#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbz n GLU 5 N 0.00 -1.29 -4.04 -0.52 0.00 -1.26 -4.99 120.64 108.54 1vbz n GLU 5 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 57.16 56.54 1vbz n GLU 5 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 1vbz n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1vbz s THR 6 N -2.11 4.80 0.54 3.84 2.01 -1.26 -5.11 115.64 118.35 1vbz s THR 6 Ca 0.40 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1vbz s THR 6 Cb -0.03 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1vbz s THR 6 CO 0.51 -0.20 0.89 -0.13 -0.69 0.00 0.00 174.62 175.00 1vbz s ARG 7 N -3.46 3.57 0.41 4.92 1.81 -1.26 -4.86 118.95 120.08 1vbz s ARG 7 Ca 0.33 0.45 -0.24 0.00 -1.72 0.00 0.00 55.73 54.54 1vbz s ARG 7 Cb -0.10 -2.25 -0.11 0.00 -0.45 0.00 0.00 34.95 32.05 1vbz s ARG 7 CO 0.26 -0.36 0.98 -2.30 -0.68 0.00 0.00 175.30 173.20 1vbz n PRO 8 N -2.45 1.29 -3.84 3.54 -0.02 -1.26 -4.74 135.00 127.53 1vbz n PRO 8 Ca 0.03 0.46 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1vbz n PRO 8 Cb 0.55 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 1vbz n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vbz s ASN 9 N -0.75 0.08 0.53 2.55 3.84 -1.26 -5.01 114.94 114.93 1vbz s ASN 9 Ca 0.63 -0.59 0.32 0.00 0.21 0.00 0.00 52.86 53.43 1vbz s ASN 9 Cb -0.57 0.34 1.34 0.00 -0.55 0.00 0.00 41.25 41.81 1vbz s ASN 9 CO 0.57 -0.72 1.98 0.45 -2.79 0.00 0.00 177.10 176.59 1vbz h HIS 10 N 2.81 0.00 -3.45 0.43 3.86 -1.89 -3.43 115.15 113.48 1vbz h HIS 10 Ca -0.34 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.21 1vbz h HIS 10 Cb 1.20 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.41 1vbz h HIS 10 CO 0.43 0.05 -0.77 0.99 0.86 0.00 0.00 177.93 179.49 1vbz s THR 11 N -3.72 3.01 -0.18 2.45 2.01 -1.26 -0.91 115.64 117.05 1vbz s THR 11 Ca 0.01 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1vbz s THR 11 Cb 0.10 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1vbz s THR 11 CO 0.56 0.54 0.08 0.27 -0.69 0.00 0.00 174.62 175.38 1vbz s ILE 12 N 0.15 4.99 -0.24 1.82 -4.36 -0.05 -1.12 121.20 122.39 1vbz s ILE 12 Ca -0.07 0.04 -0.13 0.00 -0.26 0.00 0.00 60.65 60.22 1vbz s ILE 12 Cb -0.15 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 1vbz s ILE 12 CO 0.05 0.48 0.28 -0.47 0.24 0.00 0.00 174.94 175.51 1vbz s TYR 13 N 0.18 3.31 0.01 1.37 6.14 0.11 -1.17 117.35 127.29 1vbz s TYR 13 Ca 0.06 0.37 0.07 0.00 0.64 0.00 0.00 57.07 58.21 1vbz s TYR 13 Cb -0.12 -2.42 -0.03 0.00 0.42 0.00 0.00 41.96 39.82 1vbz s TYR 13 CO -0.00 -0.04 -0.22 0.42 0.64 0.00 0.00 175.55 176.35 1vbz s ILE 14 N 1.41 2.47 0.24 3.14 1.01 0.13 -0.98 121.20 128.61 1vbz s ILE 14 Ca 0.12 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1vbz s ILE 14 Cb -0.15 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1vbz s ILE 14 CO 0.07 0.47 0.28 -0.46 0.00 0.00 0.00 174.94 175.30 1vbz n ASN 15 N 2.02 -0.76 -1.27 3.58 6.94 0.02 -0.13 115.26 125.66 1vbz n ASN 15 Ca -0.16 -2.40 -0.10 0.00 -0.02 0.00 0.00 54.58 51.90 1vbz n ASN 15 Cb 0.52 1.51 0.00 0.00 -2.36 0.00 0.00 39.78 39.45 1vbz n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vbz n ASN 16 N -1.91 -3.51 -4.90 0.53 4.05 -0.79 -2.01 115.26 106.72 1vbz n ASN 16 Ca 0.02 -0.04 -0.28 