#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzn n GLU 5 N 0.00 0.73 -3.66 -0.52 0.28 -1.26 -4.94 120.64 111.27 1zzn n GLU 5 Ca 0.00 -3.75 -0.10 0.00 -0.16 0.00 0.00 57.16 53.15 1zzn n GLU 5 Cb 0.00 1.12 -0.04 0.00 1.43 0.00 0.00 31.44 33.95 1zzn n GLU 5 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1zzn s THR 6 N -2.90 0.05 0.20 3.84 2.01 -1.26 -4.86 115.64 112.71 1zzn s THR 6 Ca 0.03 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1zzn s THR 6 Cb 0.00 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 1zzn s THR 6 CO 0.02 -0.22 1.12 0.00 -0.69 0.00 0.00 174.62 174.84 1zzn s ARG 7 N -3.83 4.58 0.21 4.92 3.03 -1.26 -4.67 118.95 121.93 1zzn s ARG 7 Ca 0.05 1.77 -0.09 0.00 2.03 0.00 0.00 55.73 59.48 1zzn s ARG 7 Cb 0.01 -3.25 -0.07 0.00 -1.03 0.00 0.00 34.95 30.60 1zzn s ARG 7 CO -0.09 0.07 0.01 -2.30 -1.13 0.00 0.00 175.30 171.86 1zzn n PRO 8 N 2.15 0.00 -3.59 3.89 -0.02 -1.26 -4.56 135.00 131.60 1zzn n PRO 8 Ca 0.02 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.53 1zzn n PRO 8 Cb 0.46 -0.47 -0.06 0.00 -0.02 0.00 0.00 33.50 33.41 1zzn n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1zzn s ASN 9 N -0.47 -0.07 0.00 2.55 3.84 -1.26 -4.82 114.94 114.71 1zzn s ASN 9 Ca 0.28 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1zzn s ASN 9 Cb -0.28 1.04 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 1zzn s ASN 9 CO 0.30 -0.02 0.20 1.41 -2.79 0.00 0.00 177.10 176.21 1zzn n HIS 10 N 3.28 0.00 -3.72 0.43 8.25 -1.26 -4.50 115.22 117.70 1zzn n HIS 10 Ca -0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 1zzn n HIS 10 Cb 0.56 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1zzn n HIS 10 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1zzn s THR 11 N -1.73 0.08 0.11 1.59 2.01 -1.26 -0.98 115.64 115.45 1zzn s THR 11 Ca 0.00 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.45 1zzn s THR 11 Cb 0.00 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1zzn s THR 11 CO 0.00 -0.34 -0.17 0.27 -0.69 0.00 0.00 174.62 173.69 1zzn s ILE 12 N -2.66 1.44 -0.25 1.82 -4.36 -0.04 -1.61 121.20 115.55 1zzn s ILE 12 Ca -0.04 -1.57 -0.09 0.00 -0.26 0.00 0.00 60.65 58.69 1zzn s ILE 12 Cb -0.00 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1zzn s ILE 12 CO -0.04 -0.24 0.12 -0.47 0.24 0.00 0.00 174.94 174.55 1zzn s TYR 13 N -1.57 3.18 -0.04 1.37 6.14 0.28 -2.14 117.35 124.57 1zzn s TYR 13 Ca 0.06 -0.08 0.06 0.00 0.64 0.00 0.00 57.07 57.75 1zzn s TYR 13 Cb -0.08 -2.27 -0.01 0.00 0.42 0.00 0.00 41.96 40.02 1zzn s TYR 13 CO 0.04 -0.16 -0.24 0.42 0.64 0.00 0.00 175.55 176.24 1zzn s ILE 14 N 1.42 1.95 0.38 3.14 1.09 -1.01 -0.83 121.20 127.34 1zzn s ILE 14 Ca 0.06 -1.03 0.05 0.00 -1.10 0.00 0.00 60.65 58.63 1zzn s ILE 14 Cb -0.15 -1.64 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 1zzn s ILE 14 CO 0.06 0.55 0.17 0.54 -0.10 0.00 0.00 174.94 176.16 1zzn s ASN 15 N -0.28 2.36 -0.20 3.58 4.22 0.76 -1.59 114.94 123.79 1zzn s ASN 15 Ca 0.01 -1.69 -0.05 0.00 -2.14 0.00 0.00 52.86 48.99 1zzn s ASN 15 Cb -0.12 0.52 0.02 0.00 1.28 0.00 0.00 41.25 42.95 1zzn s ASN 15 CO 0.02 -0.97 0.10 -3.20 -2.04 0.00 0.00 177.10 171.01 1zzn n ASN 16 N -1.34 -3.74 -3.38 3.54 4.05 -0.76 -3.05 115.26 110.57 1zzn n ASN 16 Ca -0.02 1.10 -0.12 0.00 