.57 121.96 1zbb h LYS 59 Ca 0.14 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1zbb h LYS 59 Cb 0.50 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1zbb h LYS 59 CO 0.03 0.52 0.18 0.28 -2.27 0.00 0.00 179.45 178.19 1zbb h VAL 60 N 0.71 1.18 -0.05 2.00 2.07 -1.20 0.91 116.25 121.87 1zbb h VAL 60 Ca 0.19 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1zbb h VAL 60 Cb -0.01 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1zbb h VAL 60 CO -0.04 0.19 -0.09 0.15 0.02 0.00 0.00 177.57 177.81 1zbb h PHE 61 N 0.48 -0.22 -0.59 1.57 3.57 -0.78 -1.79 116.94 119.18 1zbb h PHE 61 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1zbb h PHE 61 Cb 0.14 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1zbb h PHE 61 CO -0.01 -0.14 0.24 -0.07 -2.23 0.00 0.00 178.31 176.10 1zbb h LEU 62 N -0.13 0.81 -0.76 0.59 3.38 -0.53 -2.44 115.31 116.23 1zbb h LEU 62 Ca 0.05 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1zbb h LEU 62 Cb 0.20 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1zbb h LEU 62 CO -0.13 0.76 0.44 -0.33 0.09 0.00 0.00 178.44 179.26 1zbb h GLU 63 N 0.82 0.75 -0.23 1.13 5.08 -0.62 0.25 114.58 121.76 1zbb h GLU 63 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1zbb h GLU 63 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1zbb h GLU 63 CO -0.02 0.50 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.57 1zbb h ASN 64 N 0.77 0.41 -0.15 1.42 2.35 -1.12 -0.01 115.58 119.25 1zbb h ASN 64 Ca 0.35 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1zbb h ASN 64 Cb 0.25 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1zbb h ASN 64 CO -0.21 0.64 -0.12 0.58 -1.65 0.00 0.00 177.43 176.67 1zbb h VAL 65 N 0.18 1.33 -0.82 2.81 2.07 -1.23 -2.91 116.25 117.68 1zbb h VAL 65 Ca 0.06 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1zbb h VAL 65 Cb 0.43 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1zbb h VAL 65 CO 0.01 0.36 0.47 0.40 0.02 0.00 0.00 177.57 178.84 1zbb h ILE 66 N -0.01 1.24 -0.15 4.57 2.04 -1.00 0.48 117.51 124.68 1zbb h ILE 66 Ca 0.03 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1zbb h ILE 66 Cb 0.63 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1zbb h ILE 66 CO 0.03 0.26 -0.14 -0.09 0.00 0.00 0.00 178.15 178.21 1zbb h ARG 67 N 1.13 -0.15 -0.37 2.37 2.43 -0.97 0.11 114.38 118.94 1zbb h ARG 67 Ca 0.29 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1zbb h ARG 67 Cb -0.00 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1zbb h ARG 67 CO -0.05 -0.10 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.69 1zbb h ASP 68 N -0.16 0.68 -0.60 -3.80 3.32 -1.29 -1.96 116.42 112.62 1zbb h ASP 68 Ca 0.10 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1zbb h ASP 68 Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1zbb h ASP 68 CO -0.25 0.86 0.18 0.00 -1.72 0.00 0.00 179.24 178.31 1zbb h ALA 69 N 1.20 0.78 -0.06 3.45 0.00 -0.26 -1.59 119.26 122.77 1zbb h ALA 69 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1zbb h ALA 69 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1zbb h ALA 69 CO 0.05 0.46 -0.41 0.28 0.00 0.00 0.00 179.25 179.62 1zbb h VAL 70 N 0.85 1.31 -0.76 0.00 2.07 -0.71 -0.46 116.25 118.54 1zbb h VAL 70 Ca 0.19 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1zbb h VAL 70 Cb 0.30 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1zbb h VAL 70 CO -0.00 0.43 0.28 0.74 0.02 0.00 0.00 177.57 179.04 1zbb h THR 71 N 0.12 1.26 -0.43 2.57 2.02 -0.90 0.77 112.91 118.32 1zbb h THR 71 Ca 0.01 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 1zbb h THR 71 Cb 0.78 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1zbb h THR 71 CO 0.06 0.34 -0.01 1.88 0.37 0.00 0.00 175.52 178.16 1zbb h TYR 72 N 1.12 0.83 -0.13 3.16 -1.99 -0.73 -1.45 116.97 117.78 1zbb h TYR 72 Ca 0.25 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1zbb h TYR 72 Cb 0.25 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1zbb h TYR 72 CO 0.02 0.83 -0.04 1.15 -0.00 0.00 0.00 178.16 180.12 1zbb h THR 73 N 0.60 