#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 0.91 0.02 0.00 -2.07 -1.26 -4.23 119.66 113.03 1zzv s GLN 2 Ca 0.00 -0.45 0.03 0.00 -1.82 0.00 0.00 55.36 53.13 1zzv s GLN 2 Cb 0.00 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1zzv s GLN 2 CO 0.00 -0.41 -0.11 0.14 -1.32 0.00 0.00 175.29 173.59 1zzv s VAL 3 N -3.07 0.84 -0.36 3.63 -7.23 -0.49 -4.89 120.40 108.84 1zzv s VAL 3 Ca 0.10 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1zzv s VAL 3 Cb -0.00 -0.75 0.11 0.00 0.56 0.00 0.00 36.38 36.29 1zzv s VAL 3 CO -0.03 0.04 0.13 0.54 -0.31 0.00 0.00 175.10 175.48 1zzv s ASN 4 N -0.76 4.09 0.13 4.85 2.20 -1.26 -3.50 114.94 120.69 1zzv s ASN 4 Ca 0.01 -2.07 0.04 0.00 -0.94 0.00 0.00 52.86 49.89 1zzv s ASN 4 Cb -0.06 -1.10 -0.04 0.00 -2.00 0.00 0.00 41.25 38.05 1zzv s ASN 4 CO 0.00 -0.36 -0.09 -0.63 -2.94 0.00 0.00 177.10 173.08 1zzv s ILE 5 N 1.05 1.03 0.21 0.54 1.01 -0.70 -4.97 121.20 119.36 1zzv s ILE 5 Ca 0.12 -2.00 -0.23 0.00 0.00 0.00 0.00 60.65 58.55 1zzv s ILE 5 Cb -0.20 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1zzv s ILE 5 CO -0.14 -0.77 0.90 0.00 0.00 0.00 0.00 174.94 174.93 1zzv s ALA 6 N -3.35 -1.45 -0.09 9.38 0.00 -1.26 -3.04 121.76 121.95 1zzv s ALA 6 Ca 0.15 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 1zzv s ALA 6 Cb 0.03 0.71 -0.10 0.00 0.00 0.00 0.00 23.12 23.75 1zzv s ALA 6 CO -0.01 -1.04 0.65 -2.30 0.00 0.00 0.00 175.76 173.06 1zzv n PRO 7 N -0.51 0.00 0.00 0.00 -0.01 -1.15 -4.18 135.00 129.15 1zzv n PRO 7 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.44 1zzv n PRO 7 Cb 0.60 -0.79 0.00 0.00 -0.01 0.00 0.00 33.50 33.30 1zzv n PRO 7 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1zzv n GLY 8 N 1.21 2.91 3.72 -1.23 0.00 -1.06 -4.98 105.19 105.77 1zzv n GLY 8 Ca 0.12 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1zzv n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zzv n SER 9 N 0.00 3.67 0.12 1.61 2.88 -1.26 -0.05 113.62 120.58 1zzv n SER 9 Ca 0.00 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.78 1zzv n SER 9 Cb 0.00 -1.55 0.64 0.00 -0.75 0.00 0.00 64.21 62.55 1zzv n SER 9 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1zzv h LEU 10 N 5.39 0.05 -0.14 2.46 5.85 -0.62 -2.02 115.31 126.29 1zzv h LEU 10 Ca -0.45 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1zzv h LEU 10 Cb 1.23 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 1zzv h LEU 10 CO 0.84 0.03 -0.40 -0.78 -0.34 0.00 0.00 178.44 177.79 1zzv h ASP 11 N 0.06 -1.27 0.45 1.25 1.82 -1.42 0.16 116.42 117.47 1zzv h ASP 11 Ca 0.13 0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1zzv h ASP 11 Cb 0.44 0.52 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1zzv h ASP 11 CO -0.01 -0.41 -0.24 0.50 -1.61 0.00 0.00 179.24 177.46 1zzv h LYS 12 N -0.47 0.00 0.42 0.28 3.64 -1.67 -1.61 116.57 117.15 1zzv h LYS 12 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1zzv h LYS 12 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1zzv h