#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbx n GLU 5 N 0.00 -2.53 -4.37 -0.52 0.00 -1.26 -5.03 120.64 106.93 1vbx n GLU 5 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 57.16 56.16 1vbx n GLU 5 Cb 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 29.86 1vbx n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1vbx s THR 6 N -2.06 2.89 0.35 3.84 2.01 -1.26 -5.13 115.64 116.27 1vbx s THR 6 Ca 0.36 -2.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.23 1vbx s THR 6 Cb -0.06 -2.48 -0.07 0.00 0.01 0.00 0.00 72.50 69.89 1vbx s THR 6 CO 0.31 -0.26 0.72 -0.13 -0.69 0.00 0.00 174.62 174.57 1vbx s ARG 7 N -3.21 3.85 0.34 4.92 1.81 -1.26 -4.91 118.95 120.50 1vbx s ARG 7 Ca 0.27 0.49 -0.26 0.00 -1.72 0.00 0.00 55.73 54.51 1vbx s ARG 7 Cb -0.07 -2.45 -0.13 0.00 -0.45 0.00 0.00 34.95 31.85 1vbx s ARG 7 CO 0.15 0.09 0.88 -2.30 -0.68 0.00 0.00 175.30 173.44 1vbx n PRO 8 N -0.81 1.10 -3.98 3.54 -0.02 -1.26 -4.75 135.00 128.82 1vbx n PRO 8 Ca 0.02 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1vbx n PRO 8 Cb 0.53 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.18 1vbx n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vbx s ASN 9 N -0.71 0.08 0.48 2.55 3.84 -1.26 -5.02 114.94 114.90 1vbx s ASN 9 Ca 0.61 -0.90 0.27 0.00 0.21 0.00 0.00 52.86 53.04 1vbx s ASN 9 Cb -0.66 0.41 1.08 0.00 -0.55 0.00 0.00 41.25 41.52 1vbx s ASN 9 CO 0.59 -0.86 1.89 0.45 -2.79 0.00 0.00 177.10 176.37 1vbx h HIS 10 N 2.60 0.00 -3.73 0.43 3.86 -1.91 -3.44 115.15 112.97 1vbx h HIS 10 Ca -0.32 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.20 1vbx h HIS 10 Cb 1.22 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.50 1vbx h HIS 10 CO 0.41 0.16 -0.72 0.99 0.86 0.00 0.00 177.93 179.63 1vbx s THR 11 N -3.70 3.52 -0.08 2.45 2.01 -1.26 -1.36 115.64 117.21 1vbx s THR 11 Ca 0.00 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.33 1vbx s THR 11 Cb 0.10 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1vbx s THR 11 CO 0.61 0.51 -0.05 0.27 -0.69 0.00 0.00 174.62 175.27 1vbx s ILE 12 N -0.87 3.84 -0.26 1.82 -4.36 -0.38 -1.67 121.20 119.33 1vbx s ILE 12 Ca 0.14 -0.42 -0.09 0.00 -0.26 0.00 0.00 60.65 60.02 1vbx s ILE 12 Cb -0.11 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 1vbx s ILE 12 CO 0.04 0.59 0.13 -0.47 0.24 0.00 0.00 174.94 175.47 1vbx s TYR 13 N -0.68 3.17 -0.06 1.37 6.14 0.25 -1.77 117.35 125.78 1vbx s TYR 13 Ca 0.10 -0.09 0.03 0.00 0.64 0.00 0.00 57.07 57.75 1vbx s TYR 13 Cb -0.11 -2.30 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 1vbx s TYR 13 CO 0.02 -0.21 -0.12 0.42 0.64 0.00 0.00 175.55 176.30 1vbx s ILE 14 N 1.60 3.28 0.27 3.14 1.01 -0.23 -0.93 121.20 129.35 1vbx s ILE 14 Ca 0.07 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1vbx s ILE 14 Cb -0.15 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1vbx s ILE 14 CO 0.07 0.59 0.33 -0.46 0.00 0.00 0.00 174.94 175.47 1vbx n ASN 15 N 2.30 -0.89 -1.53 3.58 6.94 -0.37 -0.70 115.26 124.60 1vbx n ASN 15 Ca -0.17 -2.60 -0.11 0.00 -0.02 0.00 0.00 54.58 51.67 1vbx n ASN 15 Cb 0.52 1.77 0.01 0.00 -2.36 0.00 0.00 39.78 39.72 1vbx n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vbx n ASN 16 N -1.81 -3.80 -4.87 0.53 4.05 -0.74 -2.16 115.26 106.45 1vbx n ASN 16 Ca 