#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vby n GLU 5 N 0.00 -2.18 -4.37 -0.52 0.00 -1.26 -5.02 120.64 107.28 1vby n GLU 5 Ca 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 57.16 56.27 1vby n GLU 5 Cb 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 31.44 29.65 1vby n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1vby s THR 6 N -2.19 2.73 0.34 3.84 2.01 -1.26 -5.13 115.64 115.98 1vby s THR 6 Ca 0.53 -1.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.45 1vby s THR 6 Cb -0.11 -2.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 1vby s THR 6 CO 0.57 -0.16 0.75 -0.13 -0.69 0.00 0.00 174.62 174.96 1vby s ARG 7 N -2.87 3.98 0.40 4.92 1.81 -1.26 -4.88 118.95 121.05 1vby s ARG 7 Ca 0.24 0.66 -0.23 0.00 -1.72 0.00 0.00 55.73 54.68 1vby s ARG 7 Cb -0.08 -2.41 -0.13 0.00 -0.45 0.00 0.00 34.95 31.88 1vby s ARG 7 CO 0.13 0.12 0.56 -2.30 -0.68 0.00 0.00 175.30 173.13 1vby n PRO 8 N -0.53 0.58 -3.70 3.54 -0.02 -1.26 -4.75 135.00 128.86 1vby n PRO 8 Ca 0.04 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1vby n PRO 8 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 1vby n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vby s ASN 9 N -0.93 -0.15 0.42 2.55 3.84 -1.26 -5.01 114.94 114.39 1vby s ASN 9 Ca 0.63 -0.30 0.12 0.00 0.21 0.00 0.00 52.86 53.52 1vby s ASN 9 Cb -0.62 0.42 0.89 0.00 -0.55 0.00 0.00 41.25 41.39 1vby s ASN 9 CO 0.58 -0.75 1.95 0.45 -2.79 0.00 0.00 177.10 176.54 1vby h HIS 10 N 2.71 0.12 -3.05 0.43 3.86 -1.89 -3.43 115.15 113.90 1vby h HIS 10 Ca -0.33 -0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.23 1vby h HIS 10 Cb 1.23 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 29.55 1vby h HIS 10 CO 0.38 0.27 -0.52 0.99 0.86 0.00 0.00 177.93 179.91 1vby s THR 11 N -4.67 5.15 -0.12 2.45 2.01 -1.26 -1.26 115.64 117.94 1vby s THR 11 Ca -0.05 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1vby s THR 11 Cb 0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1vby s THR 11 CO 0.71 0.53 0.01 0.27 -0.69 0.00 0.00 174.62 175.46 1vby s ILE 12 N -0.32 4.38 -0.20 1.82 -4.36 -0.04 -1.61 121.20 120.87 1vby s ILE 12 Ca 0.10 -0.21 -0.09 0.00 -0.26 0.00 0.00 60.65 60.20 1vby s ILE 12 Cb -0.12 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 1vby s ILE 12 CO 0.01 0.56 0.10 -0.47 0.24 0.00 0.00 174.94 175.38 1vby s TYR 13 N -0.39 3.31 -0.03 1.37 6.14 0.25 -0.70 117.35 127.30 1vby s TYR 13 Ca 0.08 0.16 0.06 0.00 0.64 0.00 0.00 57.07 58.01 1vby s TYR 13 Cb -0.12 -2.14 -0.01 0.00 0.42 0.00 0.00 41.96 40.11 1vby s TYR 13 CO 0.02 0.17 -0.23 0.42 0.64 0.00 0.00 175.55 176.57 1vby s ILE 14 N 0.50 1.82 0.15 3.14 1.01 0.12 -0.81 121.20 127.13 1vby s ILE 14 Ca 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1vby s ILE 14 Cb -0.12 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1vby s ILE 14 CO 0.00 0.51 0.13 -0.46 0.00 0.00 0.00 174.94 175.12 1vby n ASN 15 N 2.76 -0.33 -1.16 3.58 6.94 -0.54 0.11 115.26 126.63 1vby n ASN 15 Ca -0.17 -1.96 -0.12 0.00 -0.02 0.00 0.00 54.58 52.31 1vby n ASN 15 Cb 0.52 0.76 -0.03 0.00 -2.36 0.00 0.00 39.78 38.68 1vby n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1vby n ASN 16 N -2.39 -4.09 -4.82 0.53 4.05 -0.27 -2.62 115.26 105.65 1vby n ASN 16 Ca 0.03 0.13 -0.35 