0.45 0.00 0.00 54.58 55.99 1zzn n ASN 16 Cb 0.64 -4.40 -0.03 0.00 1.23 0.00 0.00 39.78 37.22 1zzn n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1zzn s LEU 17 N -0.91 0.65 -1.12 1.20 1.02 -1.25 -4.62 118.68 113.64 1zzn s LEU 17 Ca -0.11 -1.28 -0.09 0.00 0.02 0.00 0.00 54.13 52.66 1zzn s LEU 17 Cb 0.01 1.79 0.28 0.00 0.02 0.00 0.00 46.19 48.29 1zzn s LEU 17 CO 0.63 -1.33 1.14 0.59 0.02 0.00 0.00 176.35 177.40 1zzn n ASN 18 N -1.14 5.54 -0.25 2.29 3.02 -1.26 -4.80 115.26 118.65 1zzn n ASN 18 Ca -0.01 -3.05 0.29 0.00 -0.03 0.00 0.00 54.58 51.78 1zzn n ASN 18 Cb 0.61 -1.39 0.45 0.00 -0.61 0.00 0.00 39.78 38.84 1zzn n ASN 18 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1zzn n GLU 19 N 2.78 0.01 -0.52 3.52 0.00 -1.26 -1.34 120.64 123.83 1zzn n GLU 19 Ca 0.25 0.97 0.43 0.00 0.00 0.00 0.00 57.16 58.81 1zzn n GLU 19 Cb 0.39 -2.40 0.67 0.00 0.00 0.00 0.00 31.44 30.10 1zzn n GLU 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1zzn n LYS 20 N -3.20 0.01 -0.45 3.44 4.01 -1.26 -4.44 118.16 116.26 1zzn n LYS 20 Ca 0.24 1.05 -0.30 0.00 -0.51 0.00 0.00 58.31 58.80 1zzn n LYS 20 Cb 1.50 -2.50 0.28 0.00 -0.51 0.00 0.00 35.03 33.79 1zzn n LYS 20 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1zzn s ILE 21 N -4.67 1.45 -0.20 -0.18 -4.36 -0.45 -5.01 121.20 107.78 1zzn s ILE 21 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 60.65 60.26 1zzn s ILE 21 Cb 0.22 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 1zzn s ILE 21 CO 0.72 0.00 0.12 -0.54 0.24 0.00 0.00 174.94 175.48 1zzn s LYS 22 N -4.91 4.12 0.20 0.37 1.02 -1.26 -4.92 119.74 114.36 1zzn s LYS 22 Ca 0.69 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 56.23 1zzn s LYS 22 Cb -0.17 -3.38 0.17 0.00 -0.52 0.00 0.00 37.83 33.93 1zzn s LYS 22 CO 0.60 0.26 1.59 -0.22 -0.92 0.00 0.00 175.35 176.66 1zzn h LYS 23 N 6.78 -0.11 -0.44 1.68 3.64 -1.95 2.88 116.57 129.06 1zzn h LYS 23 Ca -0.40 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1zzn h LYS 23 Cb 1.16 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1zzn h LYS 23 CO 0.73 -0.08 0.23 0.22 -2.27 0.00 0.00 179.45 178.28 1zzn h ASP 24 N -0.12 0.34 0.47 4.20 3.58 -1.98 -1.01 116.42 121.90 1zzn h ASP 24 Ca 0.26 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 1zzn h ASP 24 Cb 0.55 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1zzn h ASP 24 CO -0.70 0.24 -0.22 -0.08 -2.88 0.00 0.00 179.24 175.59 1zzn h GLU 25 N 0.45 -0.60 -1.05 0.28 4.81 0.91 -3.10 114.58 116.28 1zzn h GLU 25 Ca 0.19 0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.73 1zzn h GLU 25 Cb 0.08 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 1zzn h GLU 25 CO -0.12 -0.40 0.66 1.25 -0.73 0.00 0.00 179.01 179.67 1zzn h LEU 26 N -0.64 0.48 -1.24 1.64 5.85 0.46 0.80 115.31 122.66 1zzn h LEU 26 Ca -0.06 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1zzn h LEU 26 Cb 0.48 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1zzn h LEU 26 CO 0.10 0.07 0.56 0.11 -0.34 0.00 0.00 178.44 178.94 1zzn h LYS 27 N 0.41 0.81 0.08 1.25 1.57 -1.10 -1.93 116.57 117.65 1zzn h LYS 27 Ca 0.62 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 59.08 1zzn h LYS 27 Cb 1.53 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1zzn h LYS 27 CO -0.35 0.53 -1.35 