#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzv n GLN 2 N 0.00 -3.54 -3.86 0.00 -0.06 -1.26 -4.99 117.38 103.67 1zzv n GLN 2 Ca 0.00 2.68 -0.35 0.00 -2.00 0.00 0.00 57.00 57.33 1zzv n GLN 2 Cb 0.00 -2.70 -0.08 0.00 -4.06 0.00 0.00 30.24 23.40 1zzv n GLN 2 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1zzv s VAL 3 N -0.40 5.18 -0.34 1.69 1.01 0.18 -4.88 120.40 122.85 1zzv s VAL 3 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1zzv s VAL 3 Cb 0.00 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1zzv s VAL 3 CO 0.00 0.47 0.07 0.20 0.00 0.00 0.00 175.10 175.85 1zzv s ASN 4 N 0.16 4.54 0.16 3.32 0.01 -1.26 -2.94 114.94 118.93 1zzv s ASN 4 Ca 0.07 -2.05 0.05 0.00 -0.71 0.00 0.00 52.86 50.22 1zzv s ASN 4 Cb -0.12 -1.41 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 1zzv s ASN 4 CO -0.01 -0.38 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.47 1zzv s ILE 5 N 1.05 1.29 0.22 0.60 1.01 -0.09 -4.97 121.20 120.31 1zzv s ILE 5 Ca 0.11 -2.09 -0.22 0.00 0.00 0.00 0.00 60.65 58.44 1zzv s ILE 5 Cb -0.19 -1.92 0.06 0.00 0.01 0.00 0.00 42.46 40.42 1zzv s ILE 5 CO -0.12 -0.69 0.90 0.00 0.00 0.00 0.00 174.94 175.02 1zzv s ALA 6 N -3.26 -1.42 0.01 9.38 0.00 -1.26 -2.86 121.76 122.35 1zzv s ALA 6 Ca 0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.63 1zzv s ALA 6 Cb 0.02 0.71 -0.17 0.00 0.00 0.00 0.00 23.12 23.68 1zzv s ALA 6 CO 0.02 -1.04 0.89 -2.30 0.00 0.00 0.00 175.76 173.33 1zzv n PRO 7 N -0.52 0.00 -3.11 0.00 -0.02 -1.19 -4.11 135.00 126.04 1zzv n PRO 7 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1zzv n PRO 7 Cb 0.60 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 1zzv n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zzv n GLY 8 N 1.29 -1.73 3.73 -1.23 0.00 -0.80 -4.97 105.19 101.49 1zzv n GLY 8 Ca 0.17 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1zzv n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zzv s SER 9 N -1.13 6.82 0.46 1.61 0.01 -1.25 0.01 113.70 120.22 1zzv s SER 9 Ca 0.00 2.46 0.13 0.00 1.31 0.00 0.00 55.95 59.85 1zzv s SER 9 Cb 0.00 -2.61 1.07 0.00 0.21 0.00 0.00 66.02 64.69 1zzv s SER 9 CO 0.00 -0.60 2.07 0.25 0.41 0.00 0.00 173.24 175.37 1zzv h LEU 10 N 5.57 0.26 -0.68 2.44 5.85 -1.76 0.18 115.31 127.17 1zzv h LEU 10 Ca -0.44 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.42 1zzv h LEU 10 Cb 1.21 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1zzv h LEU 10 CO 0.79 0.18 0.12 0.44 -0.34 0.00 0.00 178.44 179.63 1zzv h ASP 11 N 0.30 -0.08 -0.26 1.25 3.32 -1.83 -0.90 116.42 118.22 1zzv h ASP 11 Ca 0.14 0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1zzv h ASP 11 Cb 0.17 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1zzv h ASP 11 CO -0.03 -0.05 -0.01 0.50 -1.72 0.00 0.00 179.24 177.93 1zzv h LYS 12 N 0.22 0.58 0.71 3.56 3.11 -1.34 -0.96 116.57 122.45 1zzv h LYS 12 Ca 0.37 -0.13 -0.03 0.00 -2.81 0.00 0.00 60.65 58.04 1zzv h LYS 12 Cb 0.62 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1zzv