0.00 0.45 0.00 0.00 54.58 54.84 1vby n ASN 16 Cb 0.27 -3.00 -0.06 0.00 1.23 0.00 0.00 39.78 38.21 1vby n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1vby s LEU 17 N -3.10 4.16 -0.02 1.20 1.43 -0.67 -4.67 118.68 117.01 1vby s LEU 17 Ca 0.00 1.56 -0.33 0.00 -1.03 0.00 0.00 54.13 54.33 1vby s LEU 17 Cb 0.00 -4.09 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 1vby s LEU 17 CO 0.00 -0.16 1.84 -3.20 0.23 0.00 0.00 176.35 175.06 1vby n ASN 18 N 0.02 3.51 0.03 2.29 2.85 -1.26 -4.35 115.26 118.35 1vby n ASN 18 Ca 0.03 0.98 0.13 0.00 -0.11 0.00 0.00 54.58 55.61 1vby n ASN 18 Cb 0.52 -1.41 0.54 0.00 1.24 0.00 0.00 39.78 40.67 1vby n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1vby n GLU 19 N 6.13 0.06 -0.06 1.20 1.02 -1.26 -3.37 120.64 124.37 1vby n GLU 19 Ca 0.21 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.50 1vby n GLU 19 Cb 0.31 -1.58 0.28 0.00 -0.02 0.00 0.00 31.44 30.44 1vby n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vby n LYS 20 N -1.68 1.35 -3.53 3.49 5.02 -1.26 -4.82 118.16 116.73 1vby n LYS 20 Ca 0.06 -0.54 -0.37 0.00 -2.02 0.00 0.00 58.31 55.44 1vby n LYS 20 Cb 0.34 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1vby n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vby s ILE 21 N -1.85 5.29 0.48 -0.18 -1.09 -1.22 -5.04 121.20 117.59 1vby s ILE 21 Ca 0.21 0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 58.86 1vby s ILE 21 Cb 0.11 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1vby s ILE 21 CO 0.16 0.33 1.22 0.29 -1.23 0.00 0.00 174.94 175.71 1vby n LYS 22 N 4.14 1.67 -0.25 2.79 5.02 -1.26 -4.74 118.16 125.53 1vby n LYS 22 Ca -0.12 0.60 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1vby n LYS 22 Cb 0.52 -2.37 0.17 0.00 -0.02 0.00 0.00 35.03 33.32 1vby n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1vby h LYS 23 N 1.64 0.19 -0.61 1.97 3.64 -1.96 -1.48 116.57 119.95 1vby h LYS 23 Ca -0.48 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1vby h LYS 23 Cb 1.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1vby h LYS 23 CO 0.58 0.12 0.32 0.22 -2.27 0.00 0.00 179.45 178.42 1vby h ASP 24 N 0.19 0.78 0.03 4.20 3.58 -1.99 -2.42 116.42 120.80 1vby h ASP 24 Ca 0.41 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1vby h ASP 24 Cb 0.71 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1vby h ASP 24 CO -0.57 0.67 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.37 1vby h GLU 25 N 0.83 -0.04 -0.69 0.28 4.81 -1.80 -2.58 114.58 115.39 1vby h GLU 25 Ca 0.21 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.60 1vby h GLU 25 Cb 0.08 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 1vby h GLU 25 CO -0.03 0.39 0.05 1.25 -0.73 0.00 0.00 179.01 179.94 1vby h LEU 26 N -0.48 -0.21 -0.51 1.64 5.85 -1.18 0.46 115.31 120.88 1vby h LEU 26 Ca -0.00 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1vby h LEU 26 Cb 0.45 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1vby h LEU 26 CO 0.01 -0.11 0.17 0.11 -0.34 0.00 0.00 178.44 178.28 1vby h LYS 27 N 0.16 0.78 0.42 1.25 1.57 -1.44 -0.74 116.57 118.57 1vby h LYS 27 Ca 0.37 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1vby h LYS 27 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1vby h LYS 27 CO -0.56 0.72 -0.36 