1.57 -0.57 0.00 0.00 179.45 179.29 1zzn h LYS 28 N 0.83 0.18 -1.56 3.15 2.10 -0.86 -0.73 116.57 119.68 1zzn h LYS 28 Ca 0.41 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1zzn h LYS 28 Cb 0.45 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1zzn h LYS 28 CO -0.17 1.06 0.00 -1.13 -2.00 0.00 0.00 179.45 177.21 1zzn n SER 29 N -3.42 2.22 0.00 7.07 3.41 -0.73 -1.78 113.62 120.39 1zzn n SER 29 Ca -0.10 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1zzn n SER 29 Cb 1.02 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1zzn n SER 29 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1zzn n LEU 30 N 0.98 0.00 -0.15 1.04 4.77 -1.19 -4.72 117.00 117.73 1zzn n LEU 30 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1zzn n LEU 30 Cb 0.30 0.08 0.19 0.00 -2.33 0.00 0.00 43.42 41.66 1zzn n LEU 30 CO 0.00 -0.09 0.40 1.57 -1.33 0.00 0.00 177.39 177.94 1zzn n HIS 31 N -1.68 0.38 -0.02 -1.77 -0.00 -0.28 0.49 115.22 112.34 1zzn n HIS 31 Ca 0.00 0.53 0.00 0.00 0.46 0.00 0.00 57.72 58.72 1zzn n HIS 31 Cb 0.00 -0.89 -0.05 0.00 -0.12 0.00 0.00 29.99 28.92 1zzn n HIS 31 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zzn n ALA 32 N -3.12 2.06 0.11 1.57 0.00 -1.25 -4.47 120.51 115.40 1zzn n ALA 32 Ca 0.13 -0.29 0.17 0.00 0.00 0.00 0.00 53.44 53.45 1zzn n ALA 32 Cb 0.44 -0.07 0.71 0.00 0.00 0.00 0.00 19.45 20.52 1zzn n ALA 32 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1zzn h ILE 33 N 0.00 0.74 -1.34 0.00 5.03 -0.21 -1.96 117.51 119.77 1zzn h ILE 33 Ca -0.08 0.00 -0.57 0.00 -0.12 0.00 0.00 64.86 64.09 1zzn h ILE 33 Cb 0.82 0.82 -0.42 0.00 -3.03 0.00 0.00 36.82 35.01 1zzn h ILE 33 CO 0.00 0.00 -0.77 0.49 -0.68 0.00 0.00 178.15 177.19 1zzn n PHE 34 N -4.29 3.16 -2.79 1.37 3.72 0.73 -4.88 117.46 114.48 1zzn n PHE 34 Ca 0.05 -2.93 -0.03 0.00 -0.05 0.00 0.00 57.45 54.50 1zzn n PHE 34 Cb 0.42 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 1zzn n PHE 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1zzn s SER 35 N -3.53 -1.01 0.00 4.37 0.15 -0.74 -4.91 113.70 108.03 1zzn s SER 35 Ca 0.47 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1zzn s SER 35 Cb 0.40 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1zzn s SER 35 CO -0.13 -0.05 0.27 0.54 1.20 0.00 0.00 173.24 175.07 1zzn n ARG 36 N 3.09 0.00 0.00 5.44 1.74 -1.26 -4.77 116.66 120.90 1zzn n ARG 36 Ca 0.14 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1zzn n ARG 36 Cb 0.59 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1zzn n ARG 36 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1zzn n PHE 37 N 0.00 0.00 -3.56 -1.55 -1.74 -1.26 -5.12 117.46 104.23 1zzn n PHE 37 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.82 1zzn n PHE 37 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 1zzn n PHE 37 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1zzn s GLY 38 N -0.27 -0.41 1.11 4.97 0.00 -1.26 -4.75 107.32 106.71 1zzn s GLY 38 Ca 0.00 0.87 -0.19 0.00 0.00 0.00 0.00 44.72 45.41 1zzn s GLY 38 CO 0.00 0.28 0.74 -0.18 0.00 0.00 0.00 173.10 173.94 1zzn n GLN 39 N -0.28 -3.83 -3.79 2.90 7.27 -1.26 -4.57 117.38 113.82 1zzn n GLN 39 Ca -0.08 -1.23 -0.12 0.00 0.07 0.00 0.00 57.00 55.64 1zzn n GLN 39 Cb 0.61 -1.44 -0.08 0.00 2.41 0.00 0.00 30.24 31.73 1zzn n