#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 6.67 -0.10 3.42 1.01 -1.26 -4.93 116.67 121.48 2vlg s ASP 16 Ca 0.00 1.49 -0.17 0.00 0.71 0.00 0.00 52.55 54.58 2vlg s ASP 16 Cb 0.00 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 2vlg s ASP 16 CO 0.00 -0.49 0.44 -0.63 0.21 0.00 0.00 175.17 174.70 2vlg s ILE 17 N -2.47 5.17 -0.11 0.77 1.01 0.19 -4.91 121.20 120.85 2vlg s ILE 17 Ca 0.58 0.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.08 2vlg s ILE 17 Cb -0.10 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2vlg s ILE 17 CO 0.27 0.38 -0.01 -1.00 0.00 0.00 0.00 174.94 174.59 2vlg s HIS 18 N 0.26 3.12 0.03 3.97 3.76 -1.26 -0.52 115.29 124.66 2vlg s HIS 18 Ca 0.24 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.19 2vlg s HIS 18 Cb -0.15 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 2vlg s HIS 18 CO 0.10 0.32 0.02 0.00 -0.85 0.00 0.00 174.74 174.33 2vlg s ALA 19 N -0.49 0.14 -0.09 -1.40 0.00 -0.55 -1.01 121.76 118.36 2vlg s ALA 19 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2vlg s ALA 19 Cb -0.12 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2vlg s ALA 19 CO 0.02 -0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.46 2vlg s VAL 20 N -2.43 1.31 0.03 0.00 1.01 -0.00 -1.31 120.40 119.01 2vlg s VAL 20 Ca -0.07 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.42 2vlg s VAL 20 Cb -0.03 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2vlg s VAL 20 CO -0.04 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 174.59 2vlg s LEU 21 N 0.92 2.99 0.94 3.92 1.43 0.68 -0.83 118.68 128.72 2vlg s LEU 21 Ca -0.09 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2vlg s LEU 21 Cb -0.15 -1.74 0.15 0.00 0.03 0.00 0.00 46.19 44.49 2vlg s LEU 21 CO 0.00 0.26 1.11 0.00 0.23 0.00 0.00 176.35 177.95 2vlg s ALA 22 N -1.01 1.45 0.62 4.21 0.00 0.37 -0.57 121.76 126.83 2vlg s ALA 22 Ca 0.17 -0.40 0.35 0.00 0.00 0.00 0.00 51.96 52.07 2vlg s ALA 22 Cb -0.11 -3.08 2.03 0.00 0.00 0.00 0.00 23.12 21.95 2vlg s ALA 22 CO 0.08 -2.48 2.28 0.66 0.00 0.00 0.00 175.76 176.30 2vlg h SER 23 N -1.64 0.00 -0.26 0.00 4.64 -1.84 -0.81 113.55 113.64 2vlg h SER 23 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 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 -3.57 2.15 0.00 4.97 6.94 -1.26 -4.92 115.26 119.57 2vlg n ASN 24 Ca -0.03 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 2vlg n ASN 24 Cb 0.10 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 1.22 0.74 3.75 4.83 0.00 -0.31 -4.97 105.19 110.45 2vlg n GLY 25 Ca 0.16 0.00 -0.41 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 -0.23 4.13 -0.49 1.61 3.52 -1.26 -1.13 118.95 125.10 2vlg s ARG 26 Ca 0.00 2.57 -0.28 0.00 -0.13 0.00 0.00 55.73 57.89 2vlg s ARG 26 Cb 0.00 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 2vlg s ARG 26 CO 0.00 -0.63 1.07 0.42 -0.81 