0.87 -0.57 0.00 0.00 179.45 179.55 1vby h LYS 28 N 0.69 -0.75 -0.73 3.15 1.79 -0.29 -0.92 116.57 119.50 1vby h LYS 28 Ca 0.17 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1vby h LYS 28 Cb 0.25 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1vby h LYS 28 CO -0.01 -0.50 0.49 0.77 -1.08 0.00 0.00 179.45 179.12 1vby h SER 29 N -0.78 0.84 -0.46 0.86 0.02 -0.19 -1.28 113.55 112.57 1vby h SER 29 Ca -0.04 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1vby h SER 29 Cb 0.68 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1vby h SER 29 CO -0.02 0.61 0.02 -0.07 -1.14 0.00 0.00 176.83 176.23 1vby h LEU 30 N 0.99 0.77 -1.18 5.07 3.38 -0.89 -1.90 115.31 121.56 1vby h LEU 30 Ca 0.27 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1vby h LEU 30 Cb -0.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1vby h LEU 30 CO -0.06 0.88 0.42 -0.74 0.09 0.00 0.00 178.44 179.03 1vby h HIS 31 N 0.64 0.96 -0.67 1.13 2.76 -0.50 -1.15 115.15 118.32 1vby h HIS 31 Ca 0.13 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1vby h HIS 31 Cb 0.47 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 1vby h HIS 31 CO 0.04 0.65 0.35 0.00 -1.30 0.00 0.00 177.93 177.66 1vby h ALA 32 N 1.46 0.90 -0.00 5.26 0.00 -0.44 -1.68 119.26 124.75 1vby h ALA 32 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1vby h ALA 32 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1vby h ALA 32 CO -0.05 -0.01 -0.56 0.44 0.00 0.00 0.00 179.25 179.07 1vby n ILE 33 N -4.84 0.00 0.22 0.00 -5.35 -0.97 -4.41 119.36 104.01 1vby n ILE 33 Ca 0.09 -0.07 0.06 0.00 -0.27 0.00 0.00 62.75 62.55 1vby n ILE 33 Cb 0.21 0.65 -0.08 0.00 -1.74 0.00 0.00 39.64 38.68 1vby n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vby n PHE 34 N -1.04 0.00 0.32 4.28 3.72 -0.47 -4.62 117.46 119.65 1vby n PHE 34 Ca 0.07 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.69 1vby n PHE 34 Cb 0.36 -0.16 1.15 0.00 -0.94 0.00 0.00 39.48 39.89 1vby n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1vby h SER 35 N 0.00 0.00 1.13 4.37 4.64 -1.52 -2.38 113.55 119.79 1vby h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vby h SER 35 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1vby h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1vby n ARG 36 N -3.01 0.23 0.00 4.77 1.85 -1.26 -3.10 116.66 116.13 1vby n ARG 36 Ca -0.03 0.30 0.13 0.00 -1.00 0.00 0.00 57.85 57.26 1vby n ARG 36 Cb 0.08 -1.83 0.47 0.00 -1.05 0.00 0.00 32.46 30.13 1vby n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1vby n PHE 37 N -2.23 0.00 0.00 2.89 3.72 -0.90 -5.02 117.46 115.92 1vby n PHE 37 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1vby n PHE 37 Cb 0.34 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1vby n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vby n GLY 38 N 1.36 2.36 3.73 1.37 0.00 -1.18 -4.23 105.19 108.60 1vby n GLY 38 Ca 0.11 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1vby n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vby s GLN 39 N -1.80 4.17 -0.19 1.61 0.74 -1.26 -4.67 119.66 118.25 1vby s GLN 39 Ca 0.00 2.48 -0.06 0.00 0.05 0.00 0.00 55.36 57.83 1vby s GLN 39 Cb 0.00 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 1vby s GLN 39 CO 0.00 -0.63 0.04 0.42 -0.55 0.00 0.00 175.29 174.57 1vby s ILE 40 N 0.68 4.39 0.07 -2.34 1.01 -1.26 -1.27 121.20 122.48 1vby s ILE 40 Ca 0.68 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 61.25 1vby s ILE 40 Cb -0.46 -2.99 -0.20 0.00 0.01 0.00 0.00 42.46 38.82 1vby s ILE 40 CO 0.38 0.44 1.14 -0.07 0.00 0.00 0.00 174.94 176.83 1vby h LEU 41 N 7.13 0.00 -7.05 2.97 3.38 -0.66 -3.47 115.31 117.61 1vby h LEU 41 Ca -0.36 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.96 1vby h LEU 41 Cb 1.18 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 1vby h LEU 41 CO 0.65 0.97 0.94 -0.62 0.09 0.00 0.00 178.44 180.46 1vby s ASP 42 N -6.55 -0.03 -0.04 -0.43 2.15 -1.21 -5.03 116.67 105.53 1vby s ASP 42 Ca -0.00 -0.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.94 1vby s ASP 42 Cb 0.09 0.06 0.03 0.00 -0.30 0.00 0.00 42.92 42.80 1vby s ASP 42 CO 0.82 -0.10 0.04 -0.63 -0.17 0.00 0.00 175.17 175.13 1vby s ILE 43 N -2.15 0.00 -0.19 4.11 1.01 -1.26 -1.27 121.20 121.45 1vby s ILE 43 Ca 0.13 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.03 1vby s ILE 43 Cb 0.04 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 1vby s ILE 43 CO -0.05 0.17 0.02 -0.76 0.00 0.00 0.00 174.94 174.32 1vby s LEU 44 N 1.78 3.43 0.00 2.97 1.02 -0.94 -4.97 118.68 121.98 1vby s LEU 44 Ca 0.00 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1vby s LEU 44 Cb -0.12 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 1vby s LEU 44 CO -0.03 0.11 -0.05 -0.69 0.02 0.00 0.00 176.35 175.71 1vby s VAL 45 N 0.71 0.40 -0.06 -1.59 1.01 -1.26 -1.84 120.40 117.76 1vby s VAL 45 Ca 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1vby s VAL 45 Cb -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1vby s VAL 45 CO 0.02 0.04 0.13 -0.55 0.00 0.00 0.00 175.10 174.74 1vby s SER 46 N -0.31 -0.10 -0.07 3.32 0.15 -1.26 -5.03 113.70 110.40 1vby s SER 46 Ca 0.00 0.27 0.15 0.00 0.70 0.00 0.00 55.95 57.07 1vby s SER 46 Cb -0.03 0.19 0.56 0.00 -1.71 0.00 0.00 66.02 65.03 1vby s SER 46 CO -0.00 -0.12 1.44 0.54 1.20 0.00 0.00 173.24 176.30 1vby n ARG 47 N 3.85 2.98 -1.01 5.44 5.12 -1.26 -2.91 116.66 128.86 1vby n ARG 47 Ca -0.22 -2.21 -0.31 0.00 -1.93 0.00 0.00 57.85 53.18 1vby n ARG 47 Cb 0.54 -1.69 0.13 0.00 -1.16 0.00 0.00 32.46 30.27 1vby n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1vby s SER 48 N -0.85 3.75 0.31 0.55 1.04 -1.26 -4.57 113.70 112.68 1vby s SER 48 Ca 0.40 2.03 0.08 0.00 0.48 0.00 0.00 55.95 58.94 1vby s SER 48 Cb 0.25 -2.55 0.87 0.00 0.10 0.00 0.00 66.02 64.69 1vby s SER 48 CO 0.21 -2.55 1.69 0.25 0.98 0.00 0.00 173.24 173.83 1vby h LEU 49 N -1.41 0.46 0.00 2.42 5.85 -1.98 -0.74 115.31 119.91 1vby h LEU 49 Ca -0.44 0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.25 1vby h LEU 49 Cb 1.25 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1vby h LEU 49 CO 0.47 -0.02 -1.07 0.50 -0.34 0.00 0.00 178.44 177.98 1vby h LYS 50 N 0.42 0.00 -0.24 1.25 3.64 -1.95 -3.37 116.57 116.31 1vby h LYS 50 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 1vby h LYS 50 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1vby h LYS 50 CO -0.54 0.70 0.00 -1.33 -2.27 0.00 0.00 179.45 176.01 1vby n MET 51 N -3.21 1.97 -1.48 1.90 2.81 -0.65 -5.02 117.12 113.45 1vby n MET 51 Ca -0.04 -1.79 -0.32 