GLN 39 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1zzn s ILE 40 N -2.09 0.07 -0.13 1.69 -5.25 -1.26 -4.08 121.20 110.15 1zzn s ILE 40 Ca 0.54 -0.61 -0.03 0.00 -0.99 0.00 0.00 60.65 59.56 1zzn s ILE 40 Cb -0.08 -0.70 -0.07 0.00 2.95 0.00 0.00 42.46 44.56 1zzn s ILE 40 CO 0.44 -0.34 -0.14 -0.11 -1.79 0.00 0.00 174.94 173.00 1zzn n LEU 41 N 1.06 2.07 0.00 0.37 7.94 0.12 -4.85 117.00 123.72 1zzn n LEU 41 Ca -0.21 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1zzn n LEU 41 Cb 0.57 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1zzn n LEU 41 CO 0.22 0.52 0.00 -0.67 -1.11 0.00 0.00 177.39 176.35 1zzn n ASP 42 N -3.22 0.00 -3.95 1.96 4.64 -1.24 -5.01 116.55 109.73 1zzn n ASP 42 Ca -0.25 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.75 1zzn n ASP 42 Cb 0.72 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.80 1zzn n ASP 42 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1zzn n ILE 43 N -0.00 4.83 -1.73 5.18 -0.00 -1.26 -2.41 119.36 123.97 1zzn n ILE 43 Ca 0.00 -5.79 -0.42 0.00 -0.00 0.00 0.00 62.75 56.54 1zzn n ILE 43 Cb 0.00 -2.12 -0.02 0.00 -0.00 0.00 0.00 39.64 37.49 1zzn n ILE 43 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1zzn n LEU 44 N 1.37 4.13 -3.89 1.39 7.99 -1.21 -4.71 117.00 122.07 1zzn n LEU 44 Ca 0.26 1.10 -0.10 0.00 -0.01 0.00 0.00 56.01 57.27 1zzn n LEU 44 Cb 0.35 -1.58 -0.09 0.00 -0.11 0.00 0.00 43.42 41.99 1zzn n LEU 44 CO 0.66 0.15 -0.16 -0.69 -1.51 0.00 0.00 177.39 175.84 1zzn s VAL 45 N 0.62 0.13 0.16 4.08 1.01 -1.26 -1.15 120.40 123.99 1zzn s VAL 45 Ca 0.70 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1zzn s VAL 45 Cb -0.51 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1zzn s VAL 45 CO 0.40 -0.58 0.06 -0.55 0.00 0.00 0.00 175.10 174.43 1zzn s SER 46 N -2.21 0.52 0.00 3.32 0.15 -1.26 -5.04 113.70 109.18 1zzn s SER 46 Ca -0.04 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.44 1zzn s SER 46 Cb -0.00 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.65 1zzn s SER 46 CO -0.05 -0.72 0.80 0.54 1.20 0.00 0.00 173.24 175.01 1zzn n ARG 47 N -0.17 0.54 -1.67 5.44 5.12 -1.26 -2.93 116.66 121.73 1zzn n ARG 47 Ca -0.04 -1.09 -0.38 0.00 -1.93 0.00 0.00 57.85 54.41 1zzn n ARG 47 Cb 0.64 -1.13 0.06 0.00 -1.16 0.00 0.00 32.46 30.87 1zzn n ARG 47 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1zzn n SER 48 N 0.32 1.44 0.00 0.55 2.88 -1.26 -4.29 113.62 113.25 1zzn n SER 48 Ca 0.04 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1zzn n SER 48 Cb 0.20 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 1zzn n SER 48 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1zzn n LEU 49 N -1.18 0.00 0.01 2.46 7.94 -1.26 0.49 117.00 125.46 1zzn n LEU 49 Ca 0.14 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.01 1zzn n LEU 49 Cb 0.47 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.41 1zzn n LEU 49 CO 0.49 0.00 -0.30 0.29 -1.11 0.00 0.00 177.39 176.76 1zzn n LYS 50 N -0.84 0.10 0.12 1.96 4.01 -1.26 -4.77 118.16 117.48 1zzn n LYS 50 Ca 0.00 0.04 0.13 0.00 -0.51 0.00 0.00 58.31 57.97 1zzn n LYS 50 Cb 0.00 -0.68 0.38 0.00 -0.51 0.00 0.00 35.03 34.22 1zzn n LYS 50 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 1zzn h MET 51 N -0.19 0.00 -6.94 1.97 2.86 -1.73 -3.46 