0.00 0.45 0.00 0.00 54.58 54.74 1vbz n ASN 16 Cb 0.41 -2.68 0.01 0.00 1.23 0.00 0.00 39.78 38.74 1vbz n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1vbz s LEU 17 N -3.09 3.49 -0.33 1.20 1.43 -0.76 -4.60 118.68 116.02 1vbz s LEU 17 Ca 0.03 1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 1vbz s LEU 17 Cb -0.01 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1vbz s LEU 17 CO 0.04 -0.71 1.57 0.21 0.23 0.00 0.00 176.35 177.69 1vbz s ASN 18 N -4.15 6.24 0.00 2.29 3.84 -1.26 -4.64 114.94 117.25 1vbz s ASN 18 Ca 0.50 1.19 0.15 0.00 0.21 0.00 0.00 52.86 54.90 1vbz s ASN 18 Cb -0.10 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.85 1vbz s ASN 18 CO 0.47 -1.45 1.38 -0.62 -2.79 0.00 0.00 177.10 174.10 1vbz n GLU 19 N 8.03 0.28 -0.69 0.43 1.02 -1.26 -2.89 120.64 125.56 1vbz n GLU 19 Ca 0.19 0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 1vbz n GLU 19 Cb 0.47 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.73 1vbz n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vbz n LYS 20 N -1.21 4.01 -4.08 3.49 5.02 -1.26 -4.90 118.16 119.23 1vbz n LYS 20 Ca 0.08 -2.64 -0.35 0.00 -2.02 0.00 0.00 58.31 53.39 1vbz n LYS 20 Cb 0.10 -2.04 -0.11 0.00 -0.02 0.00 0.00 35.03 32.96 1vbz n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vbz s ILE 21 N -2.25 4.30 0.36 -0.18 1.09 -1.14 -5.07 121.20 118.31 1vbz s ILE 21 Ca 0.46 -0.20 -0.28 0.00 -1.10 0.00 0.00 60.65 59.53 1vbz s ILE 21 Cb 0.33 -2.94 -0.12 0.00 -1.06 0.00 0.00 42.46 38.68 1vbz s ILE 21 CO 0.17 0.44 1.42 0.29 -0.10 0.00 0.00 174.94 177.16 1vbz n LYS 22 N 3.92 2.48 -0.35 2.79 5.02 -1.26 -4.73 118.16 126.03 1vbz n LYS 22 Ca -0.17 0.87 -0.03 0.00 -2.02 0.00 0.00 58.31 56.96 1vbz n LYS 22 Cb 0.52 -2.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.00 1vbz n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1vbz h LYS 23 N 2.85 -0.03 0.27 1.97 3.64 -1.97 -1.42 116.57 121.88 1vbz h LYS 23 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1vbz h LYS 23 Cb 1.26 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1vbz h LYS 23 CO 0.64 -0.02 -0.48 0.22 -2.27 0.00 0.00 179.45 177.53 1vbz h ASP 24 N -0.03 -1.39 -0.21 4.20 3.58 -1.98 -0.50 116.42 120.10 1vbz h ASP 24 Ca 0.31 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.94 1vbz h ASP 24 Cb 0.57 0.49 -0.05 0.00 1.72 0.00 0.00 39.33 42.07 1vbz h ASP 24 CO -0.93 -0.58 -0.11 -0.08 -2.88 0.00 0.00 179.24 174.66 1vbz h GLU 25 N -0.82 -0.09 -0.46 0.28 4.81 -1.83 -1.89 114.58 114.59 1vbz h GLU 25 Ca -0.02 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1vbz h GLU 25 Cb 0.78 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.10 1vbz h GLU 25 CO -0.18 -0.06 -0.02 1.25 -0.73 0.00 0.00 179.01 179.27 1vbz h LEU 26 N -0.09 -0.23 -1.46 1.64 5.85 -1.00 0.30 115.31 120.32 1vbz h LEU 26 Ca 0.11 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1vbz h LEU 26 Cb 0.26 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1vbz h LEU 26 CO -0.27 -0.08 0.38 0.11 -0.34 0.00 0.00 178.44 178.25 1vbz h LYS 27 N 0.09 0.69 0.11 1.25 1.57 -0.51 -1.08 116.57 118.70 1vbz h LYS 27 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1vbz h LYS 27 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1vbz h LYS 27 CO -0.40 0.46 -0.05 