0.00 -1.81 0.00 0.00 57.70 53.73 1vby n MET 51 Cb 0.90 -1.30 0.07 0.00 -0.71 0.00 0.00 33.22 32.18 1vby n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vby s ARG 52 N -1.07 2.44 -1.36 0.03 1.70 -0.38 -3.28 118.95 117.03 1vby s ARG 52 Ca 0.23 1.33 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 1vby s ARG 52 Cb 0.13 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 1vby s ARG 52 CO 0.19 -1.52 0.00 0.41 -1.08 0.00 0.00 175.30 173.29 1vby n GLY 53 N -0.71 1.35 3.18 3.88 0.00 -1.26 -4.92 105.19 106.71 1vby n GLY 53 Ca 0.10 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1vby n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vby s GLN 54 N -3.02 0.92 0.07 1.61 -0.21 -1.21 -1.12 119.66 116.70 1vby s GLN 54 Ca 0.00 -1.32 -0.26 0.00 0.02 0.00 0.00 55.36 53.80 1vby s GLN 54 Cb 0.00 0.27 0.08 0.00 1.00 0.00 0.00 33.01 34.36 1vby s GLN 54 CO 0.00 -0.27 0.67 0.00 -2.12 0.00 0.00 175.29 173.57 1vby s ALA 55 N -4.00 -1.69 -0.33 6.09 0.00 0.12 -4.54 121.76 117.42 1vby s ALA 55 Ca 0.19 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1vby s ALA 55 Cb 0.07 0.51 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1vby s ALA 55 CO -0.01 -0.63 0.03 -0.06 0.00 0.00 0.00 175.76 175.09 1vby s PHE 56 N -2.84 3.53 -0.25 0.00 0.40 -0.77 0.14 117.98 118.19 1vby s PHE 56 Ca -0.02 -2.81 -0.22 0.00 -0.60 0.00 0.00 56.93 53.28 1vby s PHE 56 Cb -0.01 -2.70 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 1vby s PHE 56 CO -0.05 -0.93 0.70 0.08 0.70 0.00 0.00 175.22 175.71 1vby s VAL 57 N 0.99 4.93 -0.53 -0.44 1.01 0.13 -2.21 120.40 124.27 1vby s VAL 57 Ca 0.08 1.28 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1vby s VAL 57 Cb -0.19 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.29 1vby s VAL 57 CO -0.09 -0.01 0.55 -0.63 0.00 0.00 0.00 175.10 174.92 1vby s ILE 58 N 2.62 5.07 0.25 2.22 1.01 -0.40 -0.86 121.20 131.12 1vby s ILE 58 Ca 0.29 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 1vby s ILE 58 Cb -0.15 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 1vby s ILE 58 CO 0.08 -0.87 0.79 -0.36 0.00 0.00 0.00 174.94 174.58 1vby s PHE 59 N 2.03 3.66 0.19 3.97 0.08 -0.39 0.09 117.98 127.62 1vby s PHE 59 Ca 0.07 1.51 -0.07 0.00 0.12 0.00 0.00 56.93 58.55 1vby s PHE 59 Cb -0.26 -2.71 0.11 0.00 -0.57 0.00 0.00 43.02 39.59 1vby s PHE 59 CO 0.06 0.30 1.63 -0.22 -0.10 0.00 0.00 175.22 176.89 1vby h LYS 60 N 3.34 0.97 -5.33 0.44 3.64 -1.46 -3.43 116.57 114.73 1vby h LYS 60 Ca -0.48 -0.34 -0.67 0.00 -1.27 0.00 0.00 60.65 57.89 1vby h LYS 60 Cb 1.19 -0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 32.63 1vby h LYS 60 CO 0.65 1.01 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.78 1vby s GLU 61 N -4.85 3.13 0.41 1.90 2.02 -1.26 -5.02 118.70 115.03 1vby s GLU 61 Ca -0.11 -0.83 0.21 0.00 0.02 0.00 0.00 54.97 54.26 1vby s GLU 61 Cb 0.13 -2.38 1.17 0.00 0.10 0.00 0.00 34.13 33.15 1vby s GLU 61 CO 0.85 0.19 1.76 0.28 0.02 0.00 0.00 175.26 178.35 1vby h VAL 62 N 5.64 0.47 -0.79 2.63 2.07 -1.85 0.42 116.25 124.83 1vby h VAL 62 Ca -0.21 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1vby h VAL 62 Cb 1.23 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1vby h VAL 62 CO 0.49 0.06 0.47 0.77 0.02 0.00 0.00 177.57 179.39 1vby h SER 