114.93 107.44 1zzn h MET 51 Ca -0.04 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.04 1zzn h MET 51 Cb 0.48 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.28 1zzn h MET 51 CO -0.03 0.00 0.46 2.89 1.06 0.00 0.00 176.91 181.30 1zzn n ARG 52 N -2.36 1.54 -1.02 1.72 1.85 0.18 -2.02 116.66 116.55 1zzn n ARG 52 Ca 0.05 0.57 -0.01 0.00 -1.00 0.00 0.00 57.85 57.46 1zzn n ARG 52 Cb 0.44 -2.43 -0.00 0.00 -1.05 0.00 0.00 32.46 29.41 1zzn n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1zzn n GLY 53 N 0.90 0.45 3.35 2.89 0.00 -1.26 -4.93 105.19 106.59 1zzn n GLY 53 Ca 0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1zzn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zzn s GLN 54 N -2.01 1.03 0.19 1.61 -0.21 -0.86 -1.83 119.66 117.58 1zzn s GLN 54 Ca 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 55.36 54.87 1zzn s GLN 54 Cb 0.00 0.46 -0.02 0.00 1.00 0.00 0.00 33.01 34.45 1zzn s GLN 54 CO 0.00 -0.38 0.28 0.00 -2.12 0.00 0.00 175.29 173.06 1zzn s ALA 55 N -2.98 0.32 -0.42 6.09 0.00 -0.62 -4.00 121.76 120.15 1zzn s ALA 55 Ca -0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1zzn s ALA 55 Cb 0.00 1.06 0.13 0.00 0.00 0.00 0.00 23.12 24.31 1zzn s ALA 55 CO -0.06 -0.67 0.21 -0.06 0.00 0.00 0.00 175.76 175.17 1zzn s PHE 56 N -4.04 2.09 -0.02 0.00 0.40 -0.30 -2.39 117.98 113.72 1zzn s PHE 56 Ca 0.25 -2.39 -0.30 0.00 -0.60 0.00 0.00 56.93 53.89 1zzn s PHE 56 Cb 0.04 -1.96 -0.06 0.00 0.51 0.00 0.00 43.02 41.54 1zzn s PHE 56 CO 0.06 -0.80 1.62 0.08 0.70 0.00 0.00 175.22 176.87 1zzn s VAL 57 N 0.54 3.49 -0.13 -0.44 1.01 -0.91 -3.29 120.40 120.68 1zzn s VAL 57 Ca 0.16 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 1zzn s VAL 57 Cb -0.23 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1zzn s VAL 57 CO -0.04 -0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.30 1zzn s ILE 58 N 3.52 3.46 0.00 2.22 1.01 -1.01 -0.86 121.20 129.54 1zzn s ILE 58 Ca 0.72 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1zzn s ILE 58 Cb -0.34 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1zzn s ILE 58 CO 0.30 0.53 0.00 0.49 0.00 0.00 0.00 174.94 176.25 1zzn n PHE 59 N 3.30 0.00 0.00 3.97 3.72 -0.15 0.15 117.46 128.45 1zzn n PHE 59 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1zzn n PHE 59 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1zzn n PHE 59 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1zzn n LYS 60 N 0.00 0.51 -4.80 -1.08 3.00 -1.26 -3.57 118.16 110.96 1zzn n LYS 60 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1zzn n LYS 60 Cb 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 35.03 34.27 1zzn n LYS 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1zzn s GLU 61 N -1.24 3.27 0.24 1.64 0.41 -1.26 -5.01 118.70 116.73 1zzn s GLU 61 Ca 0.00 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 53.75 1zzn s GLU 61 Cb 0.00 -2.59 0.31 0.00 -1.78 0.00 0.00 34.13 30.07 1zzn s GLU 61 CO 0.00 0.27 1.59 0.28 -0.49 0.00 0.00 175.26 176.91 1zzn h VAL 62 N 5.27 0.19 -0.20 2.63 2.07 -1.91 -0.11 116.25 124.19 1zzn h VAL 62 Ca -0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1zzn h VAL 62 Cb 1.21 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1zzn h VAL 62 CO 0.55 0.00 -0.38 0.28 0.02 0.00 0.00 