#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzv s GLN 2 N 0.00 4.39 0.02 0.00 -0.21 -1.26 -0.63 119.66 121.98 1zzv s GLN 2 Ca 0.00 1.90 0.03 0.00 0.02 0.00 0.00 55.36 57.31 1zzv s GLN 2 Cb 0.00 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 1zzv s GLN 2 CO 0.00 -0.31 -0.08 0.08 -2.12 0.00 0.00 175.29 172.86 1zzv s VAL 3 N 0.96 0.61 -0.34 1.09 1.01 -0.96 -4.92 120.40 117.84 1zzv s VAL 3 Ca 0.60 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1zzv s VAL 3 Cb -0.33 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.57 1zzv s VAL 3 CO 0.30 -0.10 0.11 0.54 0.00 0.00 0.00 175.10 175.95 1zzv s ASN 4 N -0.91 4.18 -0.39 3.32 2.20 -1.26 -3.53 114.94 118.55 1zzv s ASN 4 Ca -0.03 -1.96 -0.13 0.00 -0.94 0.00 0.00 52.86 49.80 1zzv s ASN 4 Cb -0.06 -1.12 0.02 0.00 -2.00 0.00 0.00 41.25 38.09 1zzv s ASN 4 CO 0.00 -0.38 0.25 -0.63 -2.94 0.00 0.00 177.10 173.41 1zzv s ILE 5 N 1.19 4.92 0.42 0.54 -1.09 0.41 -4.98 121.20 122.61 1zzv s ILE 5 Ca 0.11 -0.77 -0.22 0.00 -2.23 0.00 0.00 60.65 57.55 1zzv s ILE 5 Cb -0.19 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.84 1zzv s ILE 5 CO -0.16 -0.28 0.97 0.00 -1.23 0.00 0.00 174.94 174.24 1zzv s ALA 6 N 1.62 3.04 0.24 9.38 0.00 -1.26 -0.88 121.76 133.89 1zzv s ALA 6 Ca 0.03 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 1zzv s ALA 6 Cb -0.19 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1zzv s ALA 6 CO 0.08 0.04 1.43 -0.35 0.00 0.00 0.00 175.76 176.97 1zzv n PRO 7 N -0.50 2.11 -2.09 0.00 -0.04 -1.24 -4.41 135.00 128.83 1zzv n PRO 7 Ca 0.07 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1zzv n PRO 7 Cb 0.53 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1zzv n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zzv n GLY 8 N 2.19 -0.83 3.77 0.55 0.00 -0.48 -4.97 105.19 105.43 1zzv n GLY 8 Ca 0.11 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1zzv n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zzv s SER 9 N -1.11 6.62 0.56 1.61 0.15 -1.26 0.54 113.70 120.81 1zzv s SER 9 Ca 0.00 2.77 0.25 0.00 0.70 0.00 0.00 55.95 59.67 1zzv s SER 9 Cb 0.00 -2.65 1.56 0.00 -1.71 0.00 0.00 66.02 63.22 1zzv s SER 9 CO 0.00 -0.65 2.14 -0.07 1.20 0.00 0.00 173.24 175.86 1zzv h LEU 10 N 3.21 0.00 -0.29 3.45 3.38 -0.77 -1.34 115.31 122.96 1zzv h LEU 10 Ca -0.49 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.54 1zzv h LEU 10 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1zzv h LEU 10 CO 0.65 0.00 -0.35 -0.78 0.09 0.00 0.00 178.44 178.05 1zzv h ASP 11 N 0.00 -1.13 -0.05 -0.43 1.82 -1.86 0.88 116.42 115.65 1zzv h ASP 11 Ca 0.06 0.18 -0.08 0.00 -0.39 0.00 0.00 57.03 56.81 1zzv h ASP 11 Cb 0.31 0.50 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1zzv h ASP 11 CO -0.00 -0.35 -0.18 0.50 -1.61 0.00 0.00 179.24 177.60 1zzv h LYS 12 N -0.34 0.42 0.72 0.28 3.64 -1.63 -1.91 116.57 117.76 1zzv h LYS 12 Ca 0.13 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1zzv h LYS 12 Cb 0.56 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1zzv h LYS 12 CO -0.47 0.59 -0.35 0.00 -2.27 0.00 0.00 179.45 