#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlg s ASP 16 N 0.00 7.32 -0.11 1.09 1.01 -1.26 -4.71 116.67 120.01 2vlg s ASP 16 Ca 0.00 2.22 -0.15 0.00 0.71 0.00 0.00 52.55 55.33 2vlg s ASP 16 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2vlg s ASP 16 CO 0.00 -0.11 0.37 -0.63 0.21 0.00 0.00 175.17 175.01 2vlg s ILE 17 N -1.10 5.22 -0.08 0.77 1.01 0.11 -4.89 121.20 122.23 2vlg s ILE 17 Ca 0.44 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.80 2vlg s ILE 17 Cb -0.31 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2vlg s ILE 17 CO 0.39 0.43 -0.03 -1.00 0.00 0.00 0.00 174.94 174.73 2vlg s HIS 18 N 0.08 3.07 0.03 3.97 3.76 -1.26 -0.92 115.29 124.01 2vlg s HIS 18 Ca 0.21 0.10 -0.06 0.00 -0.15 0.00 0.00 55.06 55.15 2vlg s HIS 18 Cb -0.14 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 2vlg s HIS 18 CO 0.08 0.38 0.11 0.00 -0.85 0.00 0.00 174.74 174.47 2vlg s ALA 19 N -0.76 -0.16 -0.06 -1.40 0.00 -0.66 -0.36 121.76 118.36 2vlg s ALA 19 Ca 0.12 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2vlg s ALA 19 Cb -0.11 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2vlg s ALA 19 CO 0.02 -0.29 -0.14 0.08 0.00 0.00 0.00 175.76 175.43 2vlg s VAL 20 N -2.23 1.25 0.05 0.00 1.01 0.23 -1.13 120.40 119.57 2vlg s VAL 20 Ca -0.08 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2vlg s VAL 20 Cb -0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2vlg s VAL 20 CO -0.03 0.37 -0.24 -0.76 0.00 0.00 0.00 175.10 174.44 2vlg s LEU 21 N 0.38 2.17 0.92 3.92 1.43 0.05 -0.54 118.68 127.01 2vlg s LEU 21 Ca -0.10 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 2vlg s LEU 21 Cb -0.14 -1.17 0.14 0.00 0.03 0.00 0.00 46.19 45.06 2vlg s LEU 21 CO 0.03 0.22 1.16 0.00 0.23 0.00 0.00 176.35 177.99 2vlg s ALA 22 N -0.81 1.85 0.06 4.21 0.00 0.83 -0.56 121.76 127.33 2vlg s ALA 22 Ca 0.10 -0.62 0.33 0.00 0.00 0.00 0.00 51.96 51.77 2vlg s ALA 22 Cb -0.10 -2.99 1.43 0.00 0.00 0.00 0.00 23.12 21.46 2vlg s ALA 22 CO 0.02 -2.30 1.98 0.66 0.00 0.00 0.00 175.76 176.12 2vlg h SER 23 N -1.52 0.00 -0.13 0.00 4.64 -1.89 -1.51 113.55 113.14 2vlg h SER 23 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2vlg h SER 23 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2vlg h SER 23 CO 0.59 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 2vlg n ASN 24 N -2.92 1.74 0.00 4.97 6.94 -1.26 -4.94 115.26 119.79 2vlg n ASN 24 Ca 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 2vlg n ASN 24 Cb 0.26 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 2vlg n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2vlg n GLY 25 N 1.17 0.38 3.73 4.83 0.00 -0.57 -4.96 105.19 109.77 2vlg n GLY 25 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2vlg n GLY 25 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vlg s ARG 26 N -0.93 4.20 -0.45 1.61 3.52 -1.26 -0.60 118.95 125.03 2vlg s ARG 26 Ca 0.00 2.42 -0.28 0.00 -0.13 0.00 0.00 55.73 57.74 2vlg s ARG 26 Cb 0.00 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.32 2vlg s ARG 26 CO 0.00 -0.56 1.07 0.42 -0.81 0.00 0.00 175.30 175.42 2vlg s ILE 27 N 0.48 4.32 0.03 4.11 1.01 0.36 -0.12 121.20 131.39 2vlg s ILE 27 