177.57 178.04 1zzn h SER 63 N -0.02 -1.21 -1.42 0.57 0.02 -1.96 0.83 113.55 110.36 1zzn h SER 63 Ca 0.37 0.17 0.46 0.00 -0.84 0.00 0.00 61.79 61.95 1zzn h SER 63 Cb 0.58 0.51 -0.12 0.00 0.14 0.00 0.00 62.40 63.52 1zzn h SER 63 CO -0.82 -0.39 0.95 0.28 -1.14 0.00 0.00 176.83 175.71 1zzn h SER 64 N -0.41 0.19 0.00 3.07 0.02 -1.31 0.47 113.55 115.58 1zzn h SER 64 Ca 0.10 0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.04 1zzn h SER 64 Cb 0.59 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1zzn h SER 64 CO -0.43 -0.15 -0.71 0.00 -1.14 0.00 0.00 176.83 174.40 1zzn h ALA 65 N 1.50 0.15 -0.94 3.77 0.00 -0.14 -1.49 119.26 122.10 1zzn h ALA 65 Ca 0.83 -0.88 0.26 0.00 0.00 0.00 0.00 54.91 55.13 1zzn h ALA 65 Cb 2.77 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 20.85 1zzn h ALA 65 CO -0.34 0.41 0.44 1.15 0.00 0.00 0.00 179.25 180.91 1zzn h THR 66 N -1.00 0.37 0.16 0.00 2.02 0.36 0.48 112.91 115.30 1zzn h THR 66 Ca -0.19 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1zzn h THR 66 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1zzn h THR 66 CO -0.12 0.06 -0.08 -1.13 0.37 0.00 0.00 175.52 174.63 1zzn h ASN 67 N 0.34 -0.18 -0.96 4.18 -1.24 -0.36 -3.29 115.58 114.06 1zzn h ASN 67 Ca 0.63 -0.22 0.26 0.00 0.71 0.00 0.00 56.30 57.68 1zzn h ASN 67 Cb 1.32 0.05 -0.18 0.00 0.73 0.00 0.00 38.32 40.24 1zzn h ASN 67 CO -0.59 0.37 0.05 0.00 -1.29 0.00 0.00 177.43 175.98 1zzn h ALA 68 N -0.70 1.17 0.00 1.57 0.00 -0.13 2.54 119.26 123.70 1zzn h ALA 68 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1zzn h ALA 68 Cb 0.39 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1zzn h ALA 68 CO 0.04 -0.56 0.38 1.25 0.00 0.00 0.00 179.25 180.36 1zzn h LEU 69 N 0.03 0.00 0.00 0.00 5.85 -0.17 -3.03 115.31 117.99 1zzn h LEU 69 Ca 0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1zzn h LEU 69 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1zzn h LEU 69 CO -0.88 0.00 -0.89 0.54 -0.34 0.00 0.00 178.44 176.87 1zzn n ARG 70 N -2.29 0.00 0.00 1.25 1.74 0.82 -4.14 116.66 114.04 1zzn n ARG 70 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1zzn n ARG 70 Cb 0.40 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 1zzn n ARG 70 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1zzn n SER 71 N -2.93 0.00 0.00 0.55 2.88 0.94 -2.46 113.62 112.59 1zzn n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1zzn n SER 71 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1zzn n SER 71 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1zzn n MET 72 N -0.21 0.33 -0.78 -1.46 2.81 -1.15 -4.99 117.12 111.67 1zzn n MET 72 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1zzn n MET 72 Cb 0.00 -0.03 0.13 0.00 -0.71 0.00 0.00 33.22 32.61 1zzn n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1zzn n GLN 73 N 0.00 -0.70 -0.34 0.03 -0.06 -1.03 -2.46 117.38 112.82 1zzn n GLN 73 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1zzn n GLN 73 Cb 0.00 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 1zzn n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1zzn n GLY 74 N 1.96 0.00 3.63 1.69 0.00 -1.23 -4.89 105.19 106.35 1zzn n GLY 74 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1zzn n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1zzn