176.96 1zzv h ALA 13 N 1.43 -0.97 -0.89 5.00 0.00 -0.98 -1.14 119.26 121.71 1zzv h ALA 13 Ca 0.07 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1zzv h ALA 13 Cb 0.54 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1zzv h ALA 13 CO 0.04 -0.91 0.58 -0.07 0.00 0.00 0.00 179.25 178.89 1zzv h LEU 14 N -1.25 0.90 -1.42 0.00 3.38 -0.90 -1.10 115.31 114.92 1zzv h LEU 14 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1zzv h LEU 14 Cb 0.75 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1zzv h LEU 14 CO 0.16 0.58 0.33 -1.13 0.09 0.00 0.00 178.44 178.47 1zzv h ASN 15 N 1.02 0.64 -0.06 -0.43 -1.24 -1.27 0.04 115.58 114.28 1zzv h ASN 15 Ca 0.38 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 1zzv h ASN 15 Cb 0.18 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1zzv h ASN 15 CO -0.14 0.48 0.03 -0.61 -1.29 0.00 0.00 177.43 175.91 1zzv h GLN 16 N 0.74 0.08 -0.40 6.67 -0.00 0.12 -0.41 115.11 121.91 1zzv h GLN 16 Ca 0.20 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.75 1zzv h GLN 16 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 1zzv h GLN 16 CO -0.04 0.11 -0.10 -0.92 0.00 0.00 0.00 178.83 177.88 1zzv h TYR 17 N 0.02 0.86 -0.25 3.99 5.03 -1.20 -2.40 116.97 123.02 1zzv h TYR 17 Ca 0.02 -0.19 0.06 0.00 2.58 0.00 0.00 58.73 61.20 1zzv h TYR 17 Cb 0.05 -0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.07 1zzv h TYR 17 CO -0.05 0.90 -0.13 0.00 -1.32 0.00 0.00 178.16 177.55 1zzv h ALA 18 N 0.84 0.07 0.00 1.82 0.00 -0.90 -1.48 119.26 119.62 1zzv h ALA 18 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zzv h ALA 18 Cb 0.62 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1zzv h ALA 18 CO 0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 1zzv h ALA 19 N 1.10 1.53 0.03 0.00 0.00 -0.90 0.24 119.26 121.26 1zzv h ALA 19 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1zzv h ALA 19 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1zzv h ALA 19 CO -0.32 0.08 -0.01 1.25 0.00 0.00 0.00 179.25 180.25 1zzv h HIS 20 N 0.00 -0.03 0.00 0.00 6.17 -0.75 -3.29 115.15 117.25 1zzv h HIS 20 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1zzv h HIS 20 Cb 0.14 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.08 1zzv h HIS 20 CO 0.00 0.19 -1.62 0.45 0.71 0.00 0.00 177.93 177.66 1zzv n SER 21 N -5.00 0.35 -1.66 3.26 2.88 -1.13 -5.01 113.62 107.32 1zzv n SER 21 Ca -0.08 -0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.12 1zzv n SER 21 Cb 0.14 1.58 0.03 0.00 -0.75 0.00 0.00 64.21 65.21 1zzv n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zzv n GLY 22 N 1.33 0.25 3.79 0.46 0.00 0.84 -5.07 105.19 106.79 1zzv n GLY 22 Ca -0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1zzv n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zzv s PHE 23 N -3.10 2.69 -0.45 1.61 -0.71 -1.15 -5.05 117.98 111.82 1zzv s PHE 23 Ca 0.02 -0.48 -0.20 0.00 -1.04 0.00 0.00 56.93 55.24 1zzv s PHE 23 Cb -0.01 -1.93 0.03 0.00 -1.21 0.00 0.00 43.02 39.90 1zzv s PHE 23 CO 0.21 0.13 0.61 0.99 -1.34 0.00 0.00 175.22 175.82 1zzv s THR 24 N -2.49 