Ca 0.65 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 62.35 2vlg s ILE 27 Cb -0.45 -4.53 -0.33 0.00 0.01 0.00 0.00 42.46 37.16 2vlg s ILE 27 CO 0.39 -0.89 0.97 0.40 0.00 0.00 0.00 174.94 175.81 2vlg h ILE 28 N 6.13 1.27 -2.31 2.92 2.04 -1.14 0.24 117.51 126.66 2vlg h ILE 28 Ca -0.23 -2.76 -0.08 0.00 1.00 0.00 0.00 64.86 62.79 2vlg h ILE 28 Cb 1.06 2.96 -0.20 0.00 -0.74 0.00 0.00 36.82 39.91 2vlg h ILE 28 CO 1.09 0.84 0.04 -0.47 0.00 0.00 0.00 178.15 179.65 2vlg s TYR 29 N -2.61 -0.53 -0.08 1.37 5.04 -1.01 -4.78 117.35 114.75 2vlg s TYR 29 Ca -0.09 0.95 -0.11 0.00 -2.44 0.00 0.00 57.07 55.38 2vlg s TYR 29 Cb 0.05 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.69 2vlg s TYR 29 CO 0.91 -0.52 0.28 -1.50 -1.34 0.00 0.00 175.55 173.39 2vlg s ILE 30 N -1.06 0.02 0.94 3.14 2.07 -1.26 -0.60 121.20 124.45 2vlg s ILE 30 Ca -0.11 -0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 2vlg s ILE 30 Cb -0.02 -0.47 0.15 0.00 0.13 0.00 0.00 42.46 42.26 2vlg s ILE 30 CO 0.07 -0.10 1.11 -0.94 -1.91 0.00 0.00 174.94 173.17 2vlg s SER 31 N -0.35 3.20 0.34 4.50 1.04 0.52 -4.85 113.70 118.09 2vlg s SER 31 Ca -0.05 1.16 0.27 0.00 0.48 0.00 0.00 55.95 57.81 2vlg s SER 31 Cb -0.03 -1.81 1.03 0.00 0.10 0.00 0.00 66.02 65.31 2vlg s SER 31 CO 0.01 -2.77 1.79 0.00 0.98 0.00 0.00 173.24 173.25 2vlg h ALA 32 N -1.64 1.00 0.00 5.32 0.00 -1.98 -2.37 119.26 119.58 2vlg h ALA 32 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2vlg h ALA 32 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2vlg h ALA 32 CO 0.59 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.11 2vlg n ASN 33 N -2.51 0.00 -0.32 0.00 0.23 -1.26 -3.09 115.26 108.31 2vlg n ASN 33 Ca 0.02 -1.28 0.07 0.00 -0.53 0.00 0.00 54.58 52.86 2vlg n ASN 33 Cb 0.29 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.25 2vlg n ASN 33 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2vlg h SER 34 N 0.00 0.87 0.43 0.53 4.64 -1.66 -2.30 113.55 116.07 2vlg h SER 34 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2vlg h SER 34 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2vlg h SER 34 CO 0.00 0.51 -0.21 0.50 -0.87 0.00 0.00 176.83 176.76 2vlg h LYS 35 N 0.96 -0.56 -0.52 4.77 1.63 -0.92 0.30 116.57 122.22 2vlg h LYS 35 Ca 0.44 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.38 2vlg h LYS 35 Cb 0.40 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 32.05 2vlg h LYS 35 CO -0.20 -0.32 -0.22 1.25 -3.45 0.00 0.00 179.45 176.51 2vlg h LEU 36 N -0.68 -0.77 0.01 5.20 5.85 -1.75 -0.49 115.31 122.67 2vlg h LEU 36 Ca -0.06 0.19 -0.30 0.00 0.84 0.00 0.00 57.88 58.55 2vlg h LEU 36 Cb 0.50 0.43 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2vlg h LEU 36 CO 0.10 -0.25 -1.73 1.41 -0.34 0.00 0.00 178.44 177.63 2vlg n HIS 37 N -5.41 1.03 -0.00 1.25 8.25 -0.88 -4.57 115.22 114.88 2vlg n HIS 37 Ca 0.05 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2vlg n HIS 37 Cb 0.32 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.25 2vlg n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2vlg n LEU 38 N -3.08 0.09 0.00 2.41 4.77 0.10 -5.01 117.00 116.28 2vlg n LEU 38 Ca -0.18 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2vlg