0.87 -0.57 0.00 0.00 179.45 179.76 1vbz h LYS 28 N 0.71 -0.14 -0.12 3.15 1.57 -0.23 -2.44 116.57 119.07 1vbz h LYS 28 Ca 0.23 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1vbz h LYS 28 Cb 0.03 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1vbz h LYS 28 CO -0.06 0.35 -0.29 0.77 -0.57 0.00 0.00 179.45 179.65 1vbz h SER 29 N -0.76 -0.90 -0.57 0.86 0.02 -0.26 -0.56 113.55 111.38 1vbz h SER 29 Ca -0.02 0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 1vbz h SER 29 Cb 0.55 0.39 -0.11 0.00 0.14 0.00 0.00 62.40 63.37 1vbz h SER 29 CO 0.02 -0.34 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.12 1vbz h LEU 30 N -0.37 -0.66 -1.82 5.07 3.38 -1.26 0.90 115.31 120.55 1vbz h LEU 30 Ca 0.10 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1vbz h LEU 30 Cb 0.52 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1vbz h LEU 30 CO -0.33 -0.22 0.31 -0.74 0.09 0.00 0.00 178.44 177.55 1vbz h HIS 31 N -0.04 0.22 -0.46 1.13 2.76 -0.73 0.80 115.15 118.82 1vbz h HIS 31 Ca 0.27 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 1vbz h HIS 31 Cb 0.46 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1vbz h HIS 31 CO -0.51 0.11 0.13 0.00 -1.30 0.00 0.00 177.93 176.36 1vbz h ALA 32 N 1.77 1.38 0.00 5.26 0.00 0.23 -1.95 119.26 125.96 1vbz h ALA 32 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vbz h ALA 32 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vbz h ALA 32 CO -0.04 0.45 -1.90 0.44 0.00 0.00 0.00 179.25 178.20 1vbz n ILE 33 N -4.32 0.00 0.43 0.00 -5.35 -0.17 -4.49 119.36 105.45 1vbz n ILE 33 Ca 0.03 -0.45 0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1vbz n ILE 33 Cb 0.19 0.08 -0.10 0.00 -1.74 0.00 0.00 39.64 38.06 1vbz n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vbz n PHE 34 N -2.19 0.11 -0.10 4.28 3.72 0.10 -4.44 117.46 118.94 1vbz n PHE 34 Ca -0.03 0.03 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1vbz n PHE 34 Cb 0.53 -0.36 0.45 0.00 -0.94 0.00 0.00 39.48 39.16 1vbz n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vbz h SER 35 N 0.00 0.46 0.22 4.37 4.64 -1.57 -1.83 113.55 119.84 1vbz h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vbz h SER 35 Cb 0.79 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1vbz h SER 35 CO 0.00 0.29 0.00 -2.11 -0.87 0.00 0.00 176.83 174.14 1vbz n ARG 36 N -4.48 0.10 0.00 4.77 1.85 -1.26 -2.09 116.66 115.55 1vbz n ARG 36 Ca 0.09 0.51 0.13 0.00 -1.00 0.00 0.00 57.85 57.58 1vbz n ARG 36 Cb 0.29 -1.77 0.43 0.00 -1.05 0.00 0.00 32.46 30.36 1vbz n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1vbz n PHE 37 N -1.97 0.00 0.00 2.89 3.72 -0.69 -5.02 117.46 116.40 1vbz n PHE 37 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1vbz n PHE 37 Cb 0.08 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1vbz n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vbz n GLY 38 N 1.40 4.06 3.50 1.37 0.00 -0.89 -4.26 105.19 110.37 1vbz n GLY 38 Ca 0.10 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 1vbz n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vbz n GLN 39 N -1.94 0.78 -4.09 1.61 7.27 -1.26 -4.72 117.38 115.03 1vbz n GLN 39 Ca 0.00 0.28 -0.33 0.00 0.07 0.00 0.00 57.00 57.01 1vbz n GLN 39 Cb 0.00 -1.55 -0.16 0.00 2.41 0.00 0.00 30.24 