4.87 -0.15 -4.49 2.01 -1.26 -4.84 115.64 109.30 1zzv s THR 24 Ca 0.42 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 1zzv s THR 24 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1zzv s THR 24 CO 0.25 -0.61 0.40 -0.22 -0.69 0.00 0.00 174.62 173.74 1zzv s LEU 25 N 2.69 4.24 -0.51 4.42 0.20 -1.26 -2.34 118.68 126.11 1zzv s LEU 25 Ca 0.20 0.65 -0.13 0.00 0.69 0.00 0.00 54.13 55.53 1zzv s LEU 25 Cb -0.15 -2.55 0.13 0.00 -0.43 0.00 0.00 46.19 43.18 1zzv s LEU 25 CO 0.17 0.01 0.44 -0.55 -0.29 0.00 0.00 176.35 176.12 1zzv s SER 26 N 0.68 5.98 -0.12 3.68 0.15 -0.34 -4.95 113.70 118.78 1zzv s SER 26 Ca 0.21 -1.86 -0.07 0.00 0.70 0.00 0.00 55.95 54.93 1zzv s SER 26 Cb -0.14 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1zzv s SER 26 CO 0.08 -0.78 0.29 0.54 1.20 0.00 0.00 173.24 174.56 1zzv s VAL 27 N 1.46 -0.03 -0.13 4.45 0.11 -1.26 -1.83 120.40 123.18 1zzv s VAL 27 Ca 0.05 0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 1zzv s VAL 27 Cb -0.28 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1zzv s VAL 27 CO 0.01 0.04 0.20 -1.81 -3.33 0.00 0.00 175.10 170.21 1zzv s ASP 28 N 0.94 6.42 0.64 3.54 1.01 -1.26 -4.98 116.67 122.97 1zzv s ASP 28 Ca -0.06 0.49 0.34 0.00 0.71 0.00 0.00 52.55 54.02 1zzv s ASP 28 Cb -0.07 -2.12 1.86 0.00 1.01 0.00 0.00 42.92 43.59 1zzv s ASP 28 CO -0.07 0.28 2.11 0.00 0.21 0.00 0.00 175.17 177.71 1zzv h ALA 29 N 5.67 1.45 0.00 5.23 0.00 -2.01 -0.98 119.26 128.62 1zzv h ALA 29 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1zzv h ALA 29 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1zzv h ALA 29 CO 0.66 -0.24 0.00 0.43 0.00 0.00 0.00 179.25 180.10 1zzv n SER 30 N -3.31 0.65 -0.02 0.00 7.64 -1.26 -0.88 113.62 116.45 1zzv n SER 30 Ca -0.01 0.67 0.05 0.00 1.01 0.00 0.00 58.87 60.60 1zzv n SER 30 Cb 0.28 -0.80 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 1zzv n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1zzv n LEU 31 N -2.23 0.16 -0.60 -3.43 4.77 -0.37 -4.37 117.00 110.92 1zzv n LEU 31 Ca 0.02 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1zzv n LEU 31 Cb 0.21 0.11 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1zzv n LEU 31 CO 0.19 0.11 0.55 0.35 -1.33 0.00 0.00 177.39 177.26 1zzv n THR 32 N -2.47 0.55 -1.78 -5.08 -2.24 -0.81 -4.83 114.28 97.64 1zzv n THR 32 Ca -0.11 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 1zzv n THR 32 Cb 0.73 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1zzv n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zzv s ARG 33 N -1.01 2.97 0.00 -0.78 1.70 -0.05 -0.88 118.95 120.90 1zzv s ARG 33 Ca 0.20 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 57.03 1zzv s ARG 33 Cb 0.12 -4.35 0.00 0.00 -0.57 0.00 0.00 34.95 30.15 1zzv s ARG 33 CO 0.16 -2.29 0.00 0.41 -1.08 0.00 0.00 175.30 172.50 1zzv n GLY 34 N 5.68 0.77 3.54 3.88 0.00 -1.26 -4.99 105.19 112.81 1zzv n GLY 34 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1zzv n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zzv s LYS 35 N -0.18 3.34 0.16 1.61 2.47 -0.06 -5.01 119.74 122.08 