LYS 12 CO -0.40 0.24 -0.20 0.00 -2.27 0.00 0.00 179.45 176.82 1zzv h ALA 13 N 1.76 -0.56 -0.62 5.00 0.00 -1.09 -0.52 119.26 123.24 1zzv h ALA 13 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1zzv h ALA 13 Cb 0.53 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1zzv h ALA 13 CO 0.03 -0.67 0.41 -0.07 0.00 0.00 0.00 179.25 178.95 1zzv h LEU 14 N -0.85 0.65 -0.98 0.00 3.38 -0.91 -1.26 115.31 115.34 1zzv h LEU 14 Ca -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1zzv h LEU 14 Cb 0.55 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1zzv h LEU 14 CO 0.09 0.45 0.53 -1.13 0.09 0.00 0.00 178.44 178.48 1zzv h ASN 15 N 0.76 1.10 -0.51 -0.43 -0.00 -1.15 -0.07 115.58 115.27 1zzv h ASN 15 Ca 0.24 -0.07 0.02 0.00 -0.00 0.00 0.00 56.30 56.49 1zzv h ASN 15 Cb 0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.04 1zzv h ASN 15 CO -0.06 0.85 0.31 -0.61 -0.00 0.00 0.00 177.43 177.92 1zzv h GLN 16 N 1.25 0.59 -0.28 6.67 5.75 0.09 -2.54 115.11 126.64 1zzv h GLN 16 Ca 0.32 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 1zzv h GLN 16 Cb -0.03 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1zzv h GLN 16 CO -0.06 0.39 -0.01 -0.92 -2.65 0.00 0.00 178.83 175.58 1zzv h TYR 17 N 0.61 0.56 -0.97 3.99 5.03 -0.90 -2.79 116.97 122.49 1zzv h TYR 17 Ca 0.21 -0.10 0.25 0.00 2.58 0.00 0.00 58.73 61.66 1zzv h TYR 17 Cb 0.02 -0.14 -0.07 0.00 1.55 0.00 0.00 36.73 38.09 1zzv h TYR 17 CO -0.07 0.67 0.66 0.00 -1.32 0.00 0.00 178.16 178.10 1zzv h ALA 18 N 0.82 2.44 0.00 1.82 0.00 -0.82 0.37 119.26 123.89 1zzv h ALA 18 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1zzv h ALA 18 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zzv h ALA 18 CO 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.50 1zzv n ALA 19 N -2.57 1.22 0.29 0.00 0.00 -0.97 -1.25 120.51 117.23 1zzv n ALA 19 Ca 0.22 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 1zzv n ALA 19 Cb 0.87 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 1zzv n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zzv h HIS 20 N 0.00 -1.20 0.00 0.00 -0.00 -0.38 -3.36 115.15 110.21 1zzv h HIS 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1zzv h HIS 20 Cb 0.08 0.46 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1zzv h HIS 20 CO 0.00 -0.60 -0.87 0.45 -0.00 0.00 0.00 177.93 176.91 1zzv n SER 21 N -5.10 2.04 -1.51 2.45 2.88 -1.20 -5.03 113.62 108.15 1zzv n SER 21 Ca -0.11 -0.29 -0.02 0.00 -1.33 0.00 0.00 58.87 57.12 1zzv n SER 21 Cb 0.41 1.18 0.01 0.00 -0.75 0.00 0.00 64.21 65.06 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 1.69 0.55 3.95 0.46 0.00 -0.38 -5.08 105.19 106.37 1zzv n GLY 22 Ca -0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.04 3.09 -0.51 1.61 -0.71 -1.23 -5.06 117.98 112.13 1zzv s PHE 23 Ca 0.03 -0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 55.47 1zzv s PHE 23 Cb -0.00 -1.88 0.04 0.00 -1.21 0.00 0.00 43.02 39.96 1zzv s PHE 23 CO 0.08 0.10 0.82 0.99 -1.34 0.00 0.00 175.22 