30.94 1vbz n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1vbz s ILE 40 N -1.22 2.28 0.23 1.69 1.01 -1.26 -2.39 121.20 121.54 1vbz s ILE 40 Ca 0.62 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1vbz s ILE 40 Cb -0.70 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1vbz s ILE 40 CO 0.58 0.52 1.55 -0.07 0.00 0.00 0.00 174.94 177.52 1vbz h LEU 41 N 7.97 0.30 0.00 2.97 3.38 -0.56 -3.48 115.31 125.89 1vbz h LEU 41 Ca -0.45 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1vbz h LEU 41 Cb 1.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1vbz h LEU 41 CO 0.63 0.84 0.00 -0.67 0.09 0.00 0.00 178.44 179.33 1vbz n ASP 42 N -3.87 0.00 -3.94 -0.43 2.03 -1.15 -5.03 116.55 104.16 1vbz n ASP 42 Ca -0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 1vbz n ASP 42 Cb 0.62 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.86 1vbz n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vbz s ILE 43 N -2.00 0.88 -0.17 5.18 1.01 -1.26 -0.58 121.20 124.25 1vbz s ILE 43 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1vbz s ILE 43 Cb 0.00 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 1vbz s ILE 43 CO 0.00 0.31 -0.08 -0.76 0.00 0.00 0.00 174.94 174.41 1vbz s LEU 44 N 1.02 2.84 0.02 2.97 1.02 -0.13 -4.96 118.68 121.46 1vbz s LEU 44 Ca -0.09 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 53.77 1vbz s LEU 44 Cb -0.15 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1vbz s LEU 44 CO -0.00 0.08 -0.13 -0.69 0.02 0.00 0.00 176.35 175.63 1vbz s VAL 45 N 0.85 1.00 -0.03 -1.59 1.01 -1.26 -1.38 120.40 119.00 1vbz s VAL 45 Ca -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1vbz s VAL 45 Cb -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1vbz s VAL 45 CO 0.01 0.05 0.17 -0.55 0.00 0.00 0.00 175.10 174.78 1vbz s SER 46 N -0.90 -0.10 -0.13 3.32 0.15 -1.26 -5.04 113.70 109.74 1vbz s SER 46 Ca 0.02 0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.91 1vbz s SER 46 Cb -0.07 0.30 0.53 0.00 -1.71 0.00 0.00 66.02 65.07 1vbz s SER 46 CO 0.01 -0.23 1.44 0.54 1.20 0.00 0.00 173.24 176.20 1vbz n ARG 47 N 2.17 3.19 -1.04 5.44 5.12 -1.26 -2.84 116.66 127.45 1vbz n ARG 47 Ca -0.18 -2.69 -0.29 0.00 -1.93 0.00 0.00 57.85 52.76 1vbz n ARG 47 Cb 0.57 -1.75 0.17 0.00 -1.16 0.00 0.00 32.46 30.29 1vbz n ARG 47 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1vbz s SER 48 N -1.49 2.75 0.26 0.55 0.01 -1.26 -4.47 113.70 110.05 1vbz s SER 48 Ca 0.40 1.46 -0.02 0.00 1.31 0.00 0.00 55.95 59.10 1vbz s SER 48 Cb 0.29 -2.13 0.48 0.00 0.21 0.00 0.00 66.02 64.87 1vbz s SER 48 CO 0.13 -3.09 1.79 0.25 0.41 0.00 0.00 173.24 172.73 1vbz h LEU 49 N -1.86 0.62 0.07 2.44 5.85 -1.96 0.34 115.31 120.81 1vbz h LEU 49 Ca -0.53 0.07 -0.27 0.00 0.84 0.00 0.00 57.88 57.99 1vbz h LEU 49 Cb 1.30 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1vbz h LEU 49 CO 0.54 0.31 -1.39 0.50 -0.34 0.00 0.00 178.44 178.05 1vbz h LYS 50 N 0.72 0.14 -0.01 1.25 3.64 -1.97 -3.38 116.57 116.97 1vbz h LYS 50 Ca 0.44 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1vbz h LYS 50 Cb 0.52 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1vbz h LYS 50 CO -0.31 0.99 -0.69 -1.33 -2.27 0.00 0.00 179.45 175.84 1vbz n MET 51 N -3.36 1.13 -1.16 1.90 2.81 -1.02 -5.00 117.12 112.42 1vbz n MET 51 Ca -0.11 -0.35 -0.34 0.00 -1.81 0.00 0.00 57.70 55.08 1vbz n MET 51 Cb 1.01 -1.37 0.11 0.00 -0.71 0.00 0.00 33.22 32.27 1vbz n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1vbz n ARG 52 N -0.90 0.24 -0.95 0.03 1.85 0.12 -2.80 116.66 114.24 1vbz n ARG 52 Ca 0.05 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1vbz n ARG 52 Cb 0.33 -2.31 0.00 0.00 -1.05 0.00 0.00 32.46 29.43 1vbz n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vbz n GLY 53 N 0.81 0.48 3.30 2.89 0.00 -1.26 -4.98 105.19 106.43 1vbz n GLY 53 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1vbz n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vbz s GLN 54 N -0.48 1.38 0.11 1.61 -0.21 -1.12 -1.82 119.66 119.13 1vbz s GLN 54 Ca 0.00 -1.75 -0.22 0.00 0.02 0.00 0.00 55.36 53.42 1vbz s GLN 54 Cb 0.00 -0.20 0.06 0.00 1.00 0.00 0.00 33.01 33.87 1vbz s GLN 54 CO 0.00 -0.30 0.54 0.00 -2.12 0.00 0.00 175.29 173.40 1vbz s ALA 55 N -3.80 -1.38 -0.28 6.09 0.00 0.82 -4.47 121.76 118.73 1vbz s ALA 55 Ca 0.38 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1vbz s ALA 55 Cb 0.08 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.94 1vbz s ALA 55 CO 0.13 -0.65 -0.02 -0.06 0.00 0.00 0.00 175.76 175.16 1vbz s PHE 56 N -3.28 3.00 -0.18 0.00 0.40 -0.48 -0.69 117.98 116.75 1vbz s PHE 56 Ca -0.01 -2.31 -0.17 0.00 -0.60 0.00 0.00 56.93 53.84 1vbz s PHE 56 Cb -0.00 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1vbz s PHE 56 CO -0.09 -0.87 0.45 0.08 0.70 0.00 0.00 175.22 175.50 1vbz s VAL 57 N 1.18 5.17 -0.37 -0.44 1.01 -0.32 -0.95 120.40 125.68 1vbz s VAL 57 Ca -0.00 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1vbz s VAL 57 Cb -0.19 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1vbz s VAL 57 CO -0.08 0.24 0.14 -0.63 0.00 0.00 0.00 175.10 174.77 1vbz s ILE 58 N 1.26 3.49 0.34 2.22 1.01 0.26 -0.87 121.20 128.92 1vbz s ILE 58 Ca 0.22 -1.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 1vbz s ILE 58 Cb -0.15 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 1vbz s ILE 58 CO 0.09 -0.40 0.76 -0.36 0.00 0.00 0.00 174.94 175.03 1vbz s PHE 59 N 1.28 3.38 0.07 3.97 0.08 -0.09 0.19 117.98 126.86 1vbz s PHE 59 Ca 0.02 1.24 -0.17 0.00 0.12 0.00 0.00 56.93 58.14 1vbz s PHE 59 Cb -0.21 -2.56 -0.12 0.00 -0.57 0.00 0.00 43.02 39.55 1vbz s PHE 59 CO -0.01 0.05 1.36 -0.22 -0.10 0.00 0.00 175.22 176.30 1vbz h LYS 60 N 2.10 0.59 -5.30 0.44 3.64 -1.73 -3.43 116.57 112.87 1vbz h LYS 60 Ca -0.48 -0.35 -0.66 0.00 -1.27 0.00 0.00 60.65 57.89 1vbz h LYS 60 Cb 1.18 0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 32.74 1vbz h LYS 60 CO 0.65 0.95 -0.79 -1.21 -2.27 0.00 0.00 179.45 176.78 1vbz s GLU 61 N -4.18 3.31 0.55 1.90 2.02 -1.26 -5.00 118.70 116.04 1vbz s GLU 61 Ca -0.13 -0.72 0.42 0.00 0.02 0.00 0.00 54.97 54.56 1vbz s GLU 61 Cb 0.07 -2.59 1.62 0.00 0.10 0.00 0.00 34.13 33.33 1vbz s GLU 61 CO 0.81 0.17 1.71 0.28 0.02 0.00 0.00 175.26 178.26 1vbz h VAL 62 N 5.49 0.25 -0.47 2.63 2.07 -1.85 0.18 116.25 124.56 1vbz h VAL 62 Ca -0.26 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1vbz h VAL 62 Cb 1.21 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1vbz h VAL 62 CO 0.55 0.00 -0.15 0.77 0.02 0.00 0.00 177.57 178.75 