1zzv s LYS 35 Ca 0.00 -0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.28 1zzv s LYS 35 Cb 0.00 -4.08 -0.04 0.00 -1.46 0.00 0.00 37.83 32.25 1zzv s LYS 35 CO 0.00 -1.67 0.19 -1.14 0.16 0.00 0.00 175.35 172.88 1zzv s GLN 36 N 4.51 3.08 -0.05 4.03 0.74 -1.26 -0.09 119.66 130.62 1zzv s GLN 36 Ca 0.34 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 55.01 1zzv s GLN 36 Cb -0.11 -2.75 -0.00 0.00 1.10 0.00 0.00 33.01 31.25 1zzv s GLN 36 CO 0.19 0.49 -0.19 0.45 -0.55 0.00 0.00 175.29 175.69 1zzv s SER 37 N -3.17 2.34 0.43 6.67 0.15 0.19 -4.68 113.70 115.62 1zzv s SER 37 Ca 0.32 -0.39 0.30 0.00 0.70 0.00 0.00 55.95 56.88 1zzv s SER 37 Cb -0.10 -0.71 1.44 0.00 -1.71 0.00 0.00 66.02 64.93 1zzv s SER 37 CO 0.25 0.16 1.90 0.78 1.20 0.00 0.00 173.24 177.53 1zzv h ASN 38 N 6.30 0.00 -4.84 5.45 -0.26 -1.89 -1.27 115.58 119.08 1zzv h ASN 38 Ca -0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1zzv h ASN 38 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1zzv h ASN 38 CO 0.48 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.46 1zzv n GLY 39 N -0.62 1.71 3.64 2.83 0.00 -1.26 -3.66 105.19 107.83 1zzv n GLY 39 Ca -0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 1zzv n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zzv s LEU 40 N 0.00 -0.98 -0.31 0.99 2.96 -0.06 -4.96 118.68 116.32 1zzv s LEU 40 Ca 0.00 1.52 -0.03 0.00 -0.22 0.00 0.00 54.13 55.41 1zzv s LEU 40 Cb 0.00 2.37 0.11 0.00 0.50 0.00 0.00 46.19 49.17 1zzv s LEU 40 CO 0.00 -0.24 0.14 -1.00 -1.32 0.00 0.00 176.35 173.94 1zzv s HIS 41 N 1.86 0.61 0.15 5.38 3.76 -1.26 -0.44 115.29 125.35 1zzv s HIS 41 Ca -0.09 -1.17 -0.24 0.00 -0.15 0.00 0.00 55.06 53.41 1zzv s HIS 41 Cb -0.06 -1.03 0.08 0.00 1.11 0.00 0.00 32.58 32.68 1zzv s HIS 41 CO -0.20 -0.83 1.08 0.20 -0.85 0.00 0.00 174.74 174.14 1zzv s GLY 42 N 1.80 0.04 -1.08 -2.22 0.00 -1.23 -5.06 107.32 99.57 1zzv s GLY 42 Ca 0.11 -0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.41 1zzv s GLY 42 CO -0.27 2.70 1.45 -0.35 0.00 0.00 0.00 173.10 176.62 1zzv s ASP 43 N -3.43 6.64 -0.16 1.64 2.15 -1.26 -2.27 116.67 119.98 1zzv s ASP 43 Ca 0.22 -1.90 -0.03 0.00 0.43 0.00 0.00 52.55 51.26 1zzv s ASP 43 Cb -0.02 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1zzv s ASP 43 CO 0.04 -1.29 -0.04 -0.31 -0.17 0.00 0.00 175.17 173.40 1zzv s TYR 44 N 4.09 3.00 0.88 -5.34 1.51 0.20 -4.45 117.35 117.24 1zzv s TYR 44 Ca 0.45 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 56.00 1zzv s TYR 44 Cb -0.00 -1.97 0.17 0.00 -0.11 0.00 0.00 41.96 40.05 1zzv s TYR 44 CO -0.05 -0.10 1.22 -0.51 -1.11 0.00 0.00 175.55 175.00 1zzv s ASP 45 N 0.49 3.57 0.00 2.29 1.01 -1.26 -3.37 116.67 119.40 1zzv s ASP 45 Ca -0.04 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1zzv s ASP 45 Cb -0.14 -0.34 0.00 0.00 1.01 0.00 0.00 42.92 43.44 1zzv s ASP 45 CO 0.03 -2.43 0.98 0.52 0.21 0.00 0.00 175.17 174.49 1zzv n VAL 46 N -3.48 0.00 -0.17 -1.27 0.31 -1.26 -0.62 118.33 111.83 1zzv n VAL 46 Ca 0.14 1.48 -0.03 0.00 -0.01 0.00 0.00 64.34 65.92 1zzv n VAL 46 Cb 0.60 -2.23 0.06 