n LEU 38 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2vlg n LEU 38 CO 0.45 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2vlg n GLY 39 N 0.86 1.38 3.47 -0.72 0.00 -0.19 -2.77 105.19 107.22 2vlg n GLY 39 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2vlg n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vlg s TYR 40 N -2.80 2.80 0.76 1.61 2.02 -1.23 -4.57 117.35 115.93 2vlg s TYR 40 Ca 0.00 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 2vlg s TYR 40 Cb 0.00 -1.72 0.05 0.00 -0.40 0.00 0.00 41.96 39.90 2vlg s TYR 40 CO 0.00 0.11 1.12 -0.51 -1.57 0.00 0.00 175.55 174.70 2vlg s LEU 41 N -0.43 3.15 0.33 -1.29 1.43 -1.26 -0.85 118.68 119.76 2vlg s LEU 41 Ca 0.05 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2vlg s LEU 41 Cb -0.12 -4.55 0.60 0.00 0.03 0.00 0.00 46.19 42.15 2vlg s LEU 41 CO 0.02 -2.14 1.94 1.56 0.23 0.00 0.00 176.35 177.96 2vlg h GLN 42 N -0.80 0.91 0.00 1.70 4.20 -1.86 0.15 115.11 119.41 2vlg h GLN 42 Ca -0.45 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 2vlg h GLN 42 Cb 1.25 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 2vlg h GLN 42 CO 0.50 0.60 -0.05 0.78 -0.67 0.00 0.00 178.83 179.99 2vlg h GLY 43 N 0.94 0.00 1.78 3.46 0.00 -1.91 0.19 103.07 107.53 2vlg h GLY 43 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2vlg h GLY 43 CO -0.11 0.00 -0.21 0.83 0.00 0.00 0.00 176.54 177.05 2vlg h GLU 44 N 0.00 0.00 0.00 4.80 5.08 -1.31 -3.37 114.58 119.77 2vlg h GLU 44 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2vlg h GLU 44 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2vlg h GLU 44 CO 0.01 0.00 -2.13 -1.33 -1.00 0.00 0.00 179.01 174.55 2vlg n MET 45 N -2.86 0.50 -1.75 2.33 2.81 -0.77 -4.84 117.12 112.53 2vlg n MET 45 Ca 0.03 0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.62 2vlg n MET 45 Cb 0.52 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.61 2vlg n MET 45 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2vlg s ILE 46 N -2.40 2.01 0.00 2.02 1.01 0.60 -1.24 121.20 123.20 2vlg s ILE 46 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2vlg s ILE 46 Cb 0.07 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2vlg s ILE 46 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2vlg n GLY 47 N 2.45 2.05 3.98 6.18 0.00 0.85 -4.92 105.19 115.78 2vlg n GLY 47 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2vlg n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vlg s SER 48 N -2.13 5.49 0.13 1.61 0.01 -0.37 -4.78 113.70 113.66 2vlg s SER 48 Ca 0.00 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 2vlg s SER 48 Cb 0.00 -0.93 -0.07 0.00 0.21 0.00 0.00 66.02 65.23 2vlg s SER 48 CO 0.00 -0.94 0.59 -0.36 0.41 0.00 0.00 173.24 172.94 2vlg s PHE 49 N -2.59 3.71 0.45 2.43 0.08 -1.26 -0.48 117.98 120.32 2vlg s PHE 49 Ca 0.55 1.23 0.11 0.00 0.12 0.00 0.00 56.93 58.93 2vlg s PHE 49 Cb -0.10 -2.48 1.03 0.00 -0.57 0.00 0.00 43.02 40.90 2vlg s PHE 49 CO 0.36 0.49 2.09 1.25 -0.10 0.00 0.00 175.22 179.31 2vlg h LEU 50 N 3.99 0.28 -2.27 -0.37 5.85 -1.20 -1.92 115.31 119.68 2vlg h LEU 50 Ca -0.49 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.27 2vlg h LEU 50 Cb 1.