0.03 -0.10 -0.31 0.00 0.45 0.00 0.00 54.58 54.64 1vbx n ASN 16 Cb 0.47 -2.82 -0.05 0.00 1.23 0.00 0.00 39.78 38.62 1vbx n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1vbx s LEU 17 N -3.50 4.06 -0.18 1.20 1.43 -0.75 -4.61 118.68 116.33 1vbx s LEU 17 Ca 0.10 1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1vbx s LEU 17 Cb -0.05 -3.83 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 1vbx s LEU 17 CO 0.13 -0.19 2.03 0.21 0.23 0.00 0.00 176.35 178.76 1vbx s ASN 18 N -2.60 5.84 0.21 2.29 3.84 -1.26 -4.55 114.94 118.71 1vbx s ASN 18 Ca 0.49 1.92 0.23 0.00 0.21 0.00 0.00 52.86 55.72 1vbx s ASN 18 Cb -0.11 -2.52 0.92 0.00 -0.55 0.00 0.00 41.25 38.99 1vbx s ASN 18 CO 0.23 -1.65 1.69 -0.62 -2.79 0.00 0.00 177.10 173.96 1vbx n GLU 19 N 8.32 0.17 -0.00 0.43 1.02 -1.26 -2.92 120.64 126.41 1vbx n GLU 19 Ca 0.25 0.37 0.07 0.00 -0.02 0.00 0.00 57.16 57.83 1vbx n GLU 19 Cb 0.44 -1.81 0.43 0.00 -0.02 0.00 0.00 31.44 30.49 1vbx n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vbx n LYS 20 N -2.13 1.00 -3.48 3.49 5.02 -1.26 -4.81 118.16 115.99 1vbx n LYS 20 Ca 0.03 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 1vbx n LYS 20 Cb 0.25 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1vbx n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vbx s ILE 21 N -2.00 5.27 0.60 -0.18 1.09 -1.15 -5.06 121.20 119.77 1vbx s ILE 21 Ca 0.22 0.60 -0.20 0.00 -1.10 0.00 0.00 60.65 60.17 1vbx s ILE 21 Cb 0.10 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1vbx s ILE 21 CO 0.17 0.34 1.34 -0.54 -0.10 0.00 0.00 174.94 176.15 1vbx s LYS 22 N 0.77 2.85 0.17 2.79 1.02 -1.26 -4.76 119.74 121.32 1vbx s LYS 22 Ca 0.17 2.18 -0.19 0.00 0.02 0.00 0.00 55.97 58.16 1vbx s LYS 22 Cb -0.14 -2.06 0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1vbx s LYS 22 CO 0.06 -1.40 1.65 -0.22 -0.92 0.00 0.00 175.35 174.51 1vbx h LYS 23 N 1.02 -0.09 -0.80 1.68 3.64 -1.97 -1.05 116.57 119.00 1vbx h LYS 23 Ca -0.51 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1vbx h LYS 23 Cb 1.32 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1vbx h LYS 23 CO 0.55 -0.06 0.53 0.22 -2.27 0.00 0.00 179.45 178.42 1vbx h ASP 24 N -0.10 0.92 -0.29 4.20 3.58 -1.97 -1.07 116.42 121.69 1vbx h ASP 24 Ca 0.19 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1vbx h ASP 24 Cb 0.39 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1vbx h ASP 24 CO -0.44 0.67 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.40 1vbx h GLU 25 N 1.09 0.58 -0.08 0.28 4.81 -1.81 -2.63 114.58 116.81 1vbx h GLU 25 Ca 0.29 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1vbx h GLU 25 Cb -0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1vbx h GLU 25 CO -0.06 0.79 -0.06 1.25 -0.73 0.00 0.00 179.01 180.20 1vbx h LEU 26 N 0.33 -0.18 -0.85 1.64 5.85 -0.94 0.79 115.31 121.95 1vbx h LEU 26 Ca 0.07 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1vbx h LEU 26 Cb 0.60 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1vbx h LEU 26 CO 0.03 -0.08 0.49 0.11 -0.34 0.00 0.00 178.44 178.66 1vbx h LYS 27 N -0.06 0.78 0.68 1.25 1.57 -1.16 0.27 116.57 119.90 1vbx h LYS 27 Ca 0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1vbx h LYS 27 Cb 0.14 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1vbx