175.87 1zzv s THR 24 N -2.19 4.58 -0.10 -4.49 2.01 -1.26 -4.96 115.64 109.23 1zzv s THR 24 Ca 0.43 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 1zzv s THR 24 Cb -0.08 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 1zzv s THR 24 CO 0.29 -0.92 0.42 -0.22 -0.69 0.00 0.00 174.62 173.50 1zzv s LEU 25 N 3.44 4.32 -0.81 4.42 0.20 -1.26 -1.14 118.68 127.85 1zzv s LEU 25 Ca 0.27 0.78 -0.17 0.00 0.69 0.00 0.00 54.13 55.70 1zzv s LEU 25 Cb -0.14 -2.59 0.16 0.00 -0.43 0.00 0.00 46.19 43.19 1zzv s LEU 25 CO 0.19 0.11 0.89 -0.44 -0.29 0.00 0.00 176.35 176.80 1zzv s SER 26 N 0.15 6.58 -0.01 3.68 0.01 -0.65 -4.95 113.70 118.51 1zzv s SER 26 Ca 0.23 -2.17 -0.07 0.00 1.31 0.00 0.00 55.95 55.25 1zzv s SER 26 Cb -0.15 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1zzv s SER 26 CO 0.10 -0.88 0.14 0.54 0.41 0.00 0.00 173.24 173.55 1zzv s VAL 27 N 1.66 0.07 -0.07 3.43 0.11 -1.26 -1.21 120.40 123.13 1zzv s VAL 27 Ca 0.22 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 1zzv s VAL 27 Cb -0.11 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1zzv s VAL 27 CO -0.06 -0.31 -0.10 -1.81 -3.33 0.00 0.00 175.10 169.49 1zzv s ASP 28 N -1.13 4.40 -0.31 3.54 1.01 -1.26 -5.01 116.67 117.90 1zzv s ASP 28 Ca -0.12 -0.10 -0.14 0.00 0.71 0.00 0.00 52.55 52.89 1zzv s ASP 28 Cb -0.06 -1.10 -0.15 0.00 1.01 0.00 0.00 42.92 42.61 1zzv s ASP 28 CO 0.01 0.34 1.55 0.00 0.21 0.00 0.00 175.17 177.29 1zzv n ALA 29 N 2.37 2.07 0.00 5.23 0.00 -1.26 -2.09 120.51 126.83 1zzv n ALA 29 Ca -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1zzv n ALA 29 Cb 0.53 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1zzv n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1zzv n SER 30 N 6.49 0.00 -0.23 0.00 3.41 -1.26 -4.79 113.62 117.23 1zzv n SER 30 Ca 0.31 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.85 1zzv n SER 30 Cb 0.22 0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.99 0.00 1.04 3.38 -1.85 -3.20 115.31 115.68 1zzv h LEU 31 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1zzv h LEU 31 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1zzv h LEU 31 CO 0.00 0.98 -1.06 0.35 0.09 0.00 0.00 178.44 178.79 1zzv n THR 32 N -4.29 0.00 -3.18 0.22 -2.24 -1.25 -4.88 114.28 98.66 1zzv n THR 32 Ca 0.04 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 1zzv n THR 32 Cb 0.26 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1zzv n THR 32 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1zzv s ARG 33 N -2.77 4.34 0.00 -0.78 3.52 -1.21 -1.30 118.95 120.74 1zzv s ARG 33 Ca 0.03 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1zzv s ARG 33 Cb 0.13 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1zzv s ARG 33 CO 0.71 0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.97 1zzv n GLY 34 N 2.45 2.99 3.72 8.12 0.00 -1.26 -4.69 105.19 116.51 1zzv n GLY 34 Ca -0.06 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1zzv n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zzv