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2vlg h LEU 50 CO 0.65 0.20 0.21 0.07 -0.34 0.00 0.00 178.44 179.23 2vlg h LYS 51 N 0.33 0.00 0.00 1.25 2.10 -1.93 -0.29 116.57 118.04 2vlg h LYS 51 Ca 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.71 2vlg h LYS 51 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2vlg h LYS 51 CO -0.02 0.00 -0.20 1.15 -2.00 0.00 0.00 179.45 178.37 2vlg h THR 52 N 0.00 0.94 -0.01 0.07 2.02 -1.75 -2.95 112.91 111.23 2vlg h THR 52 Ca 0.07 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2vlg h THR 52 Cb 0.49 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2vlg h THR 52 CO -0.00 0.20 -0.39 0.49 0.37 0.00 0.00 175.52 176.19 2vlg n PHE 53 N -4.00 0.00 -3.40 3.16 3.72 -0.12 -4.99 117.46 111.84 2vlg n PHE 53 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 2vlg n PHE 53 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 2vlg n PHE 53 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vlg s LEU 54 N -2.25 4.16 0.24 4.37 1.43 -1.12 0.15 118.68 125.67 2vlg s LEU 54 Ca 0.17 0.94 -0.31 0.00 -1.03 0.00 0.00 54.13 53.90 2vlg s LEU 54 Cb 0.16 -3.70 -0.14 0.00 0.03 0.00 0.00 46.19 42.54 2vlg s LEU 54 CO 0.48 -0.08 1.29 1.57 0.23 0.00 0.00 176.35 179.84 2vlg n HIS 55 N -0.16 1.87 0.20 0.29 -0.00 -0.09 -4.72 115.22 112.61 2vlg n HIS 55 Ca 0.01 0.54 0.15 0.00 -0.00 0.00 0.00 57.72 58.41 2vlg n HIS 55 Cb 0.52 -2.39 0.77 0.00 -0.00 0.00 0.00 29.99 28.90 2vlg n HIS 55 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2vlg h GLU 56 N 3.52 0.00 0.00 1.57 4.11 -1.92 0.80 114.58 122.67 2vlg h GLU 56 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2vlg h GLU 56 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2vlg h GLU 56 CO 0.71 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.18 2vlg n GLU 57 N -4.11 0.12 -0.34 1.06 1.02 -1.26 -3.55 120.64 113.58 2vlg n GLU 57 Ca 0.01 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 2vlg n GLU 57 Cb 0.27 -1.66 0.29 0.00 -0.02 0.00 0.00 31.44 30.33 2vlg n GLU 57 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2vlg n ASP 58 N -1.86 3.78 -0.05 1.62 8.00 0.27 -4.60 116.55 123.72 2vlg n ASP 58 Ca 0.05 -2.00 -0.16 0.00 0.71 0.00 0.00 54.79 53.39 2vlg n ASP 58 Cb 0.33 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 2vlg n ASP 58 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2vlg h GLN 59 N 3.91 0.73 0.17 -1.24 4.20 -1.63 -2.16 115.11 119.08 2vlg h GLN 59 Ca 0.00 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 2vlg h GLN 59 Cb 0.95 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2vlg h GLN 59 CO 0.00 1.15 -0.08 0.74 -0.67 0.00 0.00 178.83 179.97 2vlg h PHE 60 N 0.44 -0.21 -0.42 2.96 0.04 -1.87 -2.20 116.94 115.68 2vlg h PHE 60 Ca -0.02 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.83 2vlg h PHE 60 Cb 1.21 0.07 -0.09 0.00 2.20 0.00 0.00 35.95 39.34 2vlg h PHE 60 CO 0.09 0.01 -0.19 1.25 -0.60 0.00 0.00 178.31 178.88 2vlg h LEU 61 N -0.40 -0.64 -0.10 1.54 5.85 -1.85 -0.58 115.31 119.14 2vlg h LEU 61 Ca -0.02 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2vlg h LEU 61 Cb 0.31 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2vlg