0.00 -0.91 0.00 0.00 33.84 31.36 1zzv n VAL 46 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1zzv h GLU 47 N 0.00 0.46 -0.13 5.55 3.07 -1.95 -2.22 114.58 119.36 1zzv h GLU 47 Ca 0.00 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 1zzv h GLU 47 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1zzv h GLU 47 CO 0.00 0.30 -0.61 1.03 -1.40 0.00 0.00 179.01 178.34 1zzv h SER 48 N 0.47 0.50 0.15 1.42 0.87 -1.91 -2.36 113.55 112.69 1zzv h SER 48 Ca 0.24 -0.29 -0.26 0.00 -1.23 0.00 0.00 61.79 60.26 1zzv h SER 48 Cb 0.19 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1zzv h SER 48 CO -0.19 0.99 -1.03 1.23 -0.53 0.00 0.00 176.83 177.29 1zzv h GLY 49 N 1.20 0.65 1.19 5.77 0.00 -0.67 -3.03 103.07 108.18 1zzv h GLY 49 Ca -0.01 -1.17 -0.12 0.00 0.00 0.00 0.00 47.33 46.03 1zzv h GLY 49 CO 0.11 1.03 -0.19 1.41 0.00 0.00 0.00 176.54 178.90 1zzv h LEU 50 N 0.32 0.95 -0.86 3.11 3.38 -1.39 -2.66 115.31 118.15 1zzv h LEU 50 Ca -0.12 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1zzv h LEU 50 Cb 1.68 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1zzv h LEU 50 CO 0.19 1.11 0.55 -0.61 0.09 0.00 0.00 178.44 179.78 1zzv h GLN 51 N 0.82 1.04 -0.20 1.13 4.15 -1.42 -2.67 115.11 117.96 1zzv h GLN 51 Ca 0.11 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1zzv h GLN 51 Cb 0.74 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1zzv h GLN 51 CO 0.06 0.69 -0.03 0.37 -1.93 0.00 0.00 178.83 177.99 1zzv h GLN 52 N 1.07 0.38 -0.52 1.69 5.75 -1.40 -3.20 115.11 118.89 1zzv h GLN 52 Ca 0.35 -0.14 0.11 0.00 -0.15 0.00 0.00 58.65 58.82 1zzv h GLN 52 Cb 0.02 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1zzv h GLN 52 CO -0.12 0.61 0.36 -0.07 -2.65 0.00 0.00 178.83 176.96 1zzv h LEU 53 N 0.12 0.22 -1.63 -2.39 3.38 -1.14 -1.83 115.31 112.04 1zzv h LEU 53 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1zzv h LEU 53 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1zzv h LEU 53 CO 0.02 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1zzv n LEU 54 N -4.45 2.38 -4.73 1.67 4.77 -1.08 -4.91 117.00 110.63 1zzv n LEU 54 Ca 0.09 -1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 54.49 1zzv n LEU 54 Cb 0.42 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1zzv n LEU 54 CO 0.35 0.58 1.13 -0.62 -1.33 0.00 0.00 177.39 177.49 1zzv s ASP 55 N -1.10 6.67 0.00 -1.43 2.15 -0.69 -2.73 116.67 119.53 1zzv s ASP 55 Ca 0.31 2.60 0.00 0.00 0.43 0.00 0.00 52.55 55.89 1zzv s ASP 55 Cb 0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1zzv s ASP 55 CO 0.22 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 1zzv n GLY 56 N 2.75 0.92 1.16 2.66 0.00 -1.26 -5.08 105.19 106.34 1zzv n GLY 56 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1zzv n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zzv n SER 57 N 0.00 -0.50 -0.73 1.61 3.41 -1.11 -5.07 113.62 111.24 1zzv n SER 57 Ca 0.00 -1.63 0.03 0.00 -0.26 0.00 0.00 58.87 57.01 1zzv n SER 57 Cb 0.00 0.91 0.20 0.00 -0.26 0.00 0.00 64.21 65.07 1zzv n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zzv n GLY 