s LYS 35 N 0.00 4.54 0.28 1.61 0.00 -1.26 -4.89 119.74 120.02 1zzv s LYS 35 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 55.97 57.66 1zzv s LYS 35 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 37.83 34.44 1zzv s LYS 35 CO 0.00 -0.05 0.28 -0.65 0.00 0.00 0.00 175.35 174.92 1zzv s GLN 36 N 0.54 2.98 -0.02 1.78 -0.21 -1.26 -0.27 119.66 123.20 1zzv s GLN 36 Ca 0.53 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1zzv s GLN 36 Cb -0.26 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.13 1zzv s GLN 36 CO 0.30 0.29 -0.10 0.45 -2.12 0.00 0.00 175.29 174.12 1zzv s SER 37 N -3.94 1.26 0.00 5.90 0.15 0.92 -4.66 113.70 113.33 1zzv s SER 37 Ca 0.36 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.99 1zzv s SER 37 Cb -0.08 -0.30 1.00 0.00 -1.71 0.00 0.00 66.02 64.93 1zzv s SER 37 CO 0.27 0.08 1.43 0.59 1.20 0.00 0.00 173.24 176.81 1zzv n ASN 38 N 3.20 0.00 0.00 5.45 5.03 -1.26 -2.55 115.26 125.13 1zzv n ASN 38 Ca -0.17 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1zzv n ASN 38 Cb 0.55 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 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 0.08 -2.07 3.57 7.41 0.00 -1.26 -2.93 105.19 110.00 1zzv n GLY 39 Ca 0.12 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.68 -0.30 0.99 2.96 -1.17 -4.83 118.68 115.64 1zzv s LEU 40 Ca 0.00 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1zzv s LEU 40 Cb 0.00 2.48 0.13 0.00 0.50 0.00 0.00 46.19 49.30 1zzv s LEU 40 CO 0.00 -0.44 0.26 -2.28 -1.32 0.00 0.00 176.35 172.57 1zzv s HIS 41 N -0.50 -0.18 0.09 5.38 5.65 -1.26 -1.73 115.29 122.75 1zzv s HIS 41 Ca -0.06 -0.52 -0.12 0.00 0.25 0.00 0.00 55.06 54.61 1zzv s HIS 41 Cb -0.02 -0.59 0.04 0.00 -1.18 0.00 0.00 32.58 30.83 1zzv s HIS 41 CO 0.06 -0.90 0.58 0.41 -0.65 0.00 0.00 174.74 174.23 1zzv n GLY 42 N 5.07 0.87 3.45 1.59 0.00 -1.23 -4.97 105.19 109.98 1zzv n GLY 42 Ca -0.00 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.54 1zzv n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zzv s ASP 43 N -2.36 6.72 -0.00 1.61 3.68 -1.26 -1.39 116.67 123.67 1zzv s ASP 43 Ca 0.13 -2.25 0.06 0.00 2.13 0.00 0.00 52.55 52.61 1zzv s ASP 43 Cb -0.01 -2.39 -0.03 0.00 -1.45 0.00 0.00 42.92 39.04 1zzv s ASP 43 CO 0.03 -0.98 -0.18 -0.31 0.13 0.00 0.00 175.17 173.86 1zzv s TYR 44 N 2.36 2.57 0.77 -5.34 1.51 -1.26 -4.93 117.35 113.02 1zzv s TYR 44 Ca 0.34 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1zzv s TYR 44 Cb -0.05 -1.53 0.16 0.00 -0.11 0.00 0.00 41.96 40.43 1zzv s TYR 44 CO -0.08 0.18 1.05 -0.40 -1.11 0.00 0.00 175.55 175.19 1zzv n ASP 45 N 1.97 1.19 0.00 2.29 5.75 -1.26 -4.78 116.55 121.71 1zzv n ASP 45 Ca -0.16 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1zzv n ASP 45 Cb 0.52 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1zzv n ASP 45 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1zzv n VAL 46 N -3.00 0.00 -0.27 2.12 0.31 -1.26 -1.57 118.33 114.65 1zzv n VAL 46 Ca 0.17 1.40 -0.06 0.00 -0.01 0.00 0.00 64.34 65.84 1zzv n VAL 46 Cb 0.59 -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 1.05 -1.32 0.00 0.00 176.83 176.56 1zzv h GLU 47 N 0.00 1.08 -0.04 5.55 4.11 -1.96 -1.93 114.58 121.38 1zzv h GLU 47 Ca 0.00 -0.15 -0.19 0.00 0.07 0.00 0.00 59.36 59.09 1zzv h GLU 47 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1zzv h GLU 47 CO 0.00 0.83 -0.79 1.03 0.07 0.00 0.00 179.01 180.15 1zzv h SER 48 N 1.05 0.40 -0.08 3.06 0.87 -1.98 -2.75 113.55 114.14 1zzv h SER 48 Ca 0.26 -0.29 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 1zzv h SER 48 Cb 0.10 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1zzv h SER 48 CO -0.04 1.04 -0.77 1.23 -0.53 0.00 0.00 176.83 177.77 1zzv h GLY 49 N 1.44 0.73 1.59 5.77 0.00 -0.99 -3.09 103.07 108.53 1zzv h GLY 49 Ca -0.04 -1.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.07 1zzv h GLY 49 CO 0.13 1.00 -0.25 1.41 0.00 0.00 0.00 176.54 178.83 1zzv h LEU 50 N 0.31 0.47 -0.24 3.11 3.38 -1.41 -2.20 115.31 118.75 1zzv h LEU 50 Ca -0.07 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1zzv h LEU 50 Cb 1.42 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1zzv h LEU 50 CO 0.16 0.72 0.04 -0.61 0.09 0.00 0.00 178.44 178.84 1zzv h GLN 51 N 0.42 0.13 -0.39 1.13 5.75 -1.45 -1.63 115.11 119.06 1zzv h GLN 51 Ca 0.06 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1zzv h GLN 51 Cb 0.67 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1zzv h GLN 51 CO 0.05 0.09 -0.12 0.37 -2.65 0.00 0.00 178.83 176.57 1zzv h GLN 52 N 0.14 0.77 -0.96 1.69 5.75 -1.43 -2.10 115.11 118.98 1zzv h GLN 52 Ca 0.11 -0.31 0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1zzv h GLN 52 Cb 0.11 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.55 1zzv h GLN 52 CO -0.14 0.92 0.61 -0.07 -2.65 0.00 0.00 178.83 177.50 1zzv h LEU 53 N 0.58 0.96 -1.90 -2.39 3.38 -1.16 -2.60 115.31 112.19 1zzv h LEU 53 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1zzv h LEU 53 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1zzv h LEU 53 CO 0.04 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.36 1zzv n LEU 54 N -4.55 2.89 -4.61 1.67 4.32 -0.64 -4.85 117.00 111.23 1zzv n LEU 54 Ca 0.15 -1.11 -0.43 0.00 -0.02 0.00 0.00 56.01 54.60 1zzv n LEU 54 Cb 0.20 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1zzv n LEU 54 CO 0.31 0.56 1.73 -0.62 -1.22 0.00 0.00 177.39 178.15 1zzv s ASP 55 N -1.75 5.73 0.00 -1.43 2.15 -0.80 -0.73 116.67 119.85 1zzv s ASP 55 Ca 0.34 1.89 0.00 0.00 0.43 0.00 0.00 52.55 55.21 1zzv s ASP 55 Cb 0.21 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1zzv s ASP 55 CO 0.31 -1.74 0.00 0.61 -0.17 0.00 0.00 175.17 174.18 1zzv n GLY 56 N 5.45 0.38 0.04 2.66 0.00 -1.26 -4.91 105.19 107.55 1zzv n GLY 56 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1zzv n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zzv n SER 57 N 0.00 0.58 -0.31 1.61 7.64 0.09 -4.92 113.62 118.30 1zzv n SER 57 Ca 0.00 0.06 -0.04 0.00 1.01 0.00 0.00 