0.00 0.00 175.30 175.36 2vlg s ILE 27 N 0.03 4.27 0.04 4.11 1.01 0.24 -0.48 121.20 130.41 2vlg s ILE 27 Ca 0.63 1.01 -0.10 0.00 0.00 0.00 0.00 60.65 62.19 2vlg s ILE 27 Cb -0.48 -4.57 -0.32 0.00 0.01 0.00 0.00 42.46 37.11 2vlg s ILE 27 CO 0.47 -1.00 1.01 0.40 0.00 0.00 0.00 174.94 175.82 2vlg h ILE 28 N 6.18 1.32 -2.55 2.92 2.04 -1.31 0.48 117.51 126.58 2vlg h ILE 28 Ca -0.24 -2.83 -0.09 0.00 1.00 0.00 0.00 64.86 62.70 2vlg h ILE 28 Cb 1.06 2.95 -0.20 0.00 -0.74 0.00 0.00 36.82 39.90 2vlg h ILE 28 CO 1.10 0.85 -0.08 -0.47 0.00 0.00 0.00 178.15 179.55 2vlg s TYR 29 N -2.62 -0.43 -0.04 1.37 5.04 -1.05 -4.82 117.35 114.80 2vlg s TYR 29 Ca -0.08 0.82 -0.10 0.00 -2.44 0.00 0.00 57.07 55.27 2vlg s TYR 29 Cb 0.06 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.61 2vlg s TYR 29 CO 0.91 -0.44 0.23 -1.50 -1.34 0.00 0.00 175.55 173.41 2vlg s ILE 30 N -0.92 0.04 0.78 3.14 2.07 -1.26 -0.82 121.20 124.23 2vlg s ILE 30 Ca -0.10 -0.35 -0.11 0.00 -1.41 0.00 0.00 60.65 58.68 2vlg s ILE 30 Cb -0.03 -0.45 0.06 0.00 0.13 0.00 0.00 42.46 42.16 2vlg s ILE 30 CO 0.05 -0.19 1.08 -0.94 -1.91 0.00 0.00 174.94 173.03 2vlg s SER 31 N -0.76 4.57 0.56 4.50 1.04 -0.18 -4.86 113.70 118.57 2vlg s SER 31 Ca -0.08 1.63 0.32 0.00 0.48 0.00 0.00 55.95 58.30 2vlg s SER 31 Cb -0.05 -2.39 1.62 0.00 0.10 0.00 0.00 66.02 65.31 2vlg s SER 31 CO 0.02 -1.96 2.11 0.00 0.98 0.00 0.00 173.24 174.38 2vlg h ALA 32 N -1.08 1.15 0.00 5.32 0.00 -1.98 -1.88 119.26 120.79 2vlg h ALA 32 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2vlg h ALA 32 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vlg h ALA 32 CO 0.55 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.15 2vlg n ASN 33 N -3.40 0.00 -0.20 0.00 0.23 -1.26 -2.66 115.26 107.98 2vlg n ASN 33 Ca -0.01 -0.83 -0.04 0.00 -0.53 0.00 0.00 54.58 53.17 2vlg n ASN 33 Cb 0.22 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 37.99 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 0.50 0.06 0.53 4.64 -1.58 -1.89 113.55 115.81 2vlg h SER 34 Ca 0.00 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2vlg h SER 34 Cb 0.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2vlg h SER 34 CO 0.00 0.34 -0.20 0.50 -0.87 0.00 0.00 176.83 176.59 2vlg h LYS 35 N 0.63 -0.35 -0.68 4.77 1.63 -0.49 0.48 116.57 122.57 2vlg h LYS 35 Ca 0.25 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.21 2vlg h LYS 35 Cb 0.11 0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 31.72 2vlg h LYS 35 CO -0.14 -0.23 0.15 1.25 -3.45 0.00 0.00 179.45 177.02 2vlg h LEU 36 N -0.36 -0.00 0.00 5.20 5.85 -1.71 -1.57 115.31 122.72 2vlg h LEU 36 Ca 0.04 0.13 -0.34 0.00 0.84 0.00 0.00 57.88 58.55 2vlg h LEU 36 Cb 0.40 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2vlg h LEU 36 CO -0.14 -0.02 -2.33 1.41 -0.34 0.00 0.00 178.44 177.02 2vlg n HIS 37 N -5.15 0.00 0.23 1.25 8.25 -0.73 -4.57 115.22 114.50 2vlg n HIS 37 Ca 0.12 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.60 2vlg n HIS 37 Cb 0.39 -0.95 -0.03 0.00 1.12 0.00 0.00 29.99 30.53 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 -2.70 0.23 0.00 2.41 4.77 0.17 -5.01 117.00 116.86 2vlg n LEU 38 Ca -0.31 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2vlg n LEU 38 Cb 1.