1vbz h SER 63 N 0.00 0.89 0.11 0.57 4.64 -1.94 -1.50 113.55 116.32 1vbz h SER 63 Ca 0.70 -0.30 0.02 0.00 -0.47 0.00 0.00 61.79 61.74 1vbz h SER 63 Cb 2.84 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 64.65 1vbz h SER 63 CO -0.01 1.04 -0.23 0.28 -0.87 0.00 0.00 176.83 177.04 1vbz h SER 64 N 0.79 -0.65 -0.20 4.97 0.02 -0.81 0.79 113.55 118.47 1vbz h SER 64 Ca 0.12 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1vbz h SER 64 Cb 0.68 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 1vbz h SER 64 CO 0.05 -0.32 -0.13 0.00 -1.14 0.00 0.00 176.83 175.30 1vbz h ALA 65 N 0.36 0.03 0.00 3.77 0.00 -1.51 0.22 119.26 122.13 1vbz h ALA 65 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1vbz h ALA 65 Cb 0.45 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1vbz h ALA 65 CO -0.13 -0.55 -0.22 1.15 0.00 0.00 0.00 179.25 179.49 1vbz h THR 66 N -0.12 0.48 0.08 0.00 2.02 -0.64 0.59 112.91 115.32 1vbz h THR 66 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1vbz h THR 66 Cb 0.29 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1vbz h THR 66 CO -0.27 0.00 -0.31 0.78 0.37 0.00 0.00 175.52 176.09 1vbz h ASN 67 N -0.35 -0.90 -0.85 4.18 4.21 0.11 -1.25 115.58 120.73 1vbz h ASN 67 Ca 0.06 0.11 0.17 0.00 1.21 0.00 0.00 56.30 57.85 1vbz h ASN 67 Cb 0.43 0.35 -0.06 0.00 -1.12 0.00 0.00 38.32 37.92 1vbz h ASN 67 CO -0.20 -0.39 0.56 0.00 -1.29 0.00 0.00 177.43 176.11 1vbz h ALA 68 N 0.19 2.09 0.69 -0.83 0.00 0.00 0.01 119.26 121.41 1vbz h ALA 68 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vbz h ALA 68 Cb 0.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1vbz h ALA 68 CO -0.21 -0.34 -0.33 1.25 0.00 0.00 0.00 179.25 179.62 1vbz h LEU 69 N 0.47 -0.78 -1.47 0.00 5.85 0.13 -1.95 115.31 117.56 1vbz h LEU 69 Ca 0.43 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 1vbz h LEU 69 Cb 0.96 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1vbz h LEU 69 CO -0.17 -0.42 0.04 0.03 -0.34 0.00 0.00 178.44 177.59 1vbz h ARG 70 N -1.18 0.39 0.12 1.25 3.08 -0.89 -2.95 114.38 114.20 1vbz h ARG 70 Ca -0.09 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.69 1vbz h ARG 70 Cb 0.73 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1vbz h ARG 70 CO 0.15 0.38 -0.90 0.77 -1.07 0.00 0.00 179.97 179.31 1vbz h SER 71 N 0.39 0.59 -0.25 7.04 0.02 -1.01 -3.36 113.55 116.96 1vbz h SER 71 Ca 0.09 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1vbz h SER 71 Cb 0.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vbz h SER 71 CO -0.00 1.42 0.00 0.23 -1.14 0.00 0.00 176.83 177.34 1vbz n MET 72 N -4.05 2.13 -1.70 3.45 2.81 -0.74 -4.91 117.12 114.11 1vbz n MET 72 Ca -0.13 -1.70 -0.44 0.00 -1.81 0.00 0.00 57.70 53.62 1vbz n MET 72 Cb 0.84 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.86 1vbz n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1vbz n GLN 73 N 0.94 2.53 -0.96 0.03 -0.06 -1.11 -1.17 117.38 117.58 1vbz n GLN 73 Ca 0.17 0.91 0.00 0.00 -2.00 0.00 0.00 57.00 56.09 1vbz n GLN 73 Cb 0.48 -2.73 0.00 0.00 -4.06 0.00 0.00 30.24 23.93 1vbz n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vbz n GLY 74 N 3.76 0.79 3.70 1.69 0.00 0.10 -4.98 105.19 110.25 1vbz n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1vbz