58.87 59.90 1zzv n SER 57 Cb 0.00 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1zzv n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzv n GLY 58 N 1.40 0.68 3.48 0.23 0.00 -1.25 -5.02 105.19 104.71 1zzv n GLY 58 Ca 0.04 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.92 2.55 -0.15 0.99 1.43 -1.26 -2.69 118.68 118.62 1zzv s LEU 59 Ca 0.00 -1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 51.81 1zzv s LEU 59 Cb 0.00 -0.72 0.08 0.00 0.03 0.00 0.00 46.19 45.58 1zzv s LEU 59 CO 0.00 -0.36 0.29 -1.58 0.23 0.00 0.00 176.35 174.93 1zzv s GLN 60 N -3.72 0.19 -0.16 1.70 2.00 -0.90 -4.81 119.66 113.96 1zzv s GLN 60 Ca 0.32 0.74 -0.18 0.00 -2.00 0.00 0.00 55.36 54.24 1zzv s GLN 60 Cb 0.05 -0.09 -0.04 0.00 0.80 0.00 0.00 33.01 33.73 1zzv s GLN 60 CO 0.14 -0.33 0.50 0.08 -0.50 0.00 0.00 175.29 175.18 1zzv s VAL 61 N 2.45 5.15 -0.13 1.34 1.01 -1.26 -0.52 120.40 128.44 1zzv s VAL 61 Ca 0.02 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1zzv s VAL 61 Cb -0.13 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1zzv s VAL 61 CO -0.10 0.25 -0.18 -0.75 0.00 0.00 0.00 175.10 174.33 1zzv s LYS 62 N 1.10 3.20 0.05 2.72 2.20 0.07 -4.94 119.74 124.13 1zzv s LYS 62 Ca 0.25 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 1zzv s LYS 62 Cb -0.15 -2.51 -0.09 0.00 -1.51 0.00 0.00 37.83 33.56 1zzv s LYS 62 CO 0.10 0.12 1.96 -2.14 -0.36 0.00 0.00 175.35 175.02 1zzv s PRO 63 N 0.55 4.14 -0.00 4.03 0.02 -1.26 -0.33 135.00 142.15 1zzv s PRO 63 Ca -0.11 2.62 -0.25 0.00 0.02 0.00 0.00 61.00 63.28 1zzv s PRO 63 Cb -0.16 -4.09 -0.19 0.00 0.02 0.00 0.00 34.50 30.08 1zzv s PRO 63 CO 0.04 -0.94 1.33 1.25 -0.33 0.00 0.00 177.00 178.35 1zzv h LEU 64 N 10.37 -0.04 0.00 -5.54 7.12 -0.72 -3.46 115.31 123.04 1zzv h LEU 64 Ca -0.49 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.14 1zzv h LEU 64 Cb 1.24 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1zzv h LEU 64 CO 0.94 0.37 0.00 0.61 -0.13 0.00 0.00 178.44 180.23 1zzv n GLY 65 N -0.02 2.01 2.43 3.75 0.00 -1.23 -5.01 105.19 107.12 1zzv n GLY 65 Ca -0.08 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1zzv n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1zzv n ASN 66 N 0.00 7.80 -3.62 1.61 3.02 -1.26 -4.62 115.26 118.19 1zzv n ASN 66 Ca 0.00 -3.02 -0.27 0.00 -0.03 0.00 0.00 54.58 51.26 1zzv n ASN 66 Cb 0.00 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.79 1zzv n ASN 66 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1zzv n ASN 67 N 1.96 -4.12 -3.39 6.41 5.15 -1.26 -4.94 115.26 115.07 1zzv n ASN 67 Ca 0.62 -0.58 -0.18 0.00 -0.60 0.00 0.00 54.58 53.84 1zzv n ASN 67 Cb 0.32 -3.36 -0.08 0.00 -0.53 0.00 0.00 39.78 36.14 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 -2.96 1.48 0.21 1.20 0.01 -1.26 -4.28 113.70 108.10 1zzv s SER 68 Ca 0.52 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.09 1zzv s SER 68 Cb -0.27 0.56 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1zzv s SER 68 CO 0.64 -1.09 