h LEU 61 CO 0.04 -0.22 -0.11 0.58 -0.34 0.00 0.00 178.44 178.38 2vlg h VAL 62 N -0.10 1.37 -0.93 1.05 2.07 -1.45 -1.27 116.25 116.99 2vlg h VAL 62 Ca 0.21 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.50 2vlg h VAL 62 Cb 0.42 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2vlg h VAL 62 CO -0.49 0.37 0.58 -0.08 0.02 0.00 0.00 177.57 177.97 2vlg h GLU 63 N -0.18 0.98 -0.30 1.57 4.81 -1.17 -2.11 114.58 118.18 2vlg h GLU 63 Ca 0.01 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2vlg h GLU 63 Cb 0.65 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2vlg h GLU 63 CO 0.03 0.65 -0.09 1.03 -0.73 0.00 0.00 179.01 179.90 2vlg h SER 64 N 1.01 0.60 -0.46 1.04 0.87 -1.08 -2.19 113.55 113.32 2vlg h SER 64 Ca 0.42 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 2vlg h SER 64 Cb 0.28 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 2vlg h SER 64 CO -0.21 0.83 0.09 0.22 -0.53 0.00 0.00 176.83 177.24 2vlg h TYR 65 N 0.35 0.14 0.00 2.24 3.20 -0.63 -2.77 116.97 119.50 2vlg h TYR 65 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2vlg h TYR 65 Cb 0.58 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2vlg h TYR 65 CO 0.05 -0.00 -0.42 1.19 -1.64 0.00 0.00 178.16 177.34 2vlg n PHE 66 N -5.11 0.62 -0.06 -3.82 3.72 -0.85 -2.99 117.46 108.97 2vlg n PHE 66 Ca 0.05 0.18 -0.16 0.00 -0.05 0.00 0.00 57.45 57.47 2vlg n PHE 66 Cb 0.22 -0.71 -0.05 0.00 -0.94 0.00 0.00 39.48 38.00 2vlg n PHE 66 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2vlg h TYR 67 N 0.00 1.10 -4.00 1.38 3.20 -1.26 -3.47 116.97 113.93 2vlg h TYR 67 Ca 0.00 -0.42 -0.52 0.00 3.14 0.00 0.00 58.73 60.92 2vlg h TYR 67 Cb 0.72 -0.20 0.09 0.00 1.54 0.00 0.00 36.73 38.89 2vlg h TYR 67 CO 0.00 1.26 0.56 -0.80 -1.64 0.00 0.00 178.16 177.53 2vlg s ASN 68 N -7.00 5.94 0.01 -2.11 0.01 -1.06 -4.98 114.94 105.76 2vlg s ASN 68 Ca -0.11 2.54 -0.03 0.00 -0.71 0.00 0.00 52.86 54.56 2vlg s ASN 68 Cb 0.10 -2.62 -0.27 0.00 0.41 0.00 0.00 41.25 38.86 2vlg s ASN 68 CO 0.90 -1.09 0.89 -0.33 -1.51 0.00 0.00 177.10 175.96 2vlg h GLU 69 N 2.05 0.24 -5.48 -0.60 4.39 -1.90 -3.46 114.58 109.82 2vlg h GLU 69 Ca -0.50 -0.41 -0.60 0.00 0.34 0.00 0.00 59.36 58.19 2vlg h GLU 69 Cb 1.26 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.96 2vlg h GLU 69 CO 0.60 1.11 -0.38 -1.01 -1.16 0.00 0.00 179.01 178.17 2vlg s HIS 70 N -2.62 3.48 0.05 4.33 3.76 -1.26 -5.07 115.29 117.96 2vlg s HIS 70 Ca -0.08 0.54 0.01 0.00 -0.15 0.00 0.00 55.06 55.38 2vlg s HIS 70 Cb 0.07 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2vlg s HIS 70 CO 0.85 0.33 -0.05 -1.01 -0.85 0.00 0.00 174.74 174.01 2vlg s HIS 71 N 0.19 0.57 0.26 1.40 3.76 -1.26 -5.05 115.29 115.16 2vlg s HIS 71 Ca 0.14 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2vlg s HIS 71 Cb -0.13 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2vlg s HIS 71 CO 0.03 -0.21 0.00 -0.11 -0.85 0.00 0.00 174.74 173.60 2vlg n LEU 72 N 0.77 -0.08 -4.81 0.89 7.94 -1.26 -5.10 117.00 115.35 2vlg n LEU 72 Ca -0.18 0.44 -0.33 0.00 -1.11 0.00 0.00 56.01 54.82 2vlg n LEU 72 Cb 0.58 0.34 -0.05 0.00 0.53 0.00 0.00 43.42 44.82 2vlg n LEU 72 CO 0.25 -0.77 0.68 -0.04 -1.11 0.00 0.00 177.39 176.40 2vlg s MET 73 N -1.91 3.98 1.18 1.96 -1.94 -1.26 -5.05 119.30 116.27 2vlg s MET 73 Ca 0.00 1.23 -0.15 0.00 -1.71 0.00 0.00 55.69 55.05 2vlg s MET 73 Cb 0.00 -2.13 0.28 0.00 2.01 0.00 0.00 34.83 34.99 2vlg s MET 73 CO 0.00 -0.26 1.03 -1.25 -0.01 0.00 0.00 175.02 174.54 2vlg s PRO 74 N -3.28 -1.06 -0.18 2.03 0.04 -1.26 -5.00 135.00 126.28 2vlg s PRO 74 Ca 0.64 0.