#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 4.40 -0.18 0.00 -2.07 -1.26 -2.32 119.66 118.23 1zzv s GLN 2 Ca 0.00 0.89 -0.08 0.00 -1.82 0.00 0.00 55.36 54.35 1zzv s GLN 2 Cb 0.00 -3.35 -0.04 0.00 -1.09 0.00 0.00 33.01 28.53 1zzv s GLN 2 CO 0.00 0.33 0.10 0.08 -1.32 0.00 0.00 175.29 174.49 1zzv s VAL 3 N -0.15 5.16 -0.22 3.63 1.01 0.48 -4.96 120.40 125.34 1zzv s VAL 3 Ca 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 1zzv s VAL 3 Cb -0.19 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1zzv s VAL 3 CO 0.20 0.48 -0.01 0.54 0.00 0.00 0.00 175.10 176.31 1zzv s ASN 4 N 0.13 3.49 -0.07 3.32 6.03 -1.24 -2.98 114.94 123.61 1zzv s ASN 4 Ca 0.07 -1.06 0.01 0.00 -1.03 0.00 0.00 52.86 50.85 1zzv s ASN 4 Cb -0.12 -0.93 0.02 0.00 -3.03 0.00 0.00 41.25 37.19 1zzv s ASN 4 CO -0.00 -0.27 -0.08 -0.63 -2.03 0.00 0.00 177.10 174.08 1zzv s ILE 5 N 1.59 0.88 0.67 0.54 1.01 -0.65 -4.97 121.20 120.27 1zzv s ILE 5 Ca -0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1zzv s ILE 5 Cb -0.18 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1zzv s ILE 5 CO -0.08 0.31 1.05 0.00 0.00 0.00 0.00 174.94 176.23 1zzv s ALA 6 N 1.05 2.79 0.00 9.38 0.00 -1.26 -2.86 121.76 130.85 1zzv s ALA 6 Ca -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1zzv s ALA 6 Cb -0.14 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 1zzv s ALA 6 CO -0.01 -1.07 1.99 -0.35 0.00 0.00 0.00 175.76 176.33 1zzv n PRO 7 N -2.98 0.96 0.00 0.00 -0.04 -1.21 -4.17 135.00 127.55 1zzv n PRO 7 Ca 0.07 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1zzv n PRO 7 Cb 0.54 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.75 4.55 3.69 0.55 0.00 -0.98 -4.67 105.19 111.07 1zzv n GLY 8 Ca 0.20 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1zzv n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzv s SER 9 N 0.68 6.51 0.36 1.61 1.04 -1.26 0.52 113.70 123.16 1zzv s SER 9 Ca 0.00 2.63 0.08 0.00 0.48 0.00 0.00 55.95 59.15 1zzv s SER 9 Cb 0.00 -2.57 0.68 0.00 0.10 0.00 0.00 66.02 64.23 1zzv s SER 9 CO 0.00 -0.94 1.85 0.25 0.98 0.00 0.00 173.24 175.38 1zzv h LEU 10 N 8.47 0.26 -0.27 2.42 5.85 -0.50 -1.57 115.31 129.97 1zzv h LEU 10 Ca -0.44 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.28 1zzv h LEU 10 Cb 1.21 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 1zzv h LEU 10 CO 0.94 0.47 -0.28 0.44 -0.34 0.00 0.00 178.44 179.67 1zzv h ASP 11 N 0.25 -0.91 0.59 1.25 3.45 -1.90 0.27 116.42 119.42 1zzv h ASP 11 Ca 0.05 0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.60 1zzv h ASP 11 Cb 0.49 0.42 -0.01 0.00 -0.56 0.00 0.00 39.33 39.66 1zzv h ASP 11 CO 0.03 -0.31 -0.29 0.50 -1.57 0.00 0.00 179.24 177.60 1zzv h LYS 12 N -0.28 0.00 0.20 3.56 3.64 -1.81 -2.76 116.57 119.12 1zzv h LYS 12 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1zzv h LYS 12 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1zzv h LYS 12 CO -0.43 0.29 -0.10 0.00 -2.27 0.00 0.00 