h LYS 27 CO -0.12 0.52 -0.33 0.87 -0.57 0.00 0.00 179.45 179.82 1vbx h LYS 28 N 0.80 -0.88 -0.95 3.15 1.79 -0.97 -1.86 116.57 117.65 1vbx h LYS 28 Ca 0.42 0.06 0.20 0.00 -2.18 0.00 0.00 60.65 59.15 1vbx h LYS 28 Cb 0.42 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.18 1vbx h LYS 28 CO -0.26 -0.56 0.61 0.77 -1.08 0.00 0.00 179.45 178.93 1vbx h SER 29 N -1.11 0.57 -0.51 0.86 0.02 -0.58 -0.37 113.55 112.43 1vbx h SER 29 Ca -0.09 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1vbx h SER 29 Cb 0.74 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1vbx h SER 29 CO 0.15 0.22 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.97 1vbx h LEU 30 N 0.57 0.94 -0.66 5.07 3.38 -0.75 -2.31 115.31 121.54 1vbx h LEU 30 Ca 0.51 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 1vbx h LEU 30 Cb 1.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1vbx h LEU 30 CO -0.25 1.01 -0.40 -0.74 0.09 0.00 0.00 178.44 178.15 1vbx h HIS 31 N 0.88 0.69 -0.86 1.13 2.76 -0.27 -1.52 115.15 117.95 1vbx h HIS 31 Ca 0.16 -0.20 0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1vbx h HIS 31 Cb 0.55 -0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.29 1vbx h HIS 31 CO 0.03 0.89 0.50 0.00 -1.30 0.00 0.00 177.93 178.05 1vbx h ALA 32 N 1.08 1.25 -0.01 5.26 0.00 -0.60 -1.40 119.26 124.84 1vbx h ALA 32 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vbx h ALA 32 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1vbx h ALA 32 CO 0.08 0.10 -0.52 0.44 0.00 0.00 0.00 179.25 179.35 1vbx n ILE 33 N -4.74 0.00 -0.01 0.00 -5.35 -1.11 -4.52 119.36 103.64 1vbx n ILE 33 Ca 0.15 -0.24 0.05 0.00 -0.27 0.00 0.00 62.75 62.44 1vbx n ILE 33 Cb 0.31 1.22 -0.09 0.00 -1.74 0.00 0.00 39.64 39.34 1vbx n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vbx n PHE 34 N -0.21 0.00 0.22 4.28 3.72 -0.58 -4.62 117.46 120.28 1vbx n PHE 34 Ca 0.08 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 1vbx n PHE 34 Cb 0.44 -0.30 0.81 0.00 -0.94 0.00 0.00 39.48 39.48 1vbx n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vbx h SER 35 N 0.00 0.00 1.02 4.37 4.64 -1.49 -1.95 113.55 120.14 1vbx h SER 35 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1vbx h SER 35 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1vbx h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1vbx n ARG 36 N -2.54 0.11 0.02 4.77 1.85 -1.26 -3.02 116.66 116.59 1vbx n ARG 36 Ca -0.02 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.13 1vbx n ARG 36 Cb 0.05 -1.65 0.34 0.00 -1.05 0.00 0.00 32.46 30.15 1vbx n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1vbx n PHE 37 N -1.84 0.16 0.00 2.89 3.72 -0.73 -5.01 117.46 116.64 1vbx n PHE 37 Ca 0.05 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1vbx n PHE 37 Cb 0.32 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1vbx n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vbx n GLY 38 N 1.46 2.43 3.71 1.37 0.00 -1.17 -4.33 105.19 108.66 1vbx n GLY 38 Ca 0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1vbx n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vbx n GLN 39 N -1.55 2.16 -3.97 1.61 7.27 -1.26 -4.67 117.38 116.97 1vbx n GLN 39 Ca 0.00 0.76 -0.34 0.00 0.07 0.00 0.00 57.00 57.49 1vbx n GLN 39 Cb 0.00 -2.37 -0.15 