h LYS 12 CO -0.50 0.61 -0.34 0.00 -2.81 0.00 0.00 179.45 176.41 1zzv h ALA 13 N 1.44 -0.95 -0.92 5.00 0.00 -0.98 0.59 119.26 123.44 1zzv h ALA 13 Ca 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1zzv h ALA 13 Cb 0.37 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1zzv h ALA 13 CO 0.01 -0.90 0.61 -0.07 0.00 0.00 0.00 179.25 178.90 1zzv h LEU 14 N -1.21 1.04 -1.10 0.00 3.38 -1.38 -1.67 115.31 114.36 1zzv h LEU 14 Ca -0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1zzv h LEU 14 Cb 0.74 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1zzv h LEU 14 CO 0.16 0.74 0.46 -1.13 0.09 0.00 0.00 178.44 178.76 1zzv h ASN 15 N 1.22 0.96 -0.54 -0.43 -1.24 -1.10 0.18 115.58 114.63 1zzv h ASN 15 Ca 0.35 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 1zzv h ASN 15 Cb -0.10 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.69 1zzv h ASN 15 CO -0.08 0.75 0.30 -0.61 -1.29 0.00 0.00 177.43 176.49 1zzv h GLN 16 N 1.10 0.75 -0.30 6.67 -0.00 0.03 0.78 115.11 124.14 1zzv h GLN 16 Ca 0.28 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.76 1zzv h GLN 16 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 1zzv h GLN 16 CO -0.05 0.58 -0.16 -0.92 0.00 0.00 0.00 178.83 178.28 1zzv h TYR 17 N 0.72 0.75 -0.33 3.99 5.03 -0.75 -2.17 116.97 124.21 1zzv h TYR 17 Ca 0.19 -0.19 0.06 0.00 2.58 0.00 0.00 58.73 61.37 1zzv h TYR 17 Cb 0.05 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.10 1zzv h TYR 17 CO -0.01 0.88 -0.01 0.00 -1.32 0.00 0.00 178.16 177.70 1zzv h ALA 18 N 0.75 0.29 0.00 1.82 0.00 -0.46 -1.49 119.26 120.18 1zzv h ALA 18 Ca 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1zzv h ALA 18 Cb 0.69 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1zzv h ALA 18 CO 0.05 -0.41 -0.12 0.00 0.00 0.00 0.00 179.25 178.77 1zzv h ALA 19 N 1.30 1.30 0.09 0.00 0.00 -0.74 0.13 119.26 121.33 1zzv h ALA 19 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1zzv h ALA 19 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zzv h ALA 19 CO -0.28 0.15 -0.04 1.25 0.00 0.00 0.00 179.25 180.33 1zzv h HIS 20 N 0.00 -0.12 -0.02 0.00 6.17 -0.60 -3.23 115.15 117.36 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 0.34 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1zzv h HIS 20 CO 0.00 -0.03 -0.09 0.43 0.71 0.00 0.00 177.93 178.95 1zzv n SER 21 N -5.12 1.95 -3.19 3.26 7.64 -1.17 -5.01 113.62 111.98 1zzv n SER 21 Ca -0.08 -1.48 -0.17 0.00 1.01 0.00 0.00 58.87 58.15 1zzv n SER 21 Cb 0.10 0.15 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1zzv n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzv n GLY 22 N 0.88 -0.31 3.93 0.23 0.00 0.44 -5.02 105.19 105.34 1zzv n GLY 22 Ca 0.07 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.31 2.34 -0.51 1.61 -0.71 -1.17 -5.05 117.98 111.18 1zzv s PHE 23 Ca 0.18 -0.57 -0.21 0.00 -1.04 0.00 0.00 56.93 55.29 1zzv s PHE 23 Cb -0.08 -2.17 0.05 0.00 -1.21 0.00 0.00 43.02 39.61 1zzv s PHE 23 CO 0.65 -0.39 0.72 0.99 -1.34 0.00 0.00 175.22 175.84 1zzv s THR 24 N -2.53 4.73 -0.22 -4.49 2.01 -1.26 -4.89 115.64 108.99 1zzv s THR 24 Ca 0.49 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 1zzv s THR 24 Cb -0.05 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1zzv s THR 24 CO 0.29 -0.86 0.47 -0.22 -0.69 0.00 0.00 174.62 173.61 1zzv s LEU 25 N 3.02 4.11 -0.52 4.42 0.20 -1.26 -1.90 118.68 126.75 1zzv s LEU 25 Ca 0.20 0.55 -0.15 0.00 0.69 0.00 0.00 54.13 55.43 1zzv s LEU 25 Cb -0.17 -2.62 0.12 0.00 -0.43 0.00 0.00 46.19 43.09 1zzv s LEU 25 CO 0.15 -0.18 0.45 -0.55 -0.29 0.00 0.00 176.35 175.93 1zzv s SER 26 N 1.27 6.11 -0.03 3.68 0.15 -0.10 -4.93 113.70 119.85 1zzv s SER 26 Ca 0.21 -1.71 -0.01 0.00 0.70 0.00 0.00 55.95 55.14 1zzv s SER 26 Cb -0.15 -2.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1zzv s SER 26 CO 0.09 -0.79 0.06 0.54 1.20 0.00 0.00 173.24 174.34 1zzv s VAL 27 N 1.57 -0.03 -0.16 4.45 0.11 -1.26 -1.98 120.40 123.10 1zzv s VAL 27 Ca 0.04 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 1zzv s VAL 27 Cb -0.28 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1zzv s VAL 27 CO 0.03 0.04 0.94 -0.62 -3.33 0.00 0.00 175.10 172.17 1zzv s ASP 28 N 0.55 7.09 -1.01 3.54 2.15 -1.26 -4.94 116.67 122.79 1zzv s ASP 28 Ca -0.04 1.34 -0.27 0.00 0.43 0.00 0.00 52.55 54.01 1zzv s ASP 28 Cb -0.06 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 39.84 1zzv s ASP 28 CO -0.02 -0.48 2.20 0.00 -0.17 0.00 0.00 175.17 176.70 1zzv s ALA 29 N 2.37 0.46 0.00 3.66 0.00 -1.26 -2.95 121.76 124.04 1zzv s ALA 29 Ca 0.43 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1zzv s ALA 29 Cb -0.17 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1zzv s ALA 29 CO 0.13 -6.76 0.00 -1.13 0.00 0.00 0.00 175.76 168.00 1zzv n SER 30 N 19.70 0.00 -0.16 0.00 3.41 -1.26 -4.95 113.62 130.35 1zzv n SER 30 Ca 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.96 1zzv n SER 30 Cb 0.46 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1zzv n SER 30 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1zzv h LEU 31 N 0.00 0.61 -1.91 1.04 3.38 -1.96 -2.84 115.31 113.63 1zzv h LEU 31 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1zzv h LEU 31 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1zzv h LEU 31 CO 0.00 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.43 1zzv n THR 32 N -4.65 0.23 -1.67 0.22 -2.24 -1.26 -4.92 114.28 99.98 1zzv n THR 32 Ca 0.01 -0.56 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 1zzv n THR 32 Cb 0.10 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1zzv n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1zzv n ARG 33 N 1.19 2.67 -0.94 -0.78 1.74 -1.07 -1.43 116.66 118.04 1zzv n ARG 33 Ca 0.17 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.22 1zzv n ARG 33 Cb 0.55 -2.