n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vbz s PHE 75 N -3.24 2.56 -0.18 1.61 5.36 -0.32 -4.20 117.98 119.58 1vbz s PHE 75 Ca 0.00 0.23 -0.29 0.00 -0.96 0.00 0.00 56.93 55.91 1vbz s PHE 75 Cb 0.00 -4.11 -0.04 0.00 -0.34 0.00 0.00 43.02 38.53 1vbz s PHE 75 CO 0.00 -4.38 1.80 -2.14 -1.46 0.00 0.00 175.22 169.04 1vbz s PRO 76 N 1.97 3.71 -0.06 10.12 0.02 -1.26 -0.42 135.00 149.08 1vbz s PRO 76 Ca 0.77 1.89 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 1vbz s PRO 76 Cb -0.46 -4.13 0.02 0.00 0.02 0.00 0.00 34.50 29.95 1vbz s PRO 76 CO 0.34 -1.41 -0.03 0.12 -0.33 0.00 0.00 177.00 175.68 1vbz s PHE 77 N 5.73 0.79 -1.51 6.54 5.36 0.22 -4.75 117.98 130.34 1vbz s PHE 77 Ca 0.80 -0.24 -0.06 0.00 -0.96 0.00 0.00 56.93 56.47 1vbz s PHE 77 Cb -0.29 -0.77 0.05 0.00 -0.34 0.00 0.00 43.02 41.67 1vbz s PHE 77 CO 0.33 -0.27 0.53 0.66 -1.46 0.00 0.00 175.22 175.01 1vbz n TYR 78 N 4.55 -1.68 -1.03 10.12 4.01 -1.26 -0.38 117.16 131.50 1vbz n TYR 78 Ca -0.17 0.76 -0.01 0.00 -0.16 0.00 0.00 57.90 58.33 1vbz n TYR 78 Cb 0.50 -3.46 -0.00 0.00 -0.31 0.00 0.00 39.34 36.07 1vbz n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1vbz n ASP 79 N -2.87 -4.91 -4.19 7.72 8.00 -1.26 -4.71 116.55 114.32 1vbz n ASP 79 Ca -0.18 0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.14 1vbz n ASP 79 Cb 0.62 -2.50 -0.13 0.00 -0.02 0.00 0.00 41.12 39.09 1vbz n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vbz s LYS 80 N -1.43 0.97 -0.42 -1.24 1.02 0.49 -5.08 119.74 114.05 1vbz s LYS 80 Ca 0.00 -0.91 -0.29 0.00 0.02 0.00 0.00 55.97 54.80 1vbz s LYS 80 Cb 0.00 -1.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.31 1vbz s LYS 80 CO 0.00 0.24 1.10 -2.14 -0.92 0.00 0.00 175.35 173.64 1vbz s PRO 81 N -1.47 3.83 0.16 -1.68 0.02 -1.26 0.69 135.00 135.29 1vbz s PRO 81 Ca 0.02 0.71 -0.31 0.00 0.02 0.00 0.00 61.00 61.43 1vbz s PRO 81 Cb -0.09 -3.85 -0.11 0.00 0.02 0.00 0.00 34.50 30.47 1vbz s PRO 81 CO 0.02 -1.21 1.75 1.41 -0.33 0.00 0.00 177.00 178.64 1vbz s MET 82 N 4.15 4.14 -0.19 5.54 1.75 0.44 -4.80 119.30 130.33 1vbz s MET 82 Ca 0.46 2.57 -0.06 0.00 -1.25 0.00 0.00 55.69 57.41 1vbz s MET 82 Cb -0.09 -3.33 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 1vbz s MET 82 CO 0.26 -0.78 0.03 0.50 -0.65 0.00 0.00 175.02 174.38 1vbz s ARG 83 N 1.91 3.76 0.16 4.11 3.52 -0.85 0.00 118.95 131.56 1vbz s ARG 83 Ca 0.77 -0.45 0.09 0.00 -0.13 0.00 0.00 55.73 56.01 1vbz s ARG 83 Cb -0.47 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1vbz s ARG 83 CO 0.34 0.11 -0.20 0.42 -0.81 0.00 0.00 175.30 175.16 1vbz s ILE 84 N 0.76 1.95 0.36 4.11 1.01 -1.26 -0.80 121.20 127.33 1vbz s ILE 84 Ca 0.02 -1.88 -0.17 0.00 0.00 0.00 0.00 60.65 58.62 1vbz s ILE 84 Cb -0.14 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.50 1vbz s ILE 84 CO 0.02 -0.21 0.77 -1.10 0.00 0.00 0.00 174.94 174.42 1vbz s GLN 85 N -2.60 2.13 0.17 2.79 -0.21 -0.15 -5.00 119.66 116.79 1vbz s GLN 85 Ca 0.15 -1.35 -0.13 0.00 0.02 0.00 0.00 55.36 54.06 1vbz s GLN 85 Cb -0.07 0.62 -0.07 0.00 1.00 0.00 0.00 33.01 34.49 1vbz s GLN 85 CO 0.07 -0.99 0.55 0.71 -2.12 0.00 0.00 175.29 173.51 1vbz s TYR 86 N -2.68 3.56 0.58 0.91 2.02 -1.26 0.04 117.35 120.51 1vbz s TYR 86 Ca 0.15 1.01 -0.19 0.00 -0.37 0.00 0.00 