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 2vlg s PRO 74 Cb -0.13 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2vlg s PRO 74 CO 0.18 -3.73 0.04 0.00 0.04 0.00 0.00 177.00 173.53 2vlg s THR 76 N 0.52 3.90 0.23 0.00 2.01 -1.26 -0.67 115.64 120.36 2vlg s THR 76 Ca 0.02 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 2vlg s THR 76 Cb -0.13 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.64 2vlg s THR 76 CO 0.01 0.44 0.56 0.72 -0.69 0.00 0.00 174.62 175.66 2vlg s PHE 77 N 0.96 -0.01 -0.13 4.92 -0.12 -0.39 -4.99 117.98 118.22 2vlg s PHE 77 Ca 0.01 -0.37 -0.13 0.00 -0.05 0.00 0.00 56.93 56.40 2vlg s PHE 77 Cb -0.14 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 2vlg s PHE 77 CO 0.02 -1.01 0.29 1.03 -0.05 0.00 0.00 175.22 175.49 2vlg s ARG 78 N -3.92 4.08 -0.08 1.99 0.52 -1.26 -0.51 118.95 119.76 2vlg s ARG 78 Ca 0.13 0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 2vlg s ARG 78 Cb -0.02 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2vlg s ARG 78 CO 0.03 0.40 -0.00 0.12 0.02 0.00 0.00 175.30 175.86 2vlg s PHE 79 N -0.03 3.13 -0.37 -0.53 5.36 0.54 -0.92 117.98 125.16 2vlg s PHE 79 Ca 0.17 0.17 -0.18 0.00 -0.96 0.00 0.00 56.93 56.14 2vlg s PHE 79 Cb -0.13 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 2vlg s PHE 79 CO 0.06 0.46 0.49 0.42 -1.46 0.00 0.00 175.22 175.18 2vlg s ILE 80 N -0.89 5.04 1.07 3.12 -1.09 0.12 -0.50 121.20 128.07 2vlg s ILE 80 Ca 0.14 0.14 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 2vlg s ILE 80 Cb -0.11 -3.98 0.23 0.00 -1.58 0.00 0.00 42.46 37.02 2vlg s ILE 80 CO 0.03 -0.27 1.07 -0.54 -1.23 0.00 0.00 174.94 173.99 2vlg s LYS 81 N 2.33 -0.18 0.50 2.79 1.02 -0.05 -4.85 119.74 121.29 2vlg s LYS 81 Ca 0.17 0.62 0.19 0.00 0.02 0.00 0.00 55.97 56.97 2vlg s LYS 81 Cb -0.16 -1.66 1.25 0.00 -0.52 0.00 0.00 37.83 36.75 2vlg s LYS 81 CO 0.14 -3.17 2.04 -0.22 -0.92 0.00 0.00 175.35 173.21 2vlg h LYS 82 N -2.22 0.12 -0.18 1.68 3.64 -1.76 0.71 116.57 118.55 2vlg h LYS 82 Ca -0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2vlg h LYS 82 Cb 1.33 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2vlg h LYS 82 CO 0.55 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.41 2vlg n ASP 83 N -4.45 0.85 -0.64 4.20 5.68 -1.26 -4.87 116.55 116.07 2vlg n ASP 83 Ca 0.06 -2.01 -0.06 0.00 -0.50 0.00 0.00 54.79 52.28 2vlg n ASP 83 Cb 0.38 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.23 2vlg n ASP 83 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2vlg n HIS 84 N -0.05 -0.20 -4.43 2.11 8.25 0.24 -5.04 115.22 116.10 2vlg n HIS 84 Ca 0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2vlg n HIS 84 Cb 0.14 -1.73 -0.11 0.00 1.12 0.00 0.00 29.99 29.41 2vlg n HIS 84 