0.00 2.41 0.00 0.00 30.24 30.13 1vbx n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1vbx s ILE 40 N -1.11 2.94 0.14 1.69 1.01 -1.26 -1.61 121.20 122.99 1vbx s ILE 40 Ca 0.56 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1vbx s ILE 40 Cb -0.55 -2.35 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 1vbx s ILE 40 CO 0.62 0.41 1.40 -0.07 0.00 0.00 0.00 174.94 177.30 1vbx h LEU 41 N 8.05 0.85 -7.27 2.97 3.38 -0.39 -3.48 115.31 119.42 1vbx h LEU 41 Ca -0.41 -0.50 0.28 0.00 0.09 0.00 0.00 57.88 57.34 1vbx h LEU 41 Cb 1.14 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 1vbx h LEU 41 CO 0.61 1.28 0.75 -0.62 0.09 0.00 0.00 178.44 180.54 1vbx s ASP 42 N -7.00 -0.10 -0.09 -0.43 2.15 -1.13 -5.03 116.67 105.04 1vbx s ASP 42 Ca -0.09 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 1vbx s ASP 42 Cb 0.10 0.23 0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1vbx s ASP 42 CO 0.88 -0.42 0.04 -0.63 -0.17 0.00 0.00 175.17 174.87 1vbx s ILE 43 N -2.62 0.16 -0.17 4.11 1.01 -1.26 -0.41 121.20 122.03 1vbx s ILE 43 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 1vbx s ILE 43 Cb 0.03 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1vbx s ILE 43 CO -0.03 0.10 0.09 -0.76 0.00 0.00 0.00 174.94 174.34 1vbx s LEU 44 N 2.05 4.03 -0.04 2.97 1.02 -0.34 -4.94 118.68 123.44 1vbx s LEU 44 Ca 0.04 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.37 1vbx s LEU 44 Cb -0.13 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.09 1vbx s LEU 44 CO -0.05 0.24 0.09 -0.69 0.02 0.00 0.00 176.35 175.95 1vbx s VAL 45 N 0.01 -0.03 0.03 -1.59 1.01 -1.26 -1.36 120.40 117.20 1vbx s VAL 45 Ca 0.08 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1vbx s VAL 45 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1vbx s VAL 45 CO 0.00 0.04 -0.12 -0.55 0.00 0.00 0.00 175.10 174.48 1vbx s SER 46 N 0.59 1.35 0.00 3.32 0.15 -1.26 -5.03 113.70 112.82 1vbx s SER 46 Ca -0.05 -0.39 0.16 0.00 0.70 0.00 0.00 55.95 56.38 1vbx s SER 46 Cb -0.06 -0.09 0.44 0.00 -1.71 0.00 0.00 66.02 64.60 1vbx s SER 46 CO -0.02 0.02 1.36 0.54 1.20 0.00 0.00 173.24 176.33 1vbx n ARG 47 N 2.11 2.67 -0.61 5.44 5.12 -1.26 -3.04 116.66 127.09 1vbx n ARG 47 Ca -0.17 -2.27 -0.28 0.00 -1.93 0.00 0.00 57.85 53.20 1vbx n ARG 47 Cb 0.55 -1.40 0.25 0.00 -1.16 0.00 0.00 32.46 30.70 1vbx n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1vbx s SER 48 N -1.04 0.85 0.32 0.55 1.04 -1.26 -4.50 113.70 109.65 1vbx s SER 48 Ca 0.34 1.36 0.01 0.00 0.48 0.00 0.00 55.95 58.14 1vbx s SER 48 Cb 0.18 -2.11 0.55 0.00 0.10 0.00 0.00 66.02 64.74 1vbx s SER 48 CO 0.24 -4.26 1.95 0.25 0.98 0.00 0.00 173.24 172.40 1vbx h LEU 49 N -2.66 0.86 0.00 2.42 5.85 -1.98 -1.31 115.31 118.49 1vbx h LEU 49 Ca -0.60 -0.01 -0.25 0.00 0.84 0.00 0.00 57.88 57.86 1vbx h LEU 49 Cb 1.34 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1vbx h LEU 49 CO 0.50 0.59 -1.44 0.50 -0.34 0.00 0.00 178.44 178.24 1vbx h LYS 50 N 1.00 0.00 -0.02 1.25 3.64 -1.97 -3.39 116.57 117.08 1vbx h LYS 50 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1vbx h LYS 50 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1vbx h LYS 50 CO -0.10 0.63 -0.11 -1.33 -2.27 0.00 0.00 179.45 176.27 1vbx n MET 51 N -3.13 1.67 -1.67 1.90 2.81 -1.14 -5.01 