63 N 0.33 0.73 -0.04 0.57 4.64 -1.95 0.04 113.55 117.87 1vby h SER 63 Ca 0.62 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1vby h SER 63 Cb 1.67 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1vby h SER 63 CO -0.30 0.46 0.01 0.28 -0.87 0.00 0.00 176.83 176.42 1vby h SER 64 N 0.86 0.01 -0.52 4.97 0.02 -1.09 -0.59 113.55 117.21 1vby h SER 64 Ca 0.35 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.39 1vby h SER 64 Cb 0.18 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.66 1vby h SER 64 CO -0.18 0.01 0.13 0.00 -1.14 0.00 0.00 176.83 175.66 1vby h ALA 65 N 1.03 0.61 -0.74 3.77 0.00 -1.18 0.47 119.26 123.23 1vby h ALA 65 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vby h ALA 65 Cb 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1vby h ALA 65 CO -0.02 -0.28 0.48 1.15 0.00 0.00 0.00 179.25 180.58 1vby h THR 66 N 0.28 1.18 0.13 0.00 2.02 -0.61 -0.47 112.91 115.44 1vby h THR 66 Ca 0.26 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1vby h THR 66 Cb 0.35 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1vby h THR 66 CO -0.32 0.18 -0.06 0.78 0.37 0.00 0.00 175.52 176.46 1vby h ASN 67 N 0.98 -0.15 -0.48 4.18 4.21 -0.07 -1.08 115.58 123.17 1vby h ASN 67 Ca 0.27 -0.11 0.09 0.00 1.21 0.00 0.00 56.30 57.76 1vby h ASN 67 Cb -0.10 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 1vby h ASN 67 CO -0.07 0.02 0.33 0.00 -1.29 0.00 0.00 177.43 176.42 1vby h ALA 68 N 0.54 2.11 -0.02 -0.83 0.00 -0.75 0.18 119.26 120.49 1vby h ALA 68 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1vby h ALA 68 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vby h ALA 68 CO 0.03 -0.22 -0.13 1.25 0.00 0.00 0.00 179.25 180.18 1vby h LEU 69 N 0.26 0.14 -0.15 0.00 5.85 -0.73 -2.66 115.31 118.03 1vby h LEU 69 Ca 0.22 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1vby h LEU 69 Cb 0.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1vby h LEU 69 CO -0.04 0.81 0.01 0.03 -0.34 0.00 0.00 178.44 178.90 1vby h ARG 70 N -0.52 0.26 -0.21 1.25 3.08 -0.72 -3.05 114.38 114.48 1vby h ARG 70 Ca -0.01 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1vby h ARG 70 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1vby h ARG 70 CO 0.03 0.48 -0.42 0.77 -1.07 0.00 0.00 179.97 179.75 1vby h SER 71 N 0.01 0.72 0.33 7.04 0.02 -1.10 -3.33 113.55 117.24 1vby h SER 71 Ca 0.04 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1vby h SER 71 Cb 0.35 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1vby h SER 71 CO 0.01 1.14 -0.31 0.23 -1.14 0.00 0.00 176.83 176.76 1vby n MET 72 N -4.22 0.59 -1.65 3.45 2.81 -1.00 -4.85 117.12 112.25 1vby n MET 72 Ca -0.06 -0.34 -0.44 0.00 -1.81 0.00 0.00 57.70 55.05 1vby n MET 72 Cb 0.55 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 1vby n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1vby n GLN 73 N -0.91 1.83 0.00 0.03 -0.06 -1.15 -0.60 117.38 116.52 1vby n GLN 73 Ca 0.10 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.75 1vby n GLN 73 Cb 0.34 -2.19 0.00 0.00 -4.06 0.00 0.00 30.24 24.33 1vby n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vby n GLY 74 N 1.45 2.41 3.68 1.69 0.00 0.03 -4.96 105.19 109.49 1vby n GLY 74 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.61 1vby