0.85 -0.62 -2.88 2.02 -0.62 -2.15 112.91 110.10 1zbb h THR 73 Ca 0.12 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 1zbb h THR 73 Cb 0.50 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1zbb h THR 73 CO 0.02 0.00 0.09 -0.33 0.37 0.00 0.00 175.52 175.67 1zbb h GLU 74 N -0.02 1.02 -0.18 6.66 5.08 -0.84 -1.55 114.58 124.75 1zbb h GLU 74 Ca 0.06 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1zbb h GLU 74 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1zbb h GLU 74 CO -0.14 0.94 -0.00 1.25 -1.00 0.00 0.00 179.01 180.06 1zbb h HIS 75 N 0.95 0.26 -0.13 4.33 2.76 -1.02 -0.43 115.15 121.88 1zbb h HIS 75 Ca 0.19 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1zbb h HIS 75 Cb 0.43 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1zbb h HIS 75 CO 0.03 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.94 1zbb n ALA 76 N -2.50 2.54 -2.45 5.26 0.00 -0.83 -4.91 120.51 117.61 1zbb n ALA 76 Ca -0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 1zbb n ALA 76 Cb 0.18 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 1zbb n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zbb n LYS 77 N 0.01 -1.99 -3.83 0.00 5.02 -0.17 -4.99 118.16 112.21 1zbb n LYS 77 Ca 0.15 0.92 -0.21 0.00 -2.02 0.00 0.00 58.31 57.15 1zbb n LYS 77 Cb 0.24 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.71 1zbb n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1zbb s ARG 78 N -5.06 3.05 0.00 1.97 0.52 -0.61 -5.01 118.95 113.81 1zbb s ARG 78 Ca 0.04 -1.03 0.09 0.00 -0.52 0.00 0.00 55.73 54.31 1zbb s ARG 78 Cb -0.02 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1zbb s ARG 78 CO 0.05 0.24 0.67 1.63 0.02 0.00 0.00 175.30 177.92 1zbb n LYS 79 N -1.41 1.38 -4.42 3.54 5.02 -1.26 -4.37 118.16 116.64 1zbb n LYS 79 Ca -0.05 -0.77 -0.33 0.00 -2.02 0.00 0.00 58.31 55.14 1zbb n LYS 79 Cb 0.58 -1.10 -0.15 0.00 -0.02 0.00 0.00 35.03 34.34 1zbb n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zbb s THR 80 N -1.05 2.67 -0.12 -0.18 2.01 -1.26 -5.09 115.64 112.62 1zbb s THR 80 Ca 0.09 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1zbb s THR 80 Cb 0.07 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1zbb s THR 80 CO 0.18 0.51 1.15 -0.69 -0.69 0.00 0.00 174.62 175.07 1zbb s VAL 81 N 0.93 4.44 0.43 3.82 1.01 -1.26 -4.94 120.40 124.83 1zbb s VAL 81 Ca -0.03 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.70 1zbb s VAL 81 Cb -0.15 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1zbb s VAL 81 CO -0.02 -0.06 0.64 0.42 0.00 0.00 0.00 175.10 176.09 1zbb s THR 82 N 2.60 4.04 0.32 3.92 -4.23 -1.26 -4.97 115.64 116.06 1zbb s THR 82 Ca 0.52 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1zbb s THR 82 Cb -0.21 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.33 1zbb s THR 82 CO 0.17 -0.32 1.89 0.00 -0.54 0.00 0.00 174.62 175.82 1zbb h ALA 83 N 0.47 1.35 -0.69 3.99 0.00 -1.95 -2.17 119.26 120.27 1zbb h ALA 83 Ca -0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1zbb h ALA 83 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1zbb h ALA 83 CO 0.57 0.47 0.28 0.52 0.00 0.00 0.00 179.25 181.09 1zbb h MET 84 N 0.69 1.02 -0.95 0.00 2.86 -1.94 0.78 114.93 117.39 1zbb h MET 84 Ca 0.16 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1zbb h MET 84 Cb 0.22 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1zbb h MET 84 CO -0.01 0.82 0.62 -0.44 1.06 0.00 0.00 176.91 178.96 1zbb h ASP 85 N 1.00 1.03 -0.14 1.22 3.32 -1.74 -0.61 116.42 120.50 1zbb h ASP 85 Ca 0.23 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1zbb h ASP 85 Cb 0.18 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1zbb h ASP 85 CO -0.02 0.71 -0.05 0.58 -1.72 0.00 0.00 179.24 178.74 1zbb h VAL 86 N 1.20 1.30 -0.72 -1.35 2.07 -1.12 -1.96 116.25 115.66 1zbb h VAL 86 Ca 0.38 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1zbb h VAL 86 Cb -0.00 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1zbb h VAL 86 CO -0.12 0.30 0.44 0.58 0.02 0.00 0.00 177.57 178.79 1zbb h VAL 87 N -0.04 