117.12 112.55 1vbx n MET 51 Ca -0.11 -1.44 -0.33 0.00 -1.81 0.00 0.00 57.70 54.01 1vbx n MET 51 Cb 0.99 -1.37 0.06 0.00 -0.71 0.00 0.00 33.22 32.19 1vbx n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vbx s ARG 52 N -1.78 2.63 0.00 0.03 1.70 -0.51 -3.38 118.95 117.65 1vbx s ARG 52 Ca 0.21 1.46 0.00 0.00 -0.47 0.00 0.00 55.73 56.93 1vbx s ARG 52 Cb 0.16 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.62 1vbx s ARG 52 CO 0.31 -1.39 0.00 0.41 -1.08 0.00 0.00 175.30 173.55 1vbx n GLY 53 N -0.34 0.53 3.49 3.88 0.00 -1.26 -4.96 105.19 106.53 1vbx n GLY 53 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1vbx n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vbx s GLN 54 N -0.35 1.78 -0.17 1.61 -0.21 -1.22 -1.79 119.66 119.32 1vbx s GLN 54 Ca 0.00 -2.04 -0.30 0.00 0.02 0.00 0.00 55.36 53.04 1vbx s GLN 54 Cb 0.00 -0.78 0.13 0.00 1.00 0.00 0.00 33.01 33.36 1vbx s GLN 54 CO 0.00 -0.31 1.02 0.00 -2.12 0.00 0.00 175.29 173.87 1vbx s ALA 55 N -3.26 -1.94 -0.24 6.09 0.00 0.12 -4.61 121.76 117.92 1vbx s ALA 55 Ca 0.30 1.61 -0.00 0.00 0.00 0.00 0.00 51.96 53.87 1vbx s ALA 55 Cb 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1vbx s ALA 55 CO 0.14 -0.30 -0.09 -0.06 0.00 0.00 0.00 175.76 175.45 1vbx s PHE 56 N -1.06 3.07 -0.31 0.00 0.40 -0.46 -1.06 117.98 118.55 1vbx s PHE 56 Ca -0.01 -1.74 -0.13 0.00 -0.60 0.00 0.00 56.93 54.44 1vbx s PHE 56 Cb -0.01 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1vbx s PHE 56 CO 0.01 -0.78 0.27 0.08 0.70 0.00 0.00 175.22 175.50 1vbx s VAL 57 N 1.27 5.25 -0.52 -0.44 1.01 -0.73 -1.20 120.40 125.04 1vbx s VAL 57 Ca -0.01 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1vbx s VAL 57 Cb -0.17 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.67 1vbx s VAL 57 CO -0.06 0.10 0.47 -0.63 0.00 0.00 0.00 175.10 174.98 1vbx s ILE 58 N 1.87 5.08 0.36 2.22 1.01 0.46 -1.25 121.20 130.95 1vbx s ILE 58 Ca 0.09 -1.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.02 1vbx s ILE 58 Cb -0.16 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 1vbx s ILE 58 CO 0.11 -0.83 0.93 -0.36 0.00 0.00 0.00 174.94 174.79 1vbx s PHE 59 N 1.57 3.53 0.02 3.97 0.08 -0.47 0.37 117.98 127.05 1vbx s PHE 59 Ca 0.03 1.68 -0.24 0.00 0.12 0.00 0.00 56.93 58.52 1vbx s PHE 59 Cb -0.29 -2.87 -0.17 0.00 -0.57 0.00 0.00 43.02 39.12 1vbx s PHE 59 CO 0.03 0.08 1.40 -0.22 -0.10 0.00 0.00 175.22 176.42 1vbx h LYS 60 N 2.65 0.09 -5.30 0.44 3.11 -1.57 -3.44 116.57 112.55 1vbx h LYS 60 Ca -0.48 -0.03 -0.65 0.00 -2.81 0.00 0.00 60.65 56.68 1vbx h LYS 60 Cb 1.19 -0.01 -0.24 0.00 -1.00 0.00 0.00 32.23 32.17 1vbx h LYS 60 CO 0.63 0.42 -0.72 -1.21 -2.81 0.00 0.00 179.45 175.77 1vbx s GLU 61 N -4.75 3.52 0.45 1.90 2.02 -1.26 -5.00 118.70 115.57 1vbx s GLU 61 Ca -0.15 -0.61 0.26 0.00 0.02 0.00 0.00 54.97 54.50 1vbx s GLU 61 Cb 0.04 -2.77 1.30 0.00 0.10 0.00 0.00 34.13 32.79 1vbx s GLU 61 CO 0.69 0.21 1.76 0.28 0.02 0.00 0.00 175.26 178.22 1vbx h VAL 62 N 5.29 0.42 -0.77 2.63 2.07 -1.85 0.26 116.25 124.30 1vbx h VAL 62 Ca -0.29 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1vbx h VAL 62 Cb 1.20 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1vbx h VAL 62 CO 0.59 0.04 0.46 0.77 0.02 0.00 0.00 177.57 179.45 1vbx h SER 63 N 0.22 0.72 -0.21 