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1zzv n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zzv n GLY 34 N 4.40 0.51 3.85 -0.13 0.00 -1.26 -5.02 105.19 107.54 1zzv n GLY 34 Ca 0.20 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1zzv n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzv s LYS 35 N -0.37 3.98 -0.02 1.61 3.01 -0.51 -5.03 119.74 122.41 1zzv s LYS 35 Ca 0.00 0.69 0.03 0.00 -1.01 0.00 0.00 55.97 55.68 1zzv s LYS 35 Cb 0.00 -2.39 -0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1zzv s LYS 35 CO 0.00 0.09 -0.11 -0.65 0.51 0.00 0.00 175.35 175.19 1zzv s GLN 36 N -3.20 0.97 0.00 1.68 -1.52 -1.26 -2.38 119.66 113.95 1zzv s GLN 36 Ca 0.55 -0.38 0.04 0.00 -1.95 0.00 0.00 55.36 53.62 1zzv s GLN 36 Cb -0.10 -0.91 -0.01 0.00 -0.22 0.00 0.00 33.01 31.76 1zzv s GLN 36 CO 0.20 0.20 -0.11 0.45 -0.25 0.00 0.00 175.29 175.77 1zzv s SER 37 N -0.09 1.32 0.00 5.90 0.15 0.10 -4.76 113.70 116.33 1zzv s SER 37 Ca 0.01 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.67 1zzv s SER 37 Cb -0.06 -0.12 1.50 0.00 -1.71 0.00 0.00 66.02 65.62 1zzv s SER 37 CO 0.00 0.10 1.94 0.59 1.20 0.00 0.00 173.24 177.06 1zzv n ASN 38 N 2.56 0.00 0.00 5.45 5.03 -1.26 -1.90 115.26 125.14 1zzv n ASN 38 Ca -0.15 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.77 1zzv n ASN 38 Cb 0.56 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 1zzv n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zzv n GLY 39 N 0.79 -1.72 3.63 7.41 0.00 -1.26 -3.18 105.19 110.86 1zzv n GLY 39 Ca 0.17 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.74 -0.29 0.99 2.96 -1.13 -4.82 118.68 115.65 1zzv s LEU 40 Ca 0.00 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1zzv s LEU 40 Cb 0.00 2.46 0.12 0.00 0.50 0.00 0.00 46.19 49.27 1zzv s LEU 40 CO 0.00 -0.26 0.24 -2.28 -1.32 0.00 0.00 176.35 172.73 1zzv s HIS 41 N 0.31 -0.16 0.10 5.38 5.65 -1.26 -0.91 115.29 124.41 1zzv s HIS 41 Ca -0.00 -0.47 -0.26 0.00 0.25 0.00 0.00 55.06 54.57 1zzv s HIS 41 Cb -0.05 -0.62 0.08 0.00 -1.18 0.00 0.00 32.58 30.81 1zzv s HIS 41 CO 0.01 -0.89 1.07 0.20 -0.65 0.00 0.00 174.74 174.48 1zzv s GLY 42 N 2.22 -0.26 -0.91 1.59 0.00 -1.15 -5.00 107.32 103.80 1zzv s GLY 42 Ca 0.10 0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 1zzv s GLY 42 CO -0.33 0.26 1.21 -0.35 0.00 0.00 0.00 173.10 173.89 1zzv s ASP 43 N -3.00 6.51 -0.10 1.64 3.68 -1.26 0.49 116.67 124.63 1zzv s ASP 43 Ca 0.14 -1.65 -0.02 0.00 2.13 0.00 0.00 52.55 53.14 1zzv s ASP 43 Cb 0.00 -2.46 -0.03 0.00 -1.45 0.00 0.00 42.92 38.98 1zzv s ASP 43 CO 0.01 -1.28 -0.01 -0.31 0.13 0.00 0.00 175.17 173.70 1zzv s TYR 44 N 3.70 3.12 0.81 -5.34 1.51 -1.26 -4.79 117.35 115.10 1zzv s TYR 44 Ca 0.35 0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 1zzv s TYR 44 Cb -0.05 -1.82 0.08 0.00 -0.11 0.00 0.00 41.96 40.06 1zzv s TYR 44 CO -0.06 0.37 1.10 0.34 -1.11 0.00 0.00 175.55 176.19 1zzv s ASP 45 N -0.63 4.41 0.00 2.29 2.15 -1.26 -4.29 116.67 119.33 1zzv s ASP 45 Ca 0.10 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.32 1zzv s ASP 45 Cb -0.12 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1zzv s ASP 45 CO 0.02 -2.02 