58 N -0.19 5.14 3.99 5.00 0.00 -1.26 -4.91 105.19 112.96 1zzv n GLY 58 Ca -0.00 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 1zzv n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzv s LEU 59 N -3.25 3.80 -0.24 0.99 1.43 -1.26 -0.37 118.68 119.78 1zzv s LEU 59 Ca 0.39 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1zzv s LEU 59 Cb 0.38 -2.79 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1zzv s LEU 59 CO -0.06 -0.60 0.49 -1.58 0.23 0.00 0.00 176.35 174.83 1zzv s GLN 60 N -4.31 0.41 -0.18 1.70 0.74 0.16 -4.53 119.66 113.65 1zzv s GLN 60 Ca 0.49 1.12 -0.16 0.00 0.05 0.00 0.00 55.36 56.86 1zzv s GLN 60 Cb -0.10 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 1zzv s GLN 60 CO 0.33 -0.29 0.38 0.54 -0.55 0.00 0.00 175.29 175.70 1zzv s VAL 61 N 2.70 5.23 0.01 1.34 0.11 -1.26 -1.85 120.40 126.68 1zzv s VAL 61 Ca -0.00 0.69 0.05 0.00 -2.93 0.00 0.00 61.98 59.78 1zzv s VAL 61 Cb -0.12 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1zzv s VAL 61 CO -0.15 0.30 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.22 1zzv s LYS 62 N 1.00 1.13 -0.08 1.54 1.02 -0.68 -4.86 119.74 118.81 1zzv s LYS 62 Ca 0.19 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1zzv s LYS 62 Cb -0.14 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1zzv s LYS 62 CO 0.07 0.30 1.48 -2.14 -0.92 0.00 0.00 175.35 174.14 1zzv s PRO 63 N -0.74 4.22 0.29 -1.68 0.02 -1.26 -1.66 135.00 134.18 1zzv s PRO 63 Ca 0.04 1.98 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 1zzv s PRO 63 Cb -0.07 -3.84 0.46 0.00 0.02 0.00 0.00 34.50 31.07 1zzv s PRO 63 CO 0.00 -0.75 1.92 -0.07 -0.33 0.00 0.00 177.00 177.78 1zzv h LEU 64 N 9.72 0.97 0.00 -5.54 3.38 -0.26 -3.47 115.31 120.11 1zzv h LEU 64 Ca -0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1zzv h LEU 64 Cb 1.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1zzv h LEU 64 CO 0.95 0.65 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1zzv n GLY 65 N -1.39 -0.80 0.00 0.83 0.00 -1.26 -5.03 105.19 97.54 1zzv n GLY 65 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1zzv n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1zzv n ASN 66 N 0.00 0.00 -2.69 1.61 2.85 -1.26 -4.82 115.26 110.94 1zzv n ASN 66 Ca 0.00 0.64 -0.06 0.00 -0.11 0.00 0.00 54.58 55.05 1zzv n ASN 66 Cb 0.00 -0.14 0.09 0.00 1.24 0.00 0.00 39.78 40.96 1zzv n ASN 66 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1zzv n ASN 67 N -0.93 -1.76 -3.71 1.20 5.15 -1.26 -5.15 115.26 108.81 1zzv n ASN 67 Ca 0.00 -2.61 -0.13 0.00 -0.60 0.00 0.00 54.58 51.24 1zzv n ASN 67 Cb 0.00 1.37 -0.06 0.00 -0.53 0.00 0.00 39.78 40.56 1zzv n ASN 67 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1zzv s SER 68 N -0.80 0.50 0.12 1.20 0.01 -1.26 -4.04 113.70 109.43 1zzv s SER 68 Ca 0.19 -1.