0.57 4.64 -1.94 0.15 113.55 117.69 1vbx h SER 63 Ca 0.63 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.99 1vbx h SER 63 Cb 1.94 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 1vbx h SER 63 CO -0.22 0.46 0.04 0.28 -0.87 0.00 0.00 176.83 176.52 1vbx h SER 64 N 0.85 0.01 -0.65 4.97 0.02 -0.68 0.31 113.55 118.39 1vbx h SER 64 Ca 0.33 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1vbx h SER 64 Cb 0.16 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1vbx h SER 64 CO -0.17 0.04 0.40 0.00 -1.14 0.00 0.00 176.83 175.96 1vbx h ALA 65 N 1.15 0.85 0.22 3.77 0.00 -1.33 0.13 119.26 124.04 1vbx h ALA 65 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vbx h ALA 65 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vbx h ALA 65 CO -0.13 0.16 -0.15 1.15 0.00 0.00 0.00 179.25 180.28 1vbx h THR 66 N 0.79 0.68 0.52 0.00 2.02 0.05 0.12 112.91 117.09 1vbx h THR 66 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1vbx h THR 66 Cb 0.03 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1vbx h THR 66 CO -0.11 0.00 -0.50 0.78 0.37 0.00 0.00 175.52 176.07 1vbx h ASN 67 N -0.36 -1.35 -1.01 4.18 4.21 -0.14 -1.34 115.58 119.77 1vbx h ASN 67 Ca -0.02 0.11 0.24 0.00 1.21 0.00 0.00 56.30 57.84 1vbx h ASN 67 Cb 0.31 0.44 -0.11 0.00 -1.12 0.00 0.00 38.32 37.84 1vbx h ASN 67 CO 0.01 -0.67 0.61 0.00 -1.29 0.00 0.00 177.43 176.10 1vbx h ALA 68 N -0.85 1.86 0.82 -0.83 0.00 -0.91 0.30 119.26 119.66 1vbx h ALA 68 Ca -0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1vbx h ALA 68 Cb 0.87 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1vbx h ALA 68 CO -0.05 -0.30 -0.39 1.25 0.00 0.00 0.00 179.25 179.76 1vbx h LEU 69 N 0.58 -0.93 -0.82 0.00 5.85 -0.03 -1.92 115.31 118.04 1vbx h LEU 69 Ca 0.62 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.34 1vbx h LEU 69 Cb 1.21 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 1vbx h LEU 69 CO -0.41 -0.61 0.44 0.03 -0.34 0.00 0.00 178.44 177.55 1vbx h ARG 70 N -1.21 1.15 -0.14 1.25 3.08 -0.18 -2.80 114.38 115.52 1vbx h ARG 70 Ca -0.11 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 1vbx h ARG 70 Cb 0.86 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1vbx h ARG 70 CO 0.19 0.86 -0.50 0.77 -1.07 0.00 0.00 179.97 180.21 1vbx h SER 71 N 1.15 0.42 -0.04 7.04 0.02 -0.46 -3.34 113.55 118.33 1vbx h SER 71 Ca 0.29 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1vbx h SER 71 Cb 0.05 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1vbx h SER 71 CO -0.04 0.85 0.00 0.23 -1.14 0.00 0.00 176.83 176.73 1vbx n MET 72 N -3.96 1.54 -1.65 3.45 2.81 -0.73 -4.92 117.12 113.66 1vbx n MET 72 Ca -0.02 -1.60 -0.47 0.00 -1.81 0.00 0.00 57.70 53.80 1vbx n MET 72 Cb 0.56 -1.35 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 1vbx n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1vbx n GLN 73 N 1.01 1.91 -0.96 0.03 -0.06 -1.06 -1.06 117.38 117.20 1vbx n GLN 73 Ca 0.11 0.69 0.00 0.00 -2.00 0.00 0.00 57.00 55.79 1vbx n GLN 73 Cb 0.45 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 1vbx n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vbx n GLY 74 N 3.00 0.87 3.72 1.69 0.00 -0.26 -5.00 105.19 109.21 1vbx n GLY 74 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1vbx