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 2vlg n LEU 38 CO 0.42 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2vlg n GLY 39 N 1.25 0.81 3.44 -0.72 0.00 -0.59 -2.70 105.19 106.68 2vlg n GLY 39 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.11 2.78 0.72 1.61 2.02 -1.25 -4.54 117.35 115.59 2vlg s TYR 40 Ca 0.00 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 2vlg s TYR 40 Cb 0.00 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2vlg s TYR 40 CO 0.00 0.03 1.14 -0.51 -1.57 0.00 0.00 175.55 174.63 2vlg s LEU 41 N -0.24 3.25 0.29 -1.29 1.43 -1.26 -0.39 118.68 120.47 2vlg s LEU 41 Ca 0.02 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.21 2vlg s LEU 41 Cb -0.13 -4.56 0.56 0.00 0.03 0.00 0.00 46.19 42.09 2vlg s LEU 41 CO 0.03 -2.02 1.85 1.56 0.23 0.00 0.00 176.35 178.00 2vlg h GLN 42 N -0.45 0.96 0.00 1.70 4.20 -1.85 -0.25 115.11 119.42 2vlg h GLN 42 Ca -0.46 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 2vlg h GLN 42 Cb 1.26 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 2vlg h GLN 42 CO 0.51 0.64 -0.02 0.78 -0.67 0.00 0.00 178.83 180.07 2vlg h GLY 43 N 0.99 0.00 1.68 3.46 0.00 -1.91 0.85 103.07 108.14 2vlg h GLY 43 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2vlg h GLY 43 CO -0.24 0.00 -0.30 0.83 0.00 0.00 0.00 176.54 176.83 2vlg h GLU 44 N 0.00 0.00 0.00 4.80 5.08 -1.40 -3.37 114.58 119.70 2vlg h GLU 44 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2vlg h GLU 44 Cb 0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2vlg h GLU 44 CO 0.00 0.00 -2.35 -1.33 -1.00 0.00 0.00 179.01 174.33 2vlg n MET 45 N -2.80 0.57 -1.82 2.33 2.81 -0.83 -4.83 117.12 112.55 2vlg n MET 45 Ca 0.03 0.16 -0.42 0.00 -1.81 0.00 0.00 57.70 55.66 2vlg n MET 45 Cb 0.51 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.47 2.26 0.00 2.02 1.01 0.23 -1.35 121.20 122.90 2vlg s ILE 46 Ca -0.32 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2vlg s ILE 46 Cb 0.09 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2vlg s ILE 46 CO 0.52 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2vlg n GLY 47 N 3.37 2.69 3.92 6.18 0.00 0.17 -4.91 105.19 116.61 2vlg n GLY 47 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.34 6.37 0.27 1.61 0.01 -0.46 -4.77 113.70 115.39 2vlg s SER 48 Ca 0.00 0.56 -0.29 0.00 1.31 0.00 0.00 55.95 57.53 2vlg s SER 48 Cb 0.00 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 2vlg s SER 48 CO 0.00 -0.22 1.00 -0.36 0.41 0.00 