n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vby n PHE 75 N -1.93 2.21 -1.87 1.61 7.35 0.23 -4.10 117.46 120.96 1vby n PHE 75 Ca 0.00 0.19 -0.42 0.00 -0.76 0.00 0.00 57.45 56.46 1vby n PHE 75 Cb 0.00 -2.58 -0.03 0.00 0.35 0.00 0.00 39.48 37.22 1vby n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1vby s PRO 76 N 3.33 4.18 -0.05 -7.13 0.02 -1.26 -1.78 135.00 132.31 1vby s PRO 76 Ca 0.92 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 64.30 1vby s PRO 76 Cb -0.79 -3.70 0.04 0.00 0.02 0.00 0.00 34.50 30.06 1vby s PRO 76 CO 0.53 -0.79 0.09 0.12 -0.33 0.00 0.00 177.00 176.62 1vby s PHE 77 N 3.00 -0.03 -1.45 6.54 5.36 0.21 -4.81 117.98 126.80 1vby s PHE 77 Ca 0.76 0.35 -0.09 0.00 -0.96 0.00 0.00 56.93 57.00 1vby s PHE 77 Cb -0.40 -0.33 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1vby s PHE 77 CO 0.34 -0.19 0.87 0.66 -1.46 0.00 0.00 175.22 175.44 1vby n TYR 78 N 4.97 -2.16 -0.96 10.12 4.01 -1.26 -1.24 117.16 130.64 1vby n TYR 78 Ca -0.11 0.88 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 1vby n TYR 78 Cb 0.50 -4.13 0.00 0.00 -0.31 0.00 0.00 39.34 35.40 1vby n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1vby n ASP 79 N -2.92 -2.92 -4.02 7.72 8.00 -1.26 -4.72 116.55 116.43 1vby n ASP 79 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1vby n ASP 79 Cb 0.58 -1.28 -0.12 0.00 -0.02 0.00 0.00 41.12 40.29 1vby n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vby s LYS 80 N -0.55 0.42 -0.28 -1.24 1.02 -0.38 -5.09 119.74 113.65 1vby s LYS 80 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1vby s LYS 80 Cb 0.00 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.18 1vby s LYS 80 CO 0.00 0.01 1.16 -2.14 -0.92 0.00 0.00 175.35 173.46 1vby s PRO 81 N -1.39 4.08 0.15 -1.68 0.02 -1.26 0.65 135.00 135.57 1vby s PRO 81 Ca -0.11 1.24 -0.31 0.00 0.02 0.00 0.00 61.00 61.84 1vby s PRO 81 Cb -0.09 -3.77 -0.10 0.00 0.02 0.00 0.00 34.50 30.56 1vby s PRO 81 CO -0.00 -0.90 1.58 1.41 -0.33 0.00 0.00 177.00 178.76 1vby s MET 82 N 3.71 4.21 -0.32 5.54 1.75 -0.73 -4.86 119.30 128.60 1vby s MET 82 Ca 0.49 2.35 -0.04 0.00 -1.25 0.00 0.00 55.69 57.25 1vby s MET 82 Cb -0.15 -3.21 0.05 0.00 2.84 0.00 0.00 34.83 34.36 1vby s MET 82 CO 0.16 -0.62 0.06 0.50 -0.65 0.00 0.00 175.02 174.47 1vby s ARG 83 N 1.31 2.51 -0.00 4.11 3.52 -1.08 -0.79 118.95 128.53 1vby s ARG 83 Ca 0.70 -1.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1vby s ARG 83 Cb -0.43 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 1vby s ARG 83 CO 0.31 -0.66 0.07 0.42 -0.81 0.00 0.00 175.30 174.63 1vby s ILE 84 N 1.32 4.62 0.30 4.11 1.01 -1.26 -1.46 121.20 129.84 1vby s ILE 84 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1vby s ILE 84 Cb -0.20 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1vby s ILE 84 CO 0.01 0.36 0.36 -1.10 0.00 0.00 0.00 174.94 174.56 1vby s GLN 85 N -1.69 1.71 0.13 2.79 -0.21 0.01 -5.00 119.66 117.39 1vby s GLN 85 Ca 0.22 -1.76 -0.09 0.00 0.02 0.00 0.00 55.36 53.75 1vby s GLN 85 Cb -0.12 0.38 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 1vby s GLN 85 CO 0.13 -0.67 0.44 0.71 -2.12 0.00 0.00 175.29 173.78 1vby s TYR 86 N -3.46 3.54 0.04 0.91 2.02 -1.26 -0.58 117.35 118.56 1vby s TYR 86 Ca 0.34 0.79 -0.31 0.00 -0.37 0.00 0.00 