n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vbx s PHE 75 N -3.58 2.95 -0.04 1.61 5.36 -0.22 -4.37 117.98 119.68 1vbx s PHE 75 Ca 0.00 0.50 -0.30 0.00 -0.96 0.00 0.00 56.93 56.18 1vbx s PHE 75 Cb 0.00 -4.00 -0.05 0.00 -0.34 0.00 0.00 43.02 38.63 1vbx s PHE 75 CO 0.00 -3.75 1.48 -2.14 -1.46 0.00 0.00 175.22 169.35 1vbx s PRO 76 N 1.31 4.23 -0.04 10.12 0.02 -1.26 -0.63 135.00 148.74 1vbx s PRO 76 Ca 0.72 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.74 1vbx s PRO 76 Cb -0.45 -3.74 0.03 0.00 0.02 0.00 0.00 34.50 30.36 1vbx s PRO 76 CO 0.32 -0.70 0.07 0.12 -0.33 0.00 0.00 177.00 176.48 1vbx s PHE 77 N 3.14 0.03 -1.40 6.54 5.36 0.90 -4.81 117.98 127.74 1vbx s PHE 77 Ca 0.66 0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.87 1vbx s PHE 77 Cb -0.31 -0.43 0.03 0.00 -0.34 0.00 0.00 43.02 41.97 1vbx s PHE 77 CO 0.26 -0.19 0.77 0.66 -1.46 0.00 0.00 175.22 175.26 1vbx n TYR 78 N 5.18 -2.02 -0.92 10.12 4.01 -1.26 -1.29 117.16 130.99 1vbx n TYR 78 Ca -0.06 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 1vbx n TYR 78 Cb 0.50 -4.17 0.00 0.00 -0.31 0.00 0.00 39.34 35.36 1vbx n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1vbx n ASP 79 N -2.97 -3.17 -4.07 7.72 8.00 -1.26 -4.72 116.55 116.07 1vbx n ASP 79 Ca -0.18 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.16 1vbx n ASP 79 Cb 0.62 -1.85 -0.13 0.00 -0.02 0.00 0.00 41.12 39.75 1vbx n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vbx s LYS 80 N -0.89 0.65 -0.28 -1.24 1.02 -0.41 -5.08 119.74 113.50 1vbx s LYS 80 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 1vbx s LYS 80 Cb 0.00 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1vbx s LYS 80 CO 0.00 0.13 1.44 -2.14 -0.92 0.00 0.00 175.35 173.86 1vbx s PRO 81 N -1.13 3.83 0.29 -1.68 0.02 -1.26 -0.07 135.00 134.99 1vbx s PRO 81 Ca -0.03 1.38 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 1vbx s PRO 81 Cb -0.08 -3.96 -0.10 0.00 0.02 0.00 0.00 34.50 30.38 1vbx s PRO 81 CO 0.01 -1.24 1.42 1.41 -0.33 0.00 0.00 177.00 178.27 1vbx s MET 82 N 4.46 4.26 -0.18 5.54 1.75 0.19 -4.83 119.30 130.48 1vbx s MET 82 Ca 0.63 2.34 -0.00 0.00 -1.25 0.00 0.00 55.69 57.40 1vbx s MET 82 Cb -0.20 -3.07 0.01 0.00 2.84 0.00 0.00 34.83 34.41 1vbx s MET 82 CO 0.26 -0.39 -0.16 0.50 -0.65 0.00 0.00 175.02 174.59 1vbx s ARG 83 N -1.02 3.11 0.11 4.11 3.52 -0.92 -1.10 118.95 126.76 1vbx s ARG 83 Ca 0.56 -0.77 0.09 0.00 -0.13 0.00 0.00 55.73 55.48 1vbx s ARG 83 Cb -0.42 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1vbx s ARG 83 CO 0.49 -0.16 -0.21 0.42 -0.81 0.00 0.00 175.30 175.03 1vbx s ILE 84 N 1.24 2.66 0.35 4.11 1.01 -1.26 -1.23 121.20 128.08 1vbx s ILE 84 Ca 0.03 -1.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 1vbx s ILE 84 Cb -0.14 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1vbx s ILE 84 CO -0.08 0.14 0.58 -1.10 0.00 0.00 0.00 174.94 174.49 1vbx s GLN 85 N -1.98 2.01 0.22 2.79 -0.21 -0.10 -4.98 119.66 117.40 1vbx s GLN 85 Ca 0.16 -1.62 -0.09 0.00 0.02 0.00 0.00 55.36 53.83 1vbx s GLN 85 Cb -0.10 0.51 -0.07 0.00 1.00 0.00 0.00 33.01 34.34 1vbx s GLN 85 CO 0.08 -0.87 0.53 0.71 -2.12 0.00 0.00 175.29 173.62 1vbx s TYR 86 N -2.86 3.43 0.32 0.91 2.02 -1.26 0.88 117.35 120.80 1vbx s TYR 86 Ca 0.25 0.85 -0.28 0.00 -0.37 0.00 