179.45 176.95 1zzv h ALA 13 N 1.71 -0.27 -0.69 5.00 0.00 -0.06 -0.97 119.26 123.98 1zzv h ALA 13 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1zzv h ALA 13 Cb 0.67 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1zzv h ALA 13 CO 0.04 -0.47 0.39 -0.07 0.00 0.00 0.00 179.25 179.15 1zzv h LEU 14 N -0.63 0.59 -1.53 0.00 3.38 -0.55 -1.54 115.31 115.02 1zzv h LEU 14 Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1zzv h LEU 14 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1zzv h LEU 14 CO 0.04 0.39 0.01 -1.13 0.09 0.00 0.00 178.44 177.85 1zzv h ASN 15 N 0.73 0.29 -0.41 -0.43 -1.24 -1.42 0.41 115.58 113.50 1zzv h ASN 15 Ca 0.30 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1zzv h ASN 15 Cb 0.17 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1zzv h ASN 15 CO -0.17 0.33 0.20 -0.61 -1.29 0.00 0.00 177.43 175.89 1zzv h GLN 16 N 0.31 0.58 -0.25 6.67 -0.00 -0.15 -0.99 115.11 121.29 1zzv h GLN 16 Ca 0.07 -0.08 -0.16 0.00 -0.00 0.00 0.00 58.65 58.48 1zzv h GLN 16 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.56 1zzv h GLN 16 CO 0.00 0.50 -0.48 -0.92 0.00 0.00 0.00 178.83 177.93 1zzv h TYR 17 N 0.52 0.96 -0.10 3.99 -0.00 -0.98 -2.69 116.97 118.67 1zzv h TYR 17 Ca 0.14 -0.35 0.04 0.00 -0.00 0.00 0.00 58.73 58.57 1zzv h TYR 17 Cb 0.10 -0.18 -0.05 0.00 -0.00 0.00 0.00 36.73 36.60 1zzv h TYR 17 CO -0.02 1.15 -0.23 0.00 -0.00 0.00 0.00 178.16 179.06 1zzv h ALA 18 N 0.64 -0.23 0.00 1.82 0.00 -0.81 -1.71 119.26 118.98 1zzv h ALA 18 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zzv h ALA 18 Cb 1.09 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1zzv h ALA 18 CO 0.11 -0.70 -0.14 0.00 0.00 0.00 0.00 179.25 178.51 1zzv h ALA 19 N 0.62 1.39 -0.34 0.00 0.00 -1.20 0.62 119.26 120.36 1zzv h ALA 19 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1zzv h ALA 19 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1zzv h ALA 19 CO -0.28 0.18 0.07 1.25 0.00 0.00 0.00 179.25 180.47 1zzv h HIS 20 N 0.00 0.58 -0.01 0.00 6.17 -0.96 -3.13 115.15 117.80 1zzv h HIS 20 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1zzv h HIS 20 Cb 0.34 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.10 1zzv h HIS 20 CO 0.00 0.60 -0.67 0.43 0.71 0.00 0.00 177.93 179.00 1zzv n SER 21 N -4.61 1.53 -2.47 3.26 7.64 -1.11 -5.00 113.62 112.85 1zzv n SER 21 Ca -0.02 -1.26 -0.12 0.00 1.01 0.00 0.00 58.87 58.48 1zzv n SER 21 Cb 0.20 0.70 0.05 0.00 -1.01 0.00 0.00 64.21 64.16 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 1.42 -0.03 3.75 0.23 0.00 0.19 -5.05 105.19 105.69 1zzv n GLY 22 Ca 0.07 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.22 2.90 -0.25 1.61 -0.71 -1.08 -5.04 117.98 112.19 1zzv s PHE 23 Ca 0.11 -0.19 -0.22 0.00 -1.04 0.00 0.00 56.93 55.59 1zzv s PHE 23 Cb -0.05 -1.36 -0.01 0.00 -1.21 0.00 0.00 43.02 40.39 1zzv s PHE 23 CO 0.45 0.53 0.70 0.99 -1.34 0.00 0.00 175.22 176.54 1zzv s THR 24 N -2.25 4.93 -0.25 -4.49 2.01 -1.25 -4.76 115.64 109.58 1zzv s THR 24 Ca 0.33 1.26 -0.15 0.00 0.31 0.00 0.00 61.69 63.44 1zzv s THR 24 Cb -0.07 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1zzv s THR 24 CO 0.23 -0.02 0.36 -0.76 -0.69 0.00 0.00 174.62 173.74 1zzv s LEU 25 N 2.63 4.06 -0.67 4.42 2.01 -1.26 -1.56 118.68 128.30 1zzv s LEU 25 Ca 0.29 0.32 -0.11 0.00 0.01 0.00 0.00 54.13 54.64 1zzv s LEU 25 Cb -0.15 -2.42 0.17 0.00 0.01 0.00 0.00 46.19 43.80 1zzv s LEU 25 CO 0.08 -0.15 0.57 -0.44 1.01 0.00 0.00 176.35 177.43 1zzv s SER 26 N 1.49 6.12 -0.01 2.29 0.01 0.42 -4.96 113.70 119.05 1zzv s SER 26 Ca 0.15 -2.47 0.00 0.00 1.31 0.00 0.00 55.95 54.94 1zzv s SER 26 Cb -0.15 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1zzv s SER 26 CO 0.09 -0.58 0.01 0.54 0.41 0.00 0.00 173.24 173.71 1zzv s VAL 27 N 0.52 -0.01 -0.30 3.43 0.11 -1.26 -2.29 120.40 120.59 1zzv s VAL 27 Ca 0.13 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.10 1zzv s VAL 27 Cb -0.18 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1zzv s VAL 27 CO -0.04 0.05 0.53 -0.62 -3.33 0.00 0.00 175.10 171.69 1zzv s ASP 28 N 0.53 6.39 -0.77 3.54 2.15 -1.26 -4.98 116.67 122.28 1zzv s ASP 28 Ca -0.05 0.29 -0.27 0.00 0.43 0.00 0.00 52.55 52.95 1zzv s ASP 28 Cb -0.07 -2.28 -0.26 0.00 -0.30 0.00 0.00 42.92 40.01 1zzv s ASP 28 CO -0.01 -0.40 1.94 0.00 -0.17 0.00 0.00 175.17 176.53 1zzv n ALA 29 N 5.69 0.68 0.01 3.66 0.00 -1.26 -3.04 120.51 126.25 1zzv n ALA 29 Ca -0.04 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.91 1zzv n ALA 29 Cb 0.49 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1zzv n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zzv n SER 30 N 15.78 -0.14 -0.17 0.00 7.64 -1.26 -4.85 113.62 130.62 1zzv n SER 30 Ca 0.44 0.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.26 1zzv n SER 30 Cb 0.45 0.60 0.01 0.00 -1.01 0.00 0.00 64.21 64.26 1zzv n SER 30 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1zzv h LEU 31 N 0.00 0.67 -5.75 -3.43 3.38 -1.98 -2.96 115.31 105.24 1zzv h LEU 31 Ca 0.00 -0.15 -0.75 0.00 0.09 0.00 0.00 57.88 57.07 1zzv h LEU 31 Cb 0.00 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 40.40 1zzv h LEU 31 CO 0.00 0.64 1.81 0.35 0.09 0.00 0.00 178.44 181.33 1zzv n THR 32 N -4.58 5.36 -3.56 0.22 -2.24 -1.26 -4.92 114.28 103.31 1zzv n THR 32 Ca 0.02 -4.78 -0.41 0.00 -2.27 0.00 0.00 64.05 56.61 1zzv n THR 32 Cb 0.14 -1.85 -0.11 0.00 -2.10 0.00 0.00 70.33 66.41 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 -2.31 3.08 -0.82 -0.78 6.06 -1.12 -4.54 118.95 118.51 1zzv s ARG 33 Ca 0.49 -0.92 -0.02 0.00 -2.50 0.00 0.00 55.73 52.78 1zzv s ARG 33 Cb 0.21 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.44 1zzv s ARG 33 CO -0.12 -0.62 0.29 0.41 -2.50 0.00 0.00 175.30 172.76 1zzv n GLY 34 N 5.06 0.04 3.76 8.12 0.00 -1.26 -4.99 105.19 115.92 1zzv n GLY 34 Ca -0.12 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.08 4.75 -0.02 1.61 3.01 -1.26 -4.97 119.74 117.77 1zzv s LYS 35 Ca 0.14 1.38 0.01 0.00 -1.01 0.00 0.00 55.97 56.49 1zzv s LYS 35 Cb -0.06 -3.22 0.02 0.00 -1.01 0.00 0.00 37.83 33.55 1zzv s LYS 35 CO 0.18 0.51 -0.01 -0.65 0.51 0.00 0.00 175.35 175.89 1zzv s GLN 36 N -1.28 0.22 -0.05 1.68 -0.21 -1.26 0.22 119.66 118.97 1zzv s GLN 36 Ca 0.41 0.02 0.04 0.00 0.02 0.00 0.00 55.36 55.85 1zzv s GLN 36 Cb -0.24 -0.33 -0.00 0.00 1.00 0.00 0.00 33.01 33.43 1zzv s GLN 36 CO 0.30 -0.06 -0.19 0.45 -2.12 0.00 0.00 175.29 173.67 1zzv s SER 37 N 0.57 2.42 0.33 5.90 0.15 0.19 -4.65 113.70 118.59 1zzv s SER 37 Ca -0.05 -0.40 0.22 0.00 0.70 0.00 0.00 55.95 56.41 1zzv s SER 37 Cb -0.08 -0.77 1.19 0.00 -1.71 0.00 0.00 66.02 64.66 1zzv s SER 37 CO -0.01 0.16 1.67 0.59 1.20 0.00 0.00 173.24 176.85 1zzv n ASN 38 N 3.22 0.57 0.00 5.45 5.03 -1.26 -2.33 115.26 125.94 1zzv n ASN 38 Ca -0.19 0.77 0.00 0.00 0.87 0.00 0.00 54.58 56.03 1zzv n ASN 38 Cb 0.53 -0.84 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 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 -1.28 1.24 3.64 7.41 0.00 -1.26 -3.36 105.19 111.57 1zzv n GLY 39 Ca -0.01 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.09 -0.29 0.99 2.96 -1.14 -4.97 118.68 115.14 1zzv s LEU 40 Ca 0.00 1.53 -0.01 0.00 -0.22 0.00 0.00 54.13 55.43 1zzv s LEU 40 Cb 0.00 2.30 0.13 0.00 0.50 0.00 0.00 46.19 49.11 1zzv s LEU 40 CO 0.00 -0.22 0.25 -2.28 -1.32 0.00 0.00 176.35 172.79 1zzv s HIS 41 N 2.63 -0.26 0.15 5.38 5.65 -1.25 -1.63 115.29 125.96 1zzv s HIS 41 Ca -0.07 -0.36 -0.23 0.00 0.25 0.00 0.00 55.06 54.65 1zzv s HIS 41 Cb -0.10 -0.57 0.08 0.00 -1.18 0.00 0.00 32.58 30.80 1zzv s HIS 41 CO -0.19 -0.90 1.07 0.20 -0.65 0.00 0.00 174.74 174.27 1zzv s GLY 42 N 2.28 0.05 -0.40 1.59 0.00 -1.16 -4.95 107.32 104.73 1zzv s GLY 42 Ca 0.09 -0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.31 1zzv s GLY 42 CO -0.34 2.59 1.01 -0.35 0.00 0.00 0.00 173.10 176.01 1zzv s ASP 43 N -3.41 6.69 -0.06 1.64 2.15 -1.26 -0.39 116.67 122.03 1zzv s ASP 43 Ca 0.22 0.58 0.02 0.00 0.43 0.00 0.00 52.55 53.80 1zzv s ASP 43 Cb -0.02 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1zzv s ASP 43 CO 0.04 -0.99 -0.12 -0.31 -0.17 0.00 0.00 175.17 173.62 1zzv s TYR 44 N 3.80 1.42 0.84 -5.34 1.51 -0.98 -5.00 117.35 113.59 1zzv s TYR 44 Ca 0.42 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1zzv s TYR 44 Cb -0.10 -1.03 0.10 0.00 -0.11 0.00 0.00 41.96 40.81 1zzv s TYR 44 CO 0.22 -0.25 1.11 0.34 -1.11 0.00 0.00 175.55 175.87 1zzv s ASP 45 N 0.56 3.81 0.10 2.29 2.15 -1.26 -4.72 116.67 119.59 1zzv s ASP 45 Ca -0.12 1.94 -0.30 0.00 0.43 0.00 0.00 52.55 54.50 1zzv s ASP 45 Cb -0.15 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 39.84 1zzv s ASP 45 CO 0.03 -2.50 1.49 0.58 -0.17 0.00 0.00 175.17 174.60 1zzv h VAL 46 N -1.45 0.00 -0.73 1.11 2.07 -2.00 0.80 116.25 116.05 1zzv h VAL 46 Ca -0.44 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1zzv h VAL 46 Cb 