57.07 57.67 1vbz s TYR 86 Cb -0.05 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1vbz s TYR 86 CO 0.11 0.39 1.17 0.00 -1.57 0.00 0.00 175.55 175.65 1vbz s ALA 87 N -1.56 2.60 0.21 3.71 0.00 -0.28 -4.58 121.76 121.87 1vbz s ALA 87 Ca 0.40 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 1vbz s ALA 87 Cb -0.14 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.78 1vbz s ALA 87 CO 0.20 -1.02 1.84 0.87 0.00 0.00 0.00 175.76 177.65 1vbz h LYS 88 N 0.98 0.82 0.00 0.00 1.57 -1.92 -3.45 116.57 114.56 1vbz h LYS 88 Ca -0.50 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1vbz h LYS 88 Cb 1.28 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1vbz h LYS 88 CO 0.56 0.54 -0.02 0.25 -0.57 0.00 0.00 179.45 180.21 1vbz n THR 89 N -4.68 0.00 -3.42 -0.16 -2.24 -1.26 -4.91 114.28 97.62 1vbz n THR 89 Ca 0.08 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1vbz n THR 89 Cb 0.11 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 1vbz n THR 89 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1vbz s ASP 90 N -1.08 6.89 0.45 3.42 1.11 -1.26 -4.87 116.67 121.32 1vbz s ASP 90 Ca 0.01 1.06 -0.21 0.00 0.18 0.00 0.00 52.55 53.58 1vbz s ASP 90 Cb 0.00 -2.29 -0.10 0.00 1.07 0.00 0.00 42.92 41.61 1vbz s ASP 90 CO 0.00 0.30 1.00 -0.44 1.18 0.00 0.00 175.17 177.21 1vbz s SER 91 N -1.01 6.64 0.21 0.27 0.01 -1.26 -4.83 113.70 113.73 1vbz s SER 91 Ca 0.25 1.84 -0.12 0.00 1.31 0.00 0.00 55.95 59.24 1vbz s SER 91 Cb -0.18 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.78 1vbz s SER 91 CO 0.15 -0.57 1.65 0.44 0.41 0.00 0.00 173.24 175.32 1vbz h ASP 92 N 1.83 -0.38 -0.95 2.44 3.32 -1.98 0.78 116.42 121.47 1vbz h ASP 92 Ca -0.49 0.17 0.30 0.00 0.02 0.00 0.00 57.03 57.02 1vbz h ASP 92 Cb 1.20 0.31 -0.15 0.00 0.22 0.00 0.00 39.33 40.91 1vbz h ASP 92 CO 0.60 -0.15 0.38 0.16 -1.72 0.00 0.00 179.24 178.51 1vbz h ILE 93 N 0.07 0.24 -0.05 0.35 -2.65 -1.98 0.41 117.51 113.91 1vbz h ILE 93 Ca 0.32 -0.07 -0.24 0.00 1.03 0.00 0.00 64.86 65.90 1vbz h ILE 93 Cb 0.51 0.01 0.01 0.00 -2.05 0.00 0.00 36.82 35.31 1vbz h ILE 93 CO -0.57 0.04 -0.92 0.40 0.03 0.00 0.00 178.15 177.13 1vbz h ILE 94 N 0.21 1.32 -0.33 0.16 1.08 -1.24 -3.24 117.51 115.46 1vbz h ILE 94 Ca 0.66 -2.22 0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1vbz h ILE 94 Cb 1.48 2.26 -0.04 0.00 -3.07 0.00 0.00 36.82 37.46 1vbz h ILE 94 CO -0.68 0.68 0.12 0.00 -0.69 0.00 0.00 178.15 177.58 1vbz h ALA 95 N 0.59 0.39 0.00 1.87 0.00 0.37 -2.24 119.26 120.24 1vbz h ALA 95 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vbz h ALA 95 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1vbz h ALA 95 CO 0.17 -0.28 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1vbz n LYS 96 N -5.02 0.00 0.00 0.00 5.02 0.64 -3.40 118.16 115.41 1vbz n LYS 96 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1vbz n LYS 96 Cb 0.12 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1vbz n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vbz n MET 97 N 0.49 0.00 0.00 1.97 2.81 -0.94 -5.07 117.12 116.38 1vbz n MET 97 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1vbz n MET 97 Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.61 1vbz n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11