0.00 57.07 57.51 1vbx s TYR 86 Cb -0.02 -2.24 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1vbx s TYR 86 CO 0.17 0.28 1.16 0.00 -1.57 0.00 0.00 175.55 175.59 1vbx s ALA 87 N -1.80 3.36 0.24 3.71 0.00 -0.67 -4.46 121.76 122.13 1vbx s ALA 87 Ca 0.47 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 1vbx s ALA 87 Cb -0.11 -3.37 0.43 0.00 0.00 0.00 0.00 23.12 20.07 1vbx s ALA 87 CO 0.21 -0.35 1.74 0.87 0.00 0.00 0.00 175.76 178.23 1vbx h LYS 88 N 3.38 0.44 -5.10 0.00 1.57 -1.92 -3.45 116.57 111.49 1vbx h LYS 88 Ca -0.48 -0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 57.75 1vbx h LYS 88 Cb 1.22 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.30 1vbx h LYS 88 CO 0.65 0.29 -0.55 0.95 -0.57 0.00 0.00 179.45 180.22 1vbx s THR 89 N -6.03 0.83 0.29 -0.16 -4.23 -1.26 -4.92 115.64 100.16 1vbx s THR 89 Ca -0.12 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.11 1vbx s THR 89 Cb 0.20 -2.51 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 1vbx s THR 89 CO 0.76 0.00 0.96 -1.81 -0.54 0.00 0.00 174.62 173.99 1vbx s ASP 90 N -3.57 7.42 0.49 3.99 1.01 -1.26 -4.92 116.67 119.83 1vbx s ASP 90 Ca 0.28 1.91 -0.20 0.00 0.71 0.00 0.00 52.55 55.26 1vbx s ASP 90 Cb 0.05 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 1vbx s ASP 90 CO 0.14 -0.01 1.02 -0.44 0.21 0.00 0.00 175.17 176.09 1vbx s SER 91 N -1.42 6.39 0.37 0.27 0.01 -1.26 -4.85 113.70 113.22 1vbx s SER 91 Ca 0.47 1.85 0.08 0.00 1.31 0.00 0.00 55.95 59.66 1vbx s SER 91 Cb -0.22 -2.55 0.80 0.00 0.21 0.00 0.00 66.02 64.25 1vbx s SER 91 CO 0.28 -0.74 1.94 0.44 0.41 0.00 0.00 173.24 175.56 1vbx h ASP 92 N 1.45 0.63 -0.44 2.44 3.32 -1.99 0.54 116.42 122.36 1vbx h ASP 92 Ca -0.49 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.60 1vbx h ASP 92 Cb 1.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1vbx h ASP 92 CO 0.59 0.38 0.29 0.16 -1.72 0.00 0.00 179.24 178.94 1vbx h ILE 93 N 0.70 1.06 0.08 0.35 -2.65 -1.99 -0.39 117.51 114.66 1vbx h ILE 93 Ca 0.35 -0.17 -0.21 0.00 1.03 0.00 0.00 64.86 65.85 1vbx h ILE 93 Cb 0.42 0.51 0.02 0.00 -2.05 0.00 0.00 36.82 35.72 1vbx h ILE 93 CO -0.13 0.09 -0.88 0.40 0.03 0.00 0.00 178.15 177.67 1vbx h ILE 94 N 0.51 1.41 -0.45 0.16 1.08 -1.29 -3.31 117.51 115.62 1vbx h ILE 94 Ca 0.17 -2.34 0.04 0.00 -0.39 0.00 0.00 64.86 62.35 1vbx h ILE 94 Cb 0.07 2.81 -0.04 0.00 -3.07 0.00 0.00 36.82 36.59 1vbx h ILE 94 CO -0.04 0.69 0.20 0.00 -0.69 0.00 0.00 178.15 178.31 1vbx h ALA 95 N 0.24 0.55 0.00 1.87 0.00 -0.65 -0.09 119.26 121.18 1vbx h ALA 95 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vbx h ALA 95 Cb 1.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1vbx h ALA 95 CO 0.17 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1vbx n LYS 96 N -4.94 0.00 0.00 0.00 5.02 -0.22 -3.73 118.16 114.28 1vbx n LYS 96 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1vbx n LYS 96 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1vbx n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vbx n MET 97 N -0.84 0.00 0.00 1.97 2.81 -0.14 -5.10 117.12 115.82 1vbx n MET 97 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1vbx n MET 97 Cb 0.00 0.00 0.35 0.00 -0.71 0.00 0.00 33.22 32.86 1vbx n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11