1.25 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1zzv h VAL 46 CO 0.48 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.95 1zzv h GLU 47 N -0.54 1.14 -0.01 1.57 5.08 -2.00 -2.97 114.58 116.85 1zzv h GLU 47 Ca 0.02 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 1zzv h GLU 47 Cb 0.61 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1zzv h GLU 47 CO -0.36 0.99 -0.55 1.03 -1.00 0.00 0.00 179.01 179.11 1zzv h SER 48 N 1.09 0.04 0.79 1.42 0.87 -1.74 -0.33 113.55 115.68 1zzv h SER 48 Ca 0.23 -0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.53 1zzv h SER 48 Cb 0.33 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1zzv h SER 48 CO -0.00 0.58 -1.18 1.23 -0.53 0.00 0.00 176.83 176.93 1zzv h GLY 49 N 1.62 0.13 1.08 5.77 0.00 -0.82 -2.96 103.07 107.88 1zzv h GLY 49 Ca -0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 47.33 46.70 1zzv h GLY 49 CO 0.07 0.28 -1.35 0.17 0.00 0.00 0.00 176.54 175.71 1zzv h LEU 50 N 0.03 0.74 -1.08 3.11 8.10 -1.36 -3.07 115.31 121.77 1zzv h LEU 50 Ca -0.09 -0.93 0.14 0.00 0.11 0.00 0.00 57.88 57.11 1zzv h LEU 50 Cb 1.88 -0.24 -0.08 0.00 -0.44 0.00 0.00 40.66 41.77 1zzv h LEU 50 CO 0.15 1.65 0.62 -0.61 -4.11 0.00 0.00 178.44 176.14 1zzv h GLN 51 N 0.01 0.86 -0.27 0.17 4.15 -1.16 -1.78 115.11 117.09 1zzv h GLN 51 Ca -0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1zzv h GLN 51 Cb 2.04 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.52 1zzv h GLN 51 CO 0.24 0.57 0.11 0.37 -1.93 0.00 0.00 178.83 178.19 1zzv h GLN 52 N 0.88 0.41 -0.03 1.69 5.75 -1.53 -2.22 115.11 120.06 1zzv h GLN 52 Ca 0.50 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.93 1zzv h GLN 52 Cb 0.61 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1zzv h GLN 52 CO -0.27 0.43 0.09 -0.07 -2.65 0.00 0.00 178.83 176.36 1zzv h LEU 53 N 0.30 0.00 -0.77 -2.39 3.38 -1.24 -1.59 115.31 112.98 1zzv h LEU 53 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1zzv h LEU 53 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1zzv h LEU 53 CO -0.01 0.00 -0.33 -0.07 0.09 0.00 0.00 178.44 178.12 1zzv h LEU 54 N 0.00 0.00 -8.93 1.67 3.38 -0.88 -3.44 115.31 107.11 1zzv h LEU 54 Ca 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.42 1zzv h LEU 54 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1zzv h LEU 54 CO -0.00 0.33 1.05 -0.62 0.09 0.00 0.00 178.44 179.29 1zzv s ASP 55 N -6.33 6.47 0.00 -0.43 2.15 -0.60 -2.61 116.67 115.32 1zzv s ASP 55 Ca 0.01 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.23 1zzv s ASP 55 Cb 0.10 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1zzv s ASP 55 CO 0.68 -1.