0.98 0.52 -0.17 0.00 0.00 175.17 174.51 1zzv n VAL 46 N -3.45 0.00 -0.26 1.11 0.31 -1.26 -1.06 118.33 113.71 1zzv n VAL 46 Ca 0.07 1.48 -0.05 0.00 -0.01 0.00 0.00 64.34 65.83 1zzv n VAL 46 Cb 0.57 -2.25 0.06 0.00 -0.91 0.00 0.00 33.84 31.31 1zzv n VAL 46 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1zzv h GLU 47 N 0.00 1.00 0.00 5.55 4.81 -1.97 -2.18 114.58 121.79 1zzv h GLU 47 Ca 0.00 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1zzv h GLU 47 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1zzv h GLU 47 CO 0.00 0.73 -0.32 1.03 -0.73 0.00 0.00 179.01 179.73 1zzv h SER 48 N 0.99 0.00 0.39 1.04 0.87 -1.95 -1.14 113.55 113.76 1zzv h SER 48 Ca 0.26 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.57 1zzv h SER 48 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1zzv h SER 48 CO -0.04 0.32 -1.06 1.23 -0.53 0.00 0.00 176.83 176.74 1zzv h GLY 49 N 1.72 0.45 0.88 5.77 0.00 -0.50 -3.09 103.07 108.30 1zzv h GLY 49 Ca -0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 47.33 46.30 1zzv h GLY 49 CO 0.04 0.78 -0.45 1.41 0.00 0.00 0.00 176.54 178.33 1zzv h LEU 50 N 0.19 0.62 -0.35 3.11 3.38 -1.06 -2.84 115.31 118.37 1zzv h LEU 50 Ca -0.11 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.32 1zzv h LEU 50 Cb 1.73 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 1zzv h LEU 50 CO 0.18 1.12 -0.09 -0.61 0.09 0.00 0.00 178.44 179.14 1zzv h GLN 51 N 0.15 -0.00 -0.45 1.13 5.75 -1.29 -2.24 115.11 118.15 1zzv h GLN 51 Ca -0.02 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1zzv h GLN 51 Cb 1.08 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 1zzv h GLN 51 CO 0.09 -0.00 -0.06 1.96 -2.65 0.00 0.00 178.83 178.17 1zzv h GLN 52 N -0.01 0.79 -1.00 1.69 1.08 -1.58 -2.22 115.11 113.86 1zzv h GLN 52 Ca 0.17 -0.24 0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1zzv h GLN 52 Cb 0.26 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1zzv h GLN 52 CO -0.36 0.83 0.65 -0.07 -0.95 0.00 0.00 178.83 178.93 1zzv h LEU 53 N 0.72 1.06 -3.23 1.46 3.38 -1.16 -2.78 115.31 114.76 1zzv h LEU 53 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1zzv h LEU 53 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1zzv h LEU 53 CO 0.03 0.69 0.00 0.18 0.09 0.00 0.00 178.44 179.43 1zzv n LEU 54 N -4.47 4.42 -4.56 1.67 4.77 -0.96 -4.88 117.00 112.98 1zzv n LEU 54 Ca 0.15 -2.67 -0.31 0.00 -0.03 0.00 0.00 56.01 53.15 1zzv n LEU 54 Cb 0.15 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1zzv n LEU 54 CO 0.33 0.72 1.48 -0.62 -1.33 0.00 0.00 177.39 177.98 1zzv s ASP 55 N -1.24 5.02 0.00 -1.43 2.15 -0.86 -2.35 116.67 117.96 1zzv s ASP 55 Ca 0.45 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1zzv s ASP 55 Cb 0.32 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1zzv s ASP 55 CO 0.16 -2.72 0.00 0.61 -0.17 0.00 0.00 175.17 173.05 1zzv n GLY 56 N 6.35 0.72 0.15 2.66 0.00 -1.26 -4.96 105.19 108.85 1zzv n GLY 56 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.21 