0.06 0.26 0.41 0.00 0.00 173.24 173.52 1zzv s TRP 69 N -3.43 1.32 -0.02 2.43 0.51 -0.29 -0.05 118.94 119.42 1zzv s TRP 69 Ca 0.39 -1.14 -0.02 0.00 -2.12 0.00 0.00 56.10 53.22 1zzv s TRP 69 Cb 0.02 -0.75 0.01 0.00 -0.81 0.00 0.00 33.47 31.93 1zzv s TRP 69 CO 0.26 -0.33 0.05 -0.08 -0.51 0.00 0.00 176.95 176.34 1zzv s THR 70 N -3.77 -0.00 -0.54 2.01 -1.32 0.56 -1.64 115.64 110.94 1zzv s THR 70 Ca 0.31 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.60 1zzv s THR 70 Cb 0.07 -0.08 0.06 0.00 -1.51 0.00 0.00 72.50 71.05 1zzv s THR 70 CO 0.09 0.00 0.72 -0.22 -2.21 0.00 0.00 174.62 173.00 1zzv s LEU 71 N 0.05 4.82 -0.26 9.08 2.96 -0.35 -0.75 118.68 134.23 1zzv s LEU 71 Ca -0.00 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.80 1zzv s LEU 71 Cb -0.01 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 1zzv s LEU 71 CO -0.00 -1.03 0.67 -1.61 -1.32 0.00 0.00 176.35 173.06 1zzv s GLU 72 N 2.99 4.10 -0.22 1.98 0.41 0.32 -4.97 118.70 123.31 1zzv s GLU 72 Ca 0.18 0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 55.05 1zzv s GLU 72 Cb -0.19 -3.66 -0.03 0.00 -1.78 0.00 0.00 34.13 28.47 1zzv s GLU 72 CO 0.12 -0.46 1.79 -2.14 -0.49 0.00 0.00 175.26 174.08 1zzv s PRO 73 N 2.60 3.63 -0.50 0.39 0.02 -1.26 -2.12 135.00 137.76 1zzv s PRO 73 Ca 0.28 1.77 0.06 0.00 0.02 0.00 0.00 61.00 63.13 1zzv s PRO 73 Cb -0.15 -4.14 0.20 0.00 0.02 0.00 0.00 34.50 30.43 1zzv s PRO 73 CO 0.09 -1.51 0.78 0.00 -0.33 0.00 0.00 177.00 176.03 1zzv n ALA 74 N 9.26 -1.96 -0.22 -1.55 0.00 -1.25 -4.96 120.51 119.83 1zzv n ALA 74 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1zzv n ALA 74 Cb 0.45 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 2.69 0.00 -3.20 0.00 -0.04 -1.09 -4.23 135.00 129.12 1zzv n PRO 75 Ca 0.16 0.39 -0.23 0.00 -0.04 0.00 0.00 63.50 63.78 1zzv n PRO 75 Cb 0.58 -0.91 -0.06 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.67 2.59 0.44 0.55 0.00 -1.26 -4.73 120.51 116.43 1zzv n ALA 76 Ca 0.00 -3.61 0.11 0.00 0.00 0.00 0.00 53.44 49.94 1zzv n ALA 76 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.60 1zzv n ALA 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1zzv n PRO 77 N 0.93 0.37 -1.10 0.00 -0.04 -1.26 -4.19 135.00 129.71 1zzv n PRO 77 Ca 0.24 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1zzv n PRO 77 Cb 0.55 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1zzv n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1zzv n LYS 78 N -2.11 0.00 -0.09 0.54 5.02 -1.26 -4.89 118.16 115.37 1zzv n LYS 78 Ca 0.01 -1.48 -0.20 0.00 -2.02 0.00 0.00 58.31 54.62 1zzv n LYS 78 Cb 0.47 -0.09 -0.12 0.00 -0.02 0.00 0.00 35.03 35.27 1zzv n LYS 78 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1zzv n GLU 79 N 0.27 0.68 0.00 1.97 -0.58 -1.26 -5.26 120.64 116.46 1zzv n GLU 79 Ca 0.00 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1zzv n GLU 79 Cb 0.93 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1zzv n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18