1.06 -0.39 2.57 2.07 -0.53 0.20 116.25 121.19 1zbb h VAL 87 Ca 0.03 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1zbb h VAL 87 Cb 0.49 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1zbb h VAL 87 CO 0.02 0.15 -0.29 1.88 0.02 0.00 0.00 177.57 179.35 1zbb h TYR 88 N 0.84 0.96 -0.55 1.57 0.99 -1.13 -0.26 116.97 119.38 1zbb h TYR 88 Ca 0.30 -0.25 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 1zbb h TYR 88 Cb 0.09 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.58 1zbb h TYR 88 CO -0.05 1.02 0.13 0.00 -0.00 0.00 0.00 178.16 179.26 1zbb h ALA 89 N 0.96 0.73 -0.48 3.88 0.00 -0.81 -0.97 119.26 122.57 1zbb h ALA 89 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1zbb h ALA 89 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1zbb h ALA 89 CO 0.07 0.43 0.15 -0.07 0.00 0.00 0.00 179.25 179.83 1zbb h LEU 90 N 0.79 0.69 -0.62 0.00 3.38 -0.31 -2.80 115.31 116.44 1zbb h LEU 90 Ca 0.17 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1zbb h LEU 90 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1zbb h LEU 90 CO 0.00 0.72 0.41 0.50 0.09 0.00 0.00 178.44 180.16 1zbb h LYS 91 N 0.63 0.81 0.00 1.13 3.64 -0.84 0.14 116.57 122.09 1zbb h LYS 91 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1zbb h LYS 91 Cb 0.27 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1zbb h LYS 91 CO -0.00 0.54 0.00 0.07 -2.27 0.00 0.00 179.45 177.78 1zbb h ARG 92 N 0.84 0.00 -0.67 1.90 0.11 -1.00 -0.34 114.38 115.20 1zbb h ARG 92 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1zbb h ARG 92 Cb -0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.99 1zbb h ARG 92 CO -0.05 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.06 1zbb n GLN 93 N -2.30 3.68 -2.29 0.08 6.02 -0.58 -4.92 117.38 117.06 1zbb n GLN 93 Ca 0.02 -2.90 -0.13 0.00 -0.01 0.00 0.00 57.00 53.98 1zbb n GLN 93 Cb 0.24 -1.88 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 1zbb n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1zbb n GLY 94 N 1.23 -0.16 2.51 1.08 0.00 -0.14 -4.93 105.19 104.78 1zbb n GLY 94 Ca 0.26 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1zbb n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zbb n ARG 95 N -2.29 2.84 -1.58 1.61 5.12 0.39 -5.01 116.66 117.74 1zbb n ARG 95 Ca -0.15 -4.16 -0.51 0.00 -1.93 0.00 0.00 57.85 51.10 1zbb n ARG 95 Cb 0.61 -1.99 -0.05 0.00 -1.16 0.00 0.00 32.46 29.87 1zbb n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1zbb n THR 96 N -0.39 0.33 -5.22 0.55 -1.04 -1.25 -4.39 114.28 102.87 1zbb n THR 96 Ca 0.31 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.05 61.92 1zbb n THR 96 Cb 0.72 -0.76 -0.17 0.00 -1.82 0.00 0.00 70.33 68.30 1zbb n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1zbb s LEU 97 N 0.55 2.09 0.08 -4.42 2.96 -1.26 -4.99 118.68 113.69 1zbb s LEU 97 Ca 0.81 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1zbb s LEU 97 Cb -0.94 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1zbb s LEU 97 CO 0.49 0.16 0.05 -0.31 -1.32 0.00 0.00 176.35 175.43 1zbb s TYR 98 N 0.34 3.12 0.00 5.38 2.02 -1.26 -4.61 117.35 122.35 1zbb s TYR 98 Ca -0.19 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1zbb s TYR 98 Cb -0.18 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1zbb s TYR 98 CO 0.09 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.99 1zbb n GLY 99 N 0.49 1.28 0.16 0.71 0.00 -1.26 -4.98 105.19 101.59 1zbb n GLY 99 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1zbb n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1zbb n PHE 100 N -0.52 0.00 0.00 1.61 3.01 -1.26 -5.10 117.46 115.20 1zbb n PHE 100 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 57.45 57.47 1zbb n PHE 100 Cb 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1zbb n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1zbb n GLY 101 N -1.31 1.35 3.31 1.37 0.00 -1.26 -4.56 105.19 104.08 1zbb n GLY 101 Ca 0.15 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1zbb n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93