s PHE 75 N -0.43 3.14 -0.49 1.61 5.36 -1.03 -4.41 117.98 121.73 1zzn s PHE 75 Ca 0.00 1.14 -0.26 0.00 -0.96 0.00 0.00 56.93 56.85 1zzn s PHE 75 Cb 0.00 -3.69 -0.07 0.00 -0.34 0.00 0.00 43.02 38.92 1zzn s PHE 75 CO 0.00 -0.77 2.42 -2.30 -1.46 0.00 0.00 175.22 173.11 1zzn n PRO 76 N 6.86 1.05 -2.98 10.12 -0.02 -1.26 -3.80 135.00 144.96 1zzn n PRO 76 Ca 0.11 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1zzn n PRO 76 Cb 0.47 -3.42 -0.05 0.00 -0.02 0.00 0.00 33.50 30.49 1zzn n PRO 76 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1zzn s PHE 77 N 12.12 3.66 -1.24 6.00 5.36 0.74 -4.23 117.98 140.39 1zzn s PHE 77 Ca 0.99 1.40 -0.16 0.00 -0.96 0.00 0.00 56.93 58.21 1zzn s PHE 77 Cb -0.20 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1zzn s PHE 77 CO 0.27 0.17 0.65 0.66 -1.46 0.00 0.00 175.22 175.50 1zzn n TYR 78 N 3.33 -1.75 -2.24 10.12 4.01 -1.26 -0.96 117.16 128.41 1zzn n TYR 78 Ca -0.01 0.50 -0.12 0.00 -0.16 0.00 0.00 57.90 58.11 1zzn n TYR 78 Cb 0.51 -3.45 -0.01 0.00 -0.31 0.00 0.00 39.34 36.07 1zzn n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1zzn n ASP 79 N -2.71 -3.79 -3.75 7.72 8.00 -1.26 -4.92 116.55 115.84 1zzn n ASP 79 Ca -0.17 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 1zzn n ASP 79 Cb 0.62 -3.27 -0.14 0.00 -0.02 0.00 0.00 41.12 38.31 1zzn n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1zzn s LYS 80 N -4.67 0.12 0.00 -1.24 2.20 -0.14 -5.11 119.74 110.91 1zzn s LYS 80 Ca 0.00 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1zzn s LYS 80 Cb 0.00 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1zzn s LYS 80 CO 0.00 -0.16 0.00 -2.30 -0.36 0.00 0.00 175.35 172.53 1zzn n PRO 81 N 4.16 2.54 -3.54 4.03 -0.02 -1.26 0.26 135.00 141.18 1zzn n PRO 81 Ca -0.26 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.07 1zzn n PRO 81 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.94 1zzn n PRO 81 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1zzn s MET 82 N 0.00 0.89 -0.03 -0.52 1.75 -1.25 -3.05 119.30 117.09 1zzn s MET 82 Ca 0.00 0.25 -0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1zzn s MET 82 Cb 0.00 0.42 0.03 0.00 2.84 0.00 0.00 34.83 38.12 1zzn s MET 82 CO 0.00 -0.27 0.02 1.03 -0.65 0.00 0.00 175.02 175.14 1zzn s ARG 83 N -1.10 0.16 0.35 4.11 0.52 -1.17 -3.57 118.95 118.25 1zzn s ARG 83 Ca -0.07 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.33 1zzn s ARG 83 Cb -0.00 -0.44 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 1zzn s ARG 83 CO 0.07 -0.18 0.05 0.42 0.02 0.00 0.00 175.30 175.68 1zzn s ILE 84 N 1.22 1.38 -0.30 1.52 1.01 -1.25 -0.17 121.20 124.60 1zzn s ILE 84 Ca -0.07 -2.00 -0.17 0.00 0.00 0.00 0.00 60.65 58.41 1zzn s ILE 84 Cb -0.13 -2.83 0.20 0.00 0.01 0.00 0.00 42.46 39.71 1zzn s ILE 84 CO -0.02 0.00 1.23 -1.10 0.00 0.00 0.00 174.94 175.05 1zzn s GLN 85 N -3.84 0.10 0.66 2.79 -0.21 -0.01 -4.90 119.66 114.24 1zzn s GLN 85 Ca 0.35 0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.73 1zzn s GLN 85 Cb 0.09 0.02 -0.07 0.00 1.00 0.00 0.00 33.01 34.05 1zzn s GLN 85 CO 0.16 -0.02 0.44 0.66 -2.12 0.00 0.00 175.29 174.41 1zzn n TYR 86 N 3.04 -1.05 -1.82 0.91 4.01 -1.26 0.10 117.16 121.09 1zzn n TYR 86 Ca -0.17 0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.62 