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 1zzv n GLY 56 N 4.65 1.30 3.74 2.66 0.00 -1.26 -5.08 105.19 111.20 1zzv n GLY 56 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1zzv n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzv s SER 57 N -1.23 4.15 -0.33 1.61 1.04 -1.07 -5.05 113.70 112.81 1zzv s SER 57 Ca 0.00 -1.46 0.07 0.00 0.48 0.00 0.00 55.95 55.04 1zzv s SER 57 Cb 0.00 0.14 0.49 0.00 0.10 0.00 0.00 66.02 66.75 1zzv s SER 57 CO 0.00 -0.73 1.47 0.61 0.98 0.00 0.00 173.24 175.56 1zzv n GLY 58 N -1.24 5.35 3.78 7.32 0.00 -1.26 -4.99 105.19 114.15 1zzv n GLY 58 Ca -0.11 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.40 2.23 -0.17 0.99 1.43 -1.26 -3.51 118.68 114.99 1zzv s LEU 59 Ca 0.48 -1.69 -0.06 0.00 -1.03 0.00 0.00 54.13 51.84 1zzv s LEU 59 Cb 0.42 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 46.01 1zzv s LEU 59 CO 0.00 -0.90 0.35 -1.58 0.23 0.00 0.00 176.35 174.45 1zzv s GLN 60 N -3.90 0.25 -0.17 1.70 0.74 -1.20 -4.79 119.66 112.29 1zzv s GLN 60 Ca 0.02 0.87 -0.17 0.00 0.05 0.00 0.00 55.36 56.13 1zzv s GLN 60 Cb 0.01 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 1zzv s GLN 60 CO 0.01 -0.30 0.45 0.08 -0.55 0.00 0.00 175.29 174.98 1zzv s VAL 61 N 2.53 5.17 -0.05 1.34 1.01 -1.26 -2.64 120.40 126.50 1zzv s VAL 61 Ca 0.01 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1zzv s VAL 61 Cb -0.12 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1zzv s VAL 61 CO -0.11 0.26 -0.17 -0.54 0.00 0.00 0.00 175.10 174.54 1zzv s LYS 62 N 1.16 1.82 -0.10 2.72 1.02 -0.71 -4.95 119.74 120.70 1zzv s LYS 62 Ca 0.22 -0.59 -0.33 0.00 0.02 0.00 0.00 55.97 55.30 1zzv s LYS 62 Cb -0.15 -1.56 -0.10 0.00 -0.52 0.00 0.00 37.83 35.50 1zzv s LYS 62 CO 0.09 0.21 1.98 -2.30 -0.92 0.00 0.00 175.35 174.40 1zzv n PRO 63 N 3.25 2.20 -0.28 -1.68 -0.02 -1.26 -0.24 135.00 136.97 1zzv n PRO 63 Ca -0.19 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 1zzv n PRO 63 Cb 0.53 -2.78 0.11 0.00 -0.02 0.00 0.00 33.50 31.33 1zzv n PRO 63 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1zzv h LEU 64 N 10.55 0.80 0.00 2.45 5.85 -0.33 -3.46 115.31 131.17 1zzv h LEU 64 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1zzv h LEU 64 Cb 1.27 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1zzv h LEU 64 CO 0.96 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 180.20 1zzv n GLY 65 N -1.31 -2.40 0.00 3.75 0.00 -1.26 -5.02 105.19 98.95 1zzv n GLY 65 Ca 0.10 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.17 0.00 -2.73 1.61 5.15 -1.26 -4.75 115.26 113.11 1zzv n ASN 66 Ca 0.00 0.67 -0.08 0.00 -0.60 0.00 0.00 54.58 54.56 1zzv n ASN 66 Cb 0.00 -0.20 0.09 0.00 -0.53 0.00 0.00 39.78 39.14 1zzv n ASN 66 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1zzv n ASN 67 N -1.10 -1.38 -3.53 1.20 5.15 -1.26 -5.13 115.26 109.22 1zzv n ASN 67 Ca 0.00 -2.84 -0.20 0.00 -0.60 0.00 0.00 54.58 50.93 1zzv n ASN 67 Cb 0.00 0.93 -0.08 0.00 -0.53 0.00 0.00 39.78 40.10 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 -1.56 1.84 0.08 1.20 0.01 -1.26 -3.90 113.70 110.10 1zzv s SER 68 Ca 0.24 -1.73 0.01 0.00 1.31 0.00 0.00 55.95 55.78 1zzv s SER 68 Cb 0.38 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 1zzv s SER 68 CO -0.06 -1.03 -0.06 0.26 0.41 0.00 0.00 173.24 172.75 1zzv s TRP 69 N -3.43 0.77 0.00 2.43 0.51 -0.60 0.38 118.94 119.00 1zzv s TRP 69 Ca 0.37 -0.81 -0.04 0.00 -2.12 0.00 0.00 56.10 53.50 1zzv s TRP 69 Cb 0.02 -0.46 -0.00 0.00 -0.81 0.00 0.00 33.47 32.22 1zzv s TRP 69 CO 0.25 -0.16 0.07 -0.08 -0.51 0.00 0.00 176.95 176.51 1zzv s THR 70 N -3.01 0.07 -0.55 2.01 -1.32 0.67 -0.44 115.64 113.07 1zzv s THR 70 Ca 0.05 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.71 1zzv s THR 70 Cb 0.01 -0.31 0.08 0.00 -1.51 0.00 0.00 72.50 70.77 1zzv s THR 70 CO -0.04 -0.34 0.70 -0.76 -2.21 0.00 0.00 174.62 171.97 1zzv s LEU 71 N -1.10 5.02 -0.16 9.08 2.01 -0.97 -1.74 118.68 130.83 1zzv s LEU 71 Ca -0.12 -1.08 -0.05 0.00 0.01 0.00 0.00 54.13 52.88 1zzv s LEU 71 Cb -0.07 -2.41 -0.03 0.00 0.01 0.00 0.00 46.19 43.68 1zzv s LEU 71 CO 0.00 -1.05 0.01 -1.61 1.01 0.00 0.00 176.35 174.72 1zzv s GLU 72 N 2.86 3.72 -0.15 1.70 2.02 -1.08 -4.93 118.70 122.84 1zzv s GLU 72 Ca 0.15 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 1zzv s GLU 72 Cb -0.20 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 1zzv s GLU 72 CO 0.10 0.33 1.91 -2.14 0.02 0.00 0.00 175.26 175.47 1zzv s PRO 73 N 0.18 3.68 -0.39 0.39 0.02 -1.26 -3.25 135.00 134.36 1zzv s PRO 73 Ca 0.02 2.04 0.10 0.00 0.02 0.00 0.00 61.00 63.18 1zzv s PRO 73 Cb -0.13 -4.18 0.31 0.00 0.02 0.00 0.00 34.50 30.52 1zzv s PRO 73 CO 0.02 -1.46 0.69 0.00 -0.33 0.00 0.00 177.00 175.92 1zzv n ALA 74 N 9.23 1.85 -1.80 -1.55 0.00 -1.26 -4.97 120.51 122.01 1zzv n ALA 74 Ca 0.23 -3.21 -0.41 0.00 0.00 0.00 0.00 53.44 50.05 1zzv n ALA 74 Cb 0.44 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 0.69 3.79 -3.46 0.00 -0.04 -1.23 -4.49 135.00 130.26 1zzv n PRO 75 Ca 0.22 -2.92 -0.19 0.00 -0.04 0.00 0.00 63.50 60.57 1zzv n PRO 75 Cb 0.62 -2.87 0.03 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.57 -2.57 -2.71 0.55 0.00 -1.26 -4.82 120.51 113.26 1zzv n ALA 76 Ca 0.61 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1zzv n ALA 76 Cb 0.29 -3.09 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 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 -4.74 3.72 -1.13 0.00 0.05 -1.26 -4.86 135.00 126.79 1zzv s PRO 77 Ca 0.26 -1.62 -0.08 0.00 0.05 0.00 0.00 61.00 59.61 1zzv s PRO 77 Cb -0.08 -5.24 -0.10 0.00 0.05 0.00 0.00 34.50 29.13 1zzv s PRO 77 CO 0.82 -2.05 3.06 1.17 0.05 0.00 0.00 177.00 180.05 1zzv n LYS 78 N 7.79 3.32 0.28 4.56 3.00 -1.26 -4.57 118.16 131.27 1zzv n LYS 78 Ca 0.34 -2.05 0.17 0.00 -0.00 0.00 0.00 58.31 56.76 1zzv n LYS 78 Cb 0.49 -2.55 0.73 0.00 0.00 0.00 0.00 35.03 33.70 1zzv n LYS 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1zzv h GLU 79 N 4.35 0.00 -0.02 1.64 4.39 -2.01 -3.56 114.58 119.38 1zzv h GLU 79 Ca 0.66 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1zzv h GLU 79 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1zzv h GLU 79 CO 1.32 0.05 0.00 -3.47 -1.16 0.00 0.00 179.01 175.74