57.07 57.52 1vby s TYR 86 Cb 0.02 -2.17 -0.06 0.00 -0.40 0.00 0.00 41.96 39.34 1vby s TYR 86 CO 0.20 0.45 1.35 0.00 -1.57 0.00 0.00 175.55 175.97 1vby s ALA 87 N -1.53 3.54 0.33 3.71 0.00 -0.64 -4.61 121.76 122.56 1vby s ALA 87 Ca 0.38 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.38 1vby s ALA 87 Cb -0.13 -3.54 0.98 0.00 0.00 0.00 0.00 23.12 20.43 1vby s ALA 87 CO 0.20 -0.72 1.64 0.87 0.00 0.00 0.00 175.76 177.75 1vby h LYS 88 N 7.29 0.21 -5.05 0.00 1.57 -1.91 -3.43 116.57 115.24 1vby h LYS 88 Ca -0.40 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 57.99 1vby h LYS 88 Cb 1.19 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 1vby h LYS 88 CO 0.87 0.14 -0.65 0.95 -0.57 0.00 0.00 179.45 180.19 1vby s THR 89 N -5.75 0.96 0.41 -0.16 -4.23 -1.26 -4.92 115.64 100.69 1vby s THR 89 Ca -0.11 -2.02 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1vby s THR 89 Cb 0.29 -2.41 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 1vby s THR 89 CO 0.78 -0.26 1.11 -1.81 -0.54 0.00 0.00 174.62 173.91 1vby s ASP 90 N -3.31 6.53 0.27 3.99 1.11 -1.26 -4.94 116.67 119.06 1vby s ASP 90 Ca 0.30 2.20 -0.23 0.00 0.18 0.00 0.00 52.55 54.99 1vby s ASP 90 Cb 0.06 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.36 1vby s ASP 90 CO 0.10 -0.66 0.84 -0.44 1.18 0.00 0.00 175.17 176.19 1vby s SER 91 N -1.39 7.22 0.27 0.27 0.01 -1.26 -4.85 113.70 113.97 1vby s SER 91 Ca 0.59 1.65 -0.02 0.00 1.31 0.00 0.00 55.95 59.48 1vby s SER 91 Cb -0.26 -2.51 0.59 0.00 0.21 0.00 0.00 66.02 64.05 1vby s SER 91 CO 0.33 -0.01 1.62 0.44 0.41 0.00 0.00 173.24 176.02 1vby h ASP 92 N 3.32 -0.28 -1.06 2.44 3.32 -1.99 0.39 116.42 122.57 1vby h ASP 92 Ca -0.47 0.22 0.28 0.00 0.02 0.00 0.00 57.03 57.07 1vby h ASP 92 Cb 1.19 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 41.00 1vby h ASP 92 CO 0.65 -0.21 0.68 0.16 -1.72 0.00 0.00 179.24 178.80 1vby h ILE 93 N 0.11 0.50 0.19 0.35 -2.65 -1.97 0.27 117.51 114.31 1vby h ILE 93 Ca 0.50 -0.13 -0.28 0.00 1.03 0.00 0.00 64.86 65.98 1vby h ILE 93 Cb 0.95 0.10 0.02 0.00 -2.05 0.00 0.00 36.82 35.85 1vby h ILE 93 CO -0.72 0.07 -1.29 0.40 0.03 0.00 0.00 178.15 176.63 1vby h ILE 94 N 0.37 1.28 -0.41 0.16 1.08 -0.63 -3.33 117.51 116.03 1vby h ILE 94 Ca 0.61 -2.59 0.09 0.00 -0.39 0.00 0.00 64.86 62.57 1vby h ILE 94 Cb 1.58 3.03 -0.09 0.00 -3.07 0.00 0.00 36.82 38.27 1vby h ILE 94 CO -0.30 0.77 -0.17 0.00 -0.69 0.00 0.00 178.15 177.76 1vby h ALA 95 N 0.10 0.15 0.00 1.87 0.00 -0.13 -1.30 119.26 119.94 1vby h ALA 95 Ca -0.24 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vby h ALA 95 Cb 1.94 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1vby h ALA 95 CO 0.20 -0.53 0.00 1.63 0.00 0.00 0.00 179.25 180.55 1vby n LYS 96 N -5.36 0.00 0.00 0.00 5.02 -0.13 -3.76 118.16 113.93 1vby n LYS 96 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1vby n LYS 96 Cb 0.27 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1vby n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vby n MET 97 N 0.78 0.00 0.00 1.97 2.81 -0.55 -5.07 117.12 117.05 1vby n MET 97 Ca 0.00 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.05 1vby n MET 97 Cb 0.00 0.00 0.85 0.00 -0.71 0.00 0.00 33.22 33.36 1vby n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11