1zzn n TYR 86 Cb 0.56 -1.90 0.04 0.00 -0.31 0.00 0.00 39.34 37.74 1zzn n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1zzn s ALA 87 N -1.85 2.49 -0.31 -0.72 0.00 -0.63 -4.48 121.76 116.27 1zzn s ALA 87 Ca 0.65 0.60 0.22 0.00 0.00 0.00 0.00 51.96 53.43 1zzn s ALA 87 Cb -0.39 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.54 1zzn s ALA 87 CO 0.58 -1.22 1.30 0.87 0.00 0.00 0.00 175.76 177.29 1zzn h LYS 88 N 0.20 0.00 -2.99 0.00 1.57 -1.90 -3.44 116.57 110.01 1zzn h LYS 88 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 1zzn h LYS 88 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 1zzn h LYS 88 CO 0.54 0.06 -0.77 0.95 -0.57 0.00 0.00 179.45 179.67 1zzn s THR 89 N -3.23 0.13 -0.68 -0.16 -4.23 -1.26 -5.09 115.64 101.11 1zzn s THR 89 Ca 0.03 -0.80 -0.38 0.00 -1.18 0.00 0.00 61.69 59.36 1zzn s THR 89 Cb 0.07 -1.06 -0.20 0.00 1.34 0.00 0.00 72.50 72.66 1zzn s THR 89 CO 0.74 -0.64 2.36 0.47 -0.54 0.00 0.00 174.62 177.00 1zzn n ASP 90 N 5.17 0.67 -0.70 3.99 8.00 -1.26 -4.74 116.55 127.67 1zzn n ASP 90 Ca -0.06 0.46 -0.07 0.00 0.71 0.00 0.00 54.79 55.83 1zzn n ASP 90 Cb 0.43 -0.94 -0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1zzn n ASP 90 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1zzn n SER 91 N 8.90 -0.44 -1.31 -2.24 7.64 -1.26 -3.84 113.62 121.06 1zzn n SER 91 Ca 0.58 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1zzn n SER 91 Cb 0.01 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1zzn n SER 91 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1zzn n ASP 92 N 0.38 1.67 0.00 6.43 9.92 -1.26 -1.72 116.55 131.97 1zzn n ASP 92 Ca 0.02 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.13 1zzn n ASP 92 Cb 0.06 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1zzn n ASP 92 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1zzn n ILE 93 N 1.18 0.00 -0.02 0.53 2.08 -1.26 -4.44 119.36 117.43 1zzn n ILE 93 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 1zzn n ILE 93 Cb 0.21 -0.36 -0.00 0.00 -0.75 0.00 0.00 39.64 38.74 1zzn n ILE 93 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1zzn h ILE 94 N 0.00 0.00 0.00 1.39 1.08 -1.61 -3.02 117.51 115.35 1zzn h ILE 94 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1zzn h ILE 94 Cb 0.62 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1zzn h ILE 94 CO 0.00 0.00 0.11 0.00 -0.69 0.00 0.00 178.15 177.57 1zzn n ALA 95 N -2.45 0.82 0.06 1.87 0.00 -0.92 -0.21 120.51 119.68 1zzn n ALA 95 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1zzn n ALA 95 Cb 0.04 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 1zzn n ALA 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1zzn h LYS 96 N 0.00 -0.22 0.00 0.00 3.64 -1.67 -3.41 116.57 114.90 1zzn h LYS 96 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1zzn h LYS 96 Cb 0.23 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1zzn h LYS 96 CO 0.00 0.18 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 1zzn n MET 97 N -4.93 0.00 0.00 1.90 0.00 0.71 -4.99 117.12 109.80 1zzn n MET 97 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1zzn n MET 97 Cb 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 33.22 32.62 1zzn n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60