0.00 173.24 174.07 2vlg s PHE 49 N -2.16 3.77 0.29 2.43 0.08 -1.26 -0.60 117.98 120.52 2vlg s PHE 49 Ca 0.41 1.81 -0.02 0.00 0.12 0.00 0.00 56.93 59.26 2vlg s PHE 49 Cb -0.10 -3.08 0.44 0.00 -0.57 0.00 0.00 43.02 39.70 2vlg s PHE 49 CO 0.33 0.02 1.93 1.25 -0.10 0.00 0.00 175.22 178.65 2vlg h LEU 50 N 3.80 0.98 -0.99 -0.37 5.85 -1.46 -2.52 115.31 120.60 2vlg h LEU 50 Ca -0.46 -0.01 0.35 0.00 0.84 0.00 0.00 57.88 58.59 2vlg h LEU 50 Cb 1.20 -0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.85 2vlg h LEU 50 CO 0.67 0.67 0.50 0.50 -0.34 0.00 0.00 178.44 180.44 2vlg h LYS 51 N 1.14 0.17 -0.01 1.25 3.64 -1.93 -0.80 116.57 120.04 2vlg h LYS 51 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2vlg h LYS 51 Cb 0.01 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2vlg h LYS 51 CO -0.11 0.12 0.01 1.15 -2.27 0.00 0.00 179.45 178.35 2vlg h THR 52 N 0.18 0.45 -0.02 1.00 2.02 -1.85 -1.72 112.91 112.97 2vlg h THR 52 Ca 0.75 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.93 2vlg h THR 52 Cb 1.80 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2vlg h THR 52 CO -0.69 0.00 -0.20 0.49 0.37 0.00 0.00 175.52 175.50 2vlg n PHE 53 N -3.74 0.00 -3.91 3.16 3.72 -0.31 -4.94 117.46 111.44 2vlg n PHE 53 Ca -0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 2vlg n PHE 53 Cb 0.09 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.18 4.35 0.32 4.37 1.43 -0.65 0.83 118.68 127.15 2vlg s LEU 54 Ca 0.24 0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 2vlg s LEU 54 Cb 0.19 -2.53 -0.13 0.00 0.03 0.00 0.00 46.19 43.75 2vlg s LEU 54 CO 0.41 0.28 1.32 1.57 0.23 0.00 0.00 176.35 180.16 2vlg n HIS 55 N 1.08 2.26 0.01 0.29 -0.00 -0.39 -4.78 115.22 113.68 2vlg n HIS 55 Ca -0.12 0.52 0.12 0.00 -0.00 0.00 0.00 57.72 58.24 2vlg n HIS 55 Cb 0.53 -2.43 0.56 0.00 -0.00 0.00 0.00 29.99 28.65 2vlg n HIS 55 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2vlg h GLU 56 N 2.98 0.24 0.00 1.57 4.81 -1.93 -0.03 114.58 122.22 2vlg h GLU 56 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2vlg h GLU 56 Cb 1.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2vlg h GLU 56 CO 0.66 0.16 0.00 0.39 -0.73 0.00 0.00 179.01 179.49 2vlg n GLU 57 N -4.46 0.14 0.00 1.92 1.02 -1.26 -2.89 120.64 115.11 2vlg n GLU 57 Ca 0.06 0.33 0.04 0.00 -0.02 0.00 0.00 57.16 57.58 2vlg n GLU 57 Cb 0.34 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.01 0.63 -0.02 1.62 8.00 -0.06 -4.73 116.55 119.98 2vlg n ASP 58 Ca 0.03 -0.82 -0.10 0.00 0.71 0.00 0.00 54.79 54.62 2vlg n ASP 58 Cb 0.24 0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 42.11 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 0.33 0.08 -0.61 -1.24 4.20 -1.33 -1.82 115.11 114.74 2vlg h GLN 59 Ca 0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2vlg h GLN 59 Cb 0.22 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2vlg