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2vlg s THR 85 N -2.29 2.31 0.18 1.59 -4.23 -1.26 -4.91 115.64 107.04 2vlg s THR 85 Ca 0.00 -2.25 -0.24 0.00 -1.18 0.00 0.00 61.69 58.02 2vlg s THR 85 Cb 0.00 -2.19 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 2vlg s THR 85 CO 0.00 -0.34 0.77 -0.63 -0.54 0.00 0.00 174.62 173.88 2vlg s ILE 86 N -2.30 4.40 -0.04 2.99 1.01 -1.26 -0.87 121.20 125.13 2vlg s ILE 86 Ca 0.26 1.63 0.04 0.00 0.00 0.00 0.00 60.65 62.58 2vlg s ILE 86 Cb -0.05 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 2vlg s ILE 86 CO 0.12 0.45 -0.17 0.54 0.00 0.00 0.00 174.94 175.88 2vlg s VAL 87 N -1.24 1.39 0.13 2.92 0.11 0.35 -4.89 120.40 119.17 2vlg s VAL 87 Ca 0.38 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.49 2vlg s VAL 87 Cb -0.22 -1.20 -0.07 0.00 -1.53 0.00 0.00 36.38 33.36 2vlg s VAL 87 CO 0.25 0.40 0.76 0.26 -3.33 0.00 0.00 175.10 173.44 2vlg s TRP 88 N 0.08 3.86 0.07 1.54 0.52 -1.26 -0.34 118.94 123.41 2vlg s TRP 88 Ca -0.04 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.66 2vlg s TRP 88 Cb -0.12 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 2vlg s TRP 88 CO 0.02 0.47 -0.05 0.14 0.02 0.00 0.00 176.95 177.55 2vlg s VAL 89 N -0.91 0.50 0.03 4.03 -7.23 0.33 -0.40 120.40 116.75 2vlg s VAL 89 Ca 0.36 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.90 2vlg s VAL 89 Cb -0.22 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2vlg s VAL 89 CO 0.25 -0.82 -0.24 -1.83 -0.31 0.00 0.00 175.10 172.15 2vlg s GLU 90 N -3.39 1.94 0.06 4.82 -1.05 -0.25 -1.26 118.70 119.57 2vlg s GLU 90 Ca 0.06 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 53.88 2vlg s GLU 90 Cb 0.03 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 2vlg s GLU 90 CO -0.05 0.53 -0.12 0.00 0.95 0.00 0.00 175.26 176.57 2vlg s ALA 91 N -0.79 1.00 -0.00 -0.84 0.00 0.15 -1.22 121.76 120.07 2vlg s ALA 91 Ca 0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2vlg s ALA 91 Cb -0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2vlg s ALA 91 CO 0.02 0.12 0.02 0.00 0.00 0.00 0.00 175.76 175.92 2vlg s ALA 92 N -1.25 -0.03 0.03 0.00 0.00 -0.05 -0.24 121.76 120.20 2vlg s ALA 92 Ca -0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2vlg s ALA 92 Cb -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 2vlg s ALA 92 CO 0.02 -0.08 1.76 0.08 0.00 0.00 0.00 175.76 177.54 2vlg s VAL 93 N -0.58 3.15 -0.18 0.00 1.01 -1.26 -0.98 120.40 121.56 2vlg s VAL 93 Ca -0.06 0.38 0.15 0.00 0.00 0.00 0.00 61.98 62.45 2vlg s VAL 93 Cb -0.04 -3.24 -0.24 0.00 0.00 0.00 0.00 36.38 32.85 2vlg s VAL 93 CO -0.00 -0.02 0.15 1.21 0.00 0.00 0.00 175.10 176.44 2vlg n GLU 94 N 6.63 0.68 -3.71 2.72 2.13 0.11 -4.90 120.64 124.30 2vlg n GLU 94 Ca 0.18 0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 2vlg n GLU 94 Cb 0.41 -1.57 -0.10 0.00 0.27 0.00 0.00 31.44 30.45 2vlg n GLU 94 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2vlg s ILE 95 N -2.51 -0.01 0.01 6.31 -1.09 -1.23 -5.03 121.20 117.65 2vlg s ILE 95 Ca -0.12 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 2vlg s ILE 95 Cb 0.07 -0.65 -0.02 0.00 -1.58 0.00 0.00 42.46 40.28 2vlg s ILE 95 CO 0.81 0.01 -0.17 0.54 -1.23 0.00 0.00 