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.11 1zzv s SER 68 Cb 0.28 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 1zzv s SER 68 CO -0.09 -1.12 0.05 0.26 0.41 0.00 0.00 173.24 172.74 1zzv s TRP 69 N -3.64 0.83 -0.06 2.43 0.51 -0.99 0.51 118.94 118.53 1zzv s TRP 69 Ca 0.31 -1.22 -0.13 0.00 -2.12 0.00 0.00 56.10 52.95 1zzv s TRP 69 Cb 0.02 -0.47 0.03 0.00 -0.81 0.00 0.00 33.47 32.23 1zzv s TRP 69 CO 0.16 -0.50 0.31 -0.08 -0.51 0.00 0.00 176.95 176.32 1zzv s THR 70 N -4.03 0.03 -0.54 2.01 -1.32 -0.66 -1.20 115.64 109.93 1zzv s THR 70 Ca 0.22 -0.27 -0.18 0.00 -1.21 0.00 0.00 61.69 60.25 1zzv s THR 70 Cb 0.08 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.62 1zzv s THR 70 CO 0.01 -0.15 0.62 -0.22 -2.21 0.00 0.00 174.62 172.66 1zzv s LEU 71 N -0.65 5.28 -0.00 9.08 2.96 -0.76 -1.69 118.68 132.89 1zzv s LEU 71 Ca -0.07 -1.21 0.00 0.00 -0.22 0.00 0.00 54.13 52.63 1zzv s LEU 71 Cb -0.04 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1zzv s LEU 71 CO 0.02 -0.94 0.05 -1.61 -1.32 0.00 0.00 176.35 172.55 1zzv s GLU 72 N 2.46 2.95 -0.28 1.98 2.02 -0.77 -4.94 118.70 122.12 1zzv s GLU 72 Ca 0.12 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 1zzv s GLU 72 Cb -0.22 -2.78 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 1zzv s GLU 72 CO 0.09 0.64 1.36 -2.14 0.02 0.00 0.00 175.26 175.23 1zzv s PRO 73 N -1.66 3.89 0.00 0.39 0.02 -1.26 0.38 135.00 136.76 1zzv s PRO 73 Ca 0.21 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1zzv s PRO 73 Cb -0.12 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.49 1zzv s PRO 73 CO 0.12 -1.15 0.00 0.00 -0.33 0.00 0.00 177.00 175.64 1zzv n ALA 74 N 7.79 0.00 -0.60 -1.55 0.00 0.50 -4.89 120.51 121.76 1zzv n ALA 74 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1zzv n ALA 74 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1zzv n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1zzv n PRO 75 N 0.00 1.20 -3.31 0.00 -0.04 -0.97 -4.16 135.00 127.72 1zzv n PRO 75 Ca 0.00 -0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.10 1zzv n PRO 75 Cb 0.00 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1zzv n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzv n ALA 76 N 1.75 -2.54 -2.03 0.55 0.00 -1.26 -4.95 120.51 112.03 1zzv n ALA 76 Ca 0.10 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 1zzv n ALA 76 Cb 0.58 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.71 1zzv n ALA 76 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1zzv s PRO 77 N -4.20 4.53 1.83 0.00 0.04 -1.26 -4.89 135.00 131.04 1zzv s PRO 77 Ca 0.23 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1zzv s PRO 77 Cb -0.05 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1zzv s PRO 77 CO 0.78 0.56 0.00 1.63 0.04 0.00 0.00 177.00 180.02 1zzv n LYS 78 N 1.67 0.00 -3.53 4.56 5.02 -1.26 -4.79 118.16 119.83 1zzv n LYS 78 Ca -0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 1zzv n LYS 78 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.35 1zzv n LYS 78 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1zzv s GLU 79 N 0.00 0.20 0.00 1.97 2.56 -1.26 -5.20 118.70 116.97 1zzv s GLU 79 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.97 54.51 1zzv s GLU 79 Cb 0.00 -1.14 0.00 0.00 2.00 0.00 0.00 34.13 34.99 1zzv s GLU 79 CO 0.00 -1.00 0.00 -0.40 -0.56 0.00 0.00 175.26 173.30