1.61 3.41 -0.99 -4.87 113.62 113.06 1zzv n SER 57 Ca 0.00 -0.97 -0.03 0.00 -0.26 0.00 0.00 58.87 57.61 1zzv n SER 57 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.13 0.60 3.50 5.00 0.00 -1.26 -5.02 105.19 109.14 1zzv n GLY 58 Ca 0.20 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.63 2.47 -0.19 0.99 1.43 -1.26 -3.17 118.68 118.32 1zzv s LEU 59 Ca 0.00 -1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 51.72 1zzv s LEU 59 Cb 0.00 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.70 1zzv s LEU 59 CO 0.00 -0.49 0.37 -1.58 0.23 0.00 0.00 176.35 174.89 1zzv s GLN 60 N -3.79 0.28 -0.15 1.70 0.74 -0.81 -4.72 119.66 112.90 1zzv s GLN 60 Ca 0.34 0.90 -0.03 0.00 0.05 0.00 0.00 55.36 56.62 1zzv s GLN 60 Cb 0.08 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1zzv s GLN 60 CO 0.15 -0.31 -0.05 0.54 -0.55 0.00 0.00 175.29 175.07 1zzv s VAL 61 N 2.56 3.78 0.06 1.34 0.11 -1.26 -0.91 120.40 126.07 1zzv s VAL 61 Ca 0.01 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 1zzv s VAL 61 Cb -0.12 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 32.09 1zzv s VAL 61 CO -0.12 0.49 0.25 -1.59 -3.33 0.00 0.00 175.10 170.80 1zzv s LYS 62 N 0.39 0.80 0.56 1.54 -2.85 -0.94 -4.73 119.74 114.52 1zzv s LYS 62 Ca -0.05 -0.67 -0.20 0.00 -1.00 0.00 0.00 55.97 54.05 1zzv s LYS 62 Cb -0.14 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1zzv s LYS 62 CO 0.03 -0.25 1.26 -2.14 0.10 0.00 0.00 175.35 174.35 1zzv s PRO 63 N -2.98 3.12 0.46 1.78 0.02 -1.26 -0.61 135.00 135.52 1zzv s PRO 63 Ca -0.02 1.98 0.20 0.00 0.02 0.00 0.00 61.00 63.18 1zzv s PRO 63 Cb 0.01 -2.11 1.11 0.00 0.02 0.00 0.00 34.50 33.53 1zzv s PRO 63 CO -0.06 -1.13 1.97 -0.07 -0.33 0.00 0.00 177.00 177.38 1zzv h LEU 64 N 1.24 0.00 0.00 -5.54 3.38 -0.82 -3.44 115.31 110.13 1zzv h LEU 64 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1zzv h LEU 64 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1zzv h LEU 64 CO 0.56 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1zzv n GLY 65 N -0.65 0.40 0.00 0.83 0.00 -1.26 -5.08 105.19 99.42 1zzv n GLY 65 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1zzv n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1zzv n ASN 66 N 0.00 0.93 -1.85 1.61 0.23 -1.26 -5.01 115.26 109.91 1zzv n ASN 66 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1zzv n ASN 66 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1zzv n ASN 66 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1zzv n ASN 67 N 0.00 4.51 -4.11 0.53 6.94 -1.26 -4.71 115.26 117.16 1zzv n ASN 67 Ca 0.00 -2.28 -0.10 0.00 -0.02 0.00 0.00 54.58 52.19 1zzv n ASN 67 Cb 0.00 -1.10 -0.09 0.00 -2.36 0.00 0.00 39.78 36.23 1zzv n ASN 67 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1zzv s SER 68 N 2.08 0.25 0.22 0.53 0.01 -1.26 -4.17 113.70 111.35 1zzv s SER 68 Ca 0.31 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.44 1zzv s SER 68 Cb 0.15 0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 