h GLN 59 CO 0.00 0.05 0.12 0.35 -0.67 0.00 0.00 178.83 178.69 2vlg h PHE 60 N 0.09 1.04 -0.49 2.96 3.57 -1.85 -1.74 116.94 120.52 2vlg h PHE 60 Ca 0.06 -0.13 0.10 0.00 3.53 0.00 0.00 57.97 61.53 2vlg h PHE 60 Cb 0.06 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.42 2vlg h PHE 60 CO -0.13 0.89 -0.06 1.25 -2.23 0.00 0.00 178.31 178.03 2vlg h LEU 61 N 0.89 -0.33 -0.18 0.59 5.85 -1.78 0.14 115.31 120.49 2vlg h LEU 61 Ca 0.19 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 2vlg h LEU 61 Cb 0.39 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2vlg h LEU 61 CO 0.01 -0.12 -0.26 0.58 -0.34 0.00 0.00 178.44 178.31 2vlg h VAL 62 N 0.06 1.34 -0.20 1.05 2.07 -1.17 -1.36 116.25 118.04 2vlg h VAL 62 Ca 0.24 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2vlg h VAL 62 Cb 0.37 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2vlg h VAL 62 CO -0.46 0.44 0.12 -0.08 0.02 0.00 0.00 177.57 177.62 2vlg h GLU 63 N 0.15 0.26 -0.42 1.57 4.81 -1.03 -2.04 114.58 117.88 2vlg h GLU 63 Ca 0.02 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2vlg h GLU 63 Cb 0.83 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2vlg h GLU 63 CO 0.06 0.20 0.14 1.03 -0.73 0.00 0.00 179.01 179.70 2vlg h SER 64 N 0.25 0.13 -0.65 1.04 0.87 -0.76 -2.06 113.55 112.37 2vlg h SER 64 Ca 0.07 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2vlg h SER 64 Cb -0.00 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 2vlg h SER 64 CO -0.01 0.11 0.39 0.22 -0.53 0.00 0.00 176.83 177.00 2vlg h TYR 65 N 0.30 0.72 0.00 2.24 3.20 -0.92 -1.52 116.97 121.00 2vlg h TYR 65 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2vlg h TYR 65 Cb 0.20 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2vlg h TYR 65 CO -0.16 0.39 -0.27 1.19 -1.64 0.00 0.00 178.16 177.66 2vlg n PHE 66 N -4.74 0.75 0.06 -3.82 3.72 -0.80 -2.78 117.46 109.86 2vlg n PHE 66 Ca 0.07 0.22 -0.09 0.00 -0.05 0.00 0.00 57.45 57.60 2vlg n PHE 66 Cb 0.12 -0.81 -0.13 0.00 -0.94 0.00 0.00 39.48 37.72 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 0.11 -4.05 1.38 3.20 -1.13 -3.47 116.97 113.01 2vlg h TYR 67 Ca 0.00 -0.08 -0.52 0.00 3.14 0.00 0.00 58.73 61.27 2vlg h TYR 67 Cb 0.74 -0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.10 2vlg h TYR 67 CO 0.00 1.07 0.50 -0.80 -1.64 0.00 0.00 178.16 177.29 2vlg s ASN 68 N -6.75 5.58 -0.01 -2.11 0.01 -0.59 -4.95 114.94 106.11 2vlg s ASN 68 Ca -0.01 2.42 0.13 0.00 -0.71 0.00 0.00 52.86 54.69 2vlg s ASN 68 Cb 0.09 -2.61 -0.21 0.00 0.41 0.00 0.00 41.25 38.94 2vlg s ASN 68 CO 0.83 -1.33 0.74 -0.33 -1.51 0.00 0.00 177.10 175.50 2vlg h GLU 69 N 1.42 0.00 -5.24 -0.60 4.39 -1.91 -3.46 114.58 109.18 2vlg h GLU 69 Ca -0.50 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.58 2vlg h GLU 69 Cb 1.28 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.79 2vlg h GLU 69 