174.94 174.89 2vlg s VAL 96 N 0.62 1.38 0.00 2.92 0.11 -1.26 -4.20 120.40 119.97 2vlg s VAL 96 Ca -0.03 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 2vlg s VAL 96 Cb -0.05 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2vlg s VAL 96 CO -0.04 0.29 0.00 -0.62 -3.33 0.00 0.00 175.10 171.40 2vlg n GLU 104 N 2.38 0.00 -4.06 1.54 -0.58 -1.26 -5.06 120.64 113.60 2vlg n GLU 104 Ca -0.16 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.22 2vlg n GLU 104 Cb 0.54 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.34 2vlg n GLU 104 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2vlg s ARG 105 N 0.00 3.28 0.47 3.49 1.81 -1.26 -4.99 118.95 121.74 2vlg s ARG 105 Ca 0.00 -0.23 -0.18 0.00 -1.72 0.00 0.00 55.73 53.60 2vlg s ARG 105 Cb 0.00 -3.04 -0.09 0.00 -0.45 0.00 0.00 34.95 31.36 2vlg s ARG 105 CO 0.00 0.75 0.95 -1.21 -0.68 0.00 0.00 175.30 175.10 2vlg s GLU 106 N -0.96 4.06 -0.24 3.54 8.01 -1.26 -3.93 118.70 127.92 2vlg s GLU 106 Ca 0.14 0.99 -0.10 0.00 0.01 0.00 0.00 54.97 56.01 2vlg s GLU 106 Cb -0.12 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 2vlg s GLU 106 CO 0.03 -0.14 0.13 0.42 0.01 0.00 0.00 175.26 175.71 2vlg s ILE 107 N -2.40 5.08 -0.29 -1.63 1.01 0.27 -4.94 121.20 118.30 2vlg s ILE 107 Ca 0.60 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.22 2vlg s ILE 107 Cb -0.10 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2vlg s ILE 107 CO 0.23 0.35 0.19 -0.63 0.00 0.00 0.00 174.94 175.08 2vlg s ILE 108 N 1.14 5.17 0.18 2.92 1.01 -1.26 -0.77 121.20 129.58 2vlg s ILE 108 Ca 0.06 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.81 2vlg s ILE 108 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2vlg s ILE 108 CO 0.05 0.18 -0.18 -1.48 0.00 0.00 0.00 174.94 173.51 2vlg s LEU 109 N 1.73 2.46 0.08 2.97 0.05 -0.28 0.05 118.68 125.74 2vlg s LEU 109 Ca 0.07 -0.90 0.09 0.00 0.05 0.00 0.00 54.13 53.44 2vlg s LEU 109 Cb -0.16 -0.83 -0.03 0.00 -2.05 0.00 0.00 46.19 43.11 2vlg s LEU 109 CO 0.10 -0.04 -0.22 -1.59 -0.55 0.00 0.00 176.35 174.04 2vlg s LYS 110 N -2.96 1.78 0.03 1.48 -2.85 -0.15 -1.66 119.74 115.40 2vlg s LYS 110 Ca 0.18 -1.15 -0.17 0.00 -1.00 0.00 0.00 55.97 53.83 2vlg s LYS 110 Cb -0.05 -2.05 0.03 0.00 -2.06 0.00 0.00 37.83 33.70 2vlg s LYS 110 CO 0.07 0.50 0.38 0.00 0.10 0.00 0.00 175.35 176.40 2vlg s MET 111 N -1.69 0.85 -0.01 1.78 0.23 -0.10 -0.88 119.30 119.49 2vlg s MET 111 Ca 0.14 -0.34 -0.07 0.00 -1.03 0.00 0.00 55.69 54.40 2vlg s MET 111 Cb -0.10 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.58 2vlg s MET 111 CO 0.06 -0.28 0.13 -1.59 -2.03 0.00 0.00 175.02 171.31 2vlg s LYS 112 N -2.21 0.43 0.10 3.16 -2.85 -0.35 0.08 119.74 118.10 2vlg s LYS 112 Ca -0.07 -0.32 -0.31 0.00 -1.00 0.00 0.00 55.97 54.27 2vlg s LYS 112 Cb -0.02 0.18 -0.07 0.00 -2.06 0.00 0.00 37.83 35.86 2vlg s LYS 112 CO -0.01 -0.10 1.35 0.08 0.10 0.00 0.00 175.35 176.78 2vlg s VAL 113 N -1.16 3.46 -2.27 1.79 1.01 -1.26 -1.09 120.40 120.88 2vlg s VAL 113 Ca -0.13 1.04 0.30 0.00 0.00 0.00 0.00 61.98 63.19 2vlg s VAL 113 Cb -0.07 -3.67 0.72 0.00 0.00 0.00 0.00 36.38 33.37 2vlg s VAL 113 CO 0.01 0.08 1.97 0.18 0.00 0.00 0.00 175.10 177.34