1zzv s SER 68 CO 0.00 -0.77 0.04 0.26 0.41 0.00 0.00 173.24 173.18 1zzv s TRP 69 N -4.04 1.42 -0.05 2.43 0.51 -0.80 -0.17 118.94 118.24 1zzv s TRP 69 Ca 0.23 -1.06 -0.09 0.00 -2.12 0.00 0.00 56.10 53.07 1zzv s TRP 69 Cb 0.07 -0.82 0.02 0.00 -0.81 0.00 0.00 33.47 31.92 1zzv s TRP 69 CO 0.02 -0.22 0.22 -0.08 -0.51 0.00 0.00 176.95 176.38 1zzv s THR 70 N -3.64 0.03 -0.59 2.01 -1.32 0.22 -0.92 115.64 111.43 1zzv s THR 70 Ca 0.30 -0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.34 1zzv s THR 70 Cb 0.07 -0.40 0.09 0.00 -1.51 0.00 0.00 72.50 70.75 1zzv s THR 70 CO 0.09 -0.13 0.75 -0.22 -2.21 0.00 0.00 174.62 172.90 1zzv s LEU 71 N -0.47 5.09 -0.14 9.08 2.96 -0.84 -2.21 118.68 132.15 1zzv s LEU 71 Ca -0.06 -1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 52.46 1zzv s LEU 71 Cb -0.04 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1zzv s LEU 71 CO 0.01 -1.15 0.35 -0.70 -1.32 0.00 0.00 176.35 173.54 1zzv s GLU 72 N 3.00 4.27 -0.26 1.98 2.12 -0.09 -4.93 118.70 124.79 1zzv s GLU 72 Ca 0.15 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1zzv s GLU 72 Cb -0.22 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1zzv s GLU 72 CO 0.08 0.22 1.63 -2.14 -0.54 0.00 0.00 175.26 174.51 1zzv s PRO 73 N 0.48 3.68 -0.47 4.30 0.02 -1.26 -1.92 135.00 139.83 1zzv s PRO 73 Ca 0.20 1.53 0.06 0.00 0.02 0.00 0.00 61.00 62.81 1zzv s PRO 73 Cb -0.14 -4.06 0.21 0.00 0.02 0.00 0.00 34.50 30.53 1zzv s PRO 73 CO 0.06 -1.44 0.65 0.00 -0.33 0.00 0.00 177.00 175.94 1zzv n ALA 74 N 8.85 0.04 -0.37 -1.55 0.00 -1.26 -4.94 120.51 121.29 1zzv n ALA 74 Ca 0.19 -2.00 -0.11 0.00 0.00 0.00 0.00 53.44 51.53 1zzv n ALA 74 Cb 0.46 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 2.31 1.55 -3.49 0.00 -0.04 -1.19 -4.35 135.00 129.80 1zzv n PRO 75 Ca 0.19 -1.16 -0.21 0.00 -0.04 0.00 0.00 63.50 62.27 1zzv n PRO 75 Cb 0.56 -1.46 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.30 -2.36 -2.12 0.55 0.00 -1.26 -4.82 120.51 110.79 1zzv n ALA 76 Ca 0.23 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1zzv n ALA 76 Cb 0.72 -4.18 -0.03 0.00 0.00 0.00 0.00 19.45 15.96 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 -5.28 2.86 -1.52 0.00 0.04 -1.26 -2.15 135.00 127.68 1zzv s PRO 77 Ca 0.32 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1zzv s PRO 77 Cb -0.07 -4.31 0.01 0.00 0.04 0.00 0.00 34.50 30.16 1zzv s PRO 77 CO 0.79 -2.46 0.16 1.63 0.04 0.00 0.00 177.00 177.15 1zzv n LYS 78 N 9.03 -2.59 -2.19 4.56 4.01 -1.26 -4.87 118.16 124.85 1zzv n LYS 78 Ca 0.18 0.85 -0.41 0.00 -0.51 0.00 0.00 58.31 58.42 1zzv n LYS 78 Cb 0.51 -5.54 0.00 0.00 -0.51 0.00 0.00 35.03 29.49 1zzv n LYS 78 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1zzv n GLU 79 N -3.22 4.37 0.00 1.97 2.13 -0.91 -5.27 120.64 119.70 1zzv n GLU 79 Ca -0.18 -3.62 0.00 0.00 0.66 0.00 0.00 57.16 54.02 1zzv n GLU 79 Cb 0.64 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1zzv n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25