CO 0.57 0.49 -0.30 -1.01 -1.16 0.00 0.00 179.01 177.60 2vlg s HIS 70 N -2.66 3.31 0.06 4.33 3.76 -1.26 -5.04 115.29 117.79 2vlg s HIS 70 Ca -0.04 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.33 2vlg s HIS 70 Cb 0.08 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 2vlg s HIS 70 CO 0.82 -0.06 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.55 2vlg s HIS 71 N 1.49 0.83 0.16 1.40 3.76 -1.26 -5.05 115.29 116.62 2vlg s HIS 71 Ca 0.14 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 2vlg s HIS 71 Cb -0.15 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.06 2vlg s HIS 71 CO 0.08 -0.06 0.00 -0.11 -0.85 0.00 0.00 174.74 173.80 2vlg n LEU 72 N 1.13 -0.00 -4.82 0.89 7.94 -1.26 -5.11 117.00 115.77 2vlg n LEU 72 Ca -0.20 0.27 -0.33 0.00 -1.11 0.00 0.00 56.01 54.64 2vlg n LEU 72 Cb 0.56 0.19 -0.02 0.00 0.53 0.00 0.00 43.42 44.68 2vlg n LEU 72 CO 0.23 -0.67 0.70 -0.04 -1.11 0.00 0.00 177.39 176.49 2vlg s MET 73 N -1.59 3.65 1.14 1.96 -1.94 -1.26 -5.05 119.30 116.21 2vlg s MET 73 Ca 0.00 1.13 -0.16 0.00 -1.71 0.00 0.00 55.69 54.95 2vlg s MET 73 Cb 0.00 -2.08 0.25 0.00 2.01 0.00 0.00 34.83 35.01 2vlg s MET 73 CO 0.00 -0.53 1.08 -1.25 -0.01 0.00 0.00 175.02 174.31 2vlg s PRO 74 N -3.93 -0.68 -0.21 2.03 0.04 -1.26 -5.02 135.00 125.97 2vlg s PRO 74 Ca 0.62 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 2vlg s PRO 74 Cb -0.13 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2vlg s PRO 74 CO 0.32 -3.42 0.17 0.00 0.04 0.00 0.00 177.00 174.11 2vlg s THR 76 N 0.69 3.67 0.28 0.00 2.01 -1.26 -0.65 115.64 120.38 2vlg s THR 76 Ca 0.09 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 2vlg s THR 76 Cb -0.12 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.78 2vlg s THR 76 CO 0.02 0.48 0.59 0.72 -0.69 0.00 0.00 174.62 175.74 2vlg s PHE 77 N 0.60 0.17 -0.23 4.92 -0.12 -0.81 -4.99 117.98 117.52 2vlg s PHE 77 Ca -0.03 -0.59 -0.11 0.00 -0.05 0.00 0.00 56.93 56.15 2vlg s PHE 77 Cb -0.15 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 2vlg s PHE 77 CO 0.03 -1.14 0.16 1.03 -0.05 0.00 0.00 175.22 175.25 2vlg s ARG 78 N -3.80 4.10 -0.13 1.99 0.52 -1.26 -0.57 118.95 119.80 2vlg s ARG 78 Ca 0.18 -0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 2vlg s ARG 78 Cb -0.03 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 2vlg s ARG 78 CO 0.09 0.11 0.11 0.12 0.02 0.00 0.00 175.30 175.75 2vlg s PHE 79 N 0.90 3.47 -0.42 -0.53 5.36 0.27 -1.27 117.98 125.77 2vlg s PHE 79 Ca 0.08 0.40 -0.17 0.00 -0.96 0.00 0.00 56.93 56.28 2vlg s PHE 79 Cb -0.13 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2vlg s PHE 79 CO 0.03 0.56 0.40 0.42 -1.46 0.00 0.00 175.22 175.18 2vlg s ILE 80 N -0.63 5.13 1.02 3.12 1.01 0.24 -0.96 121.20 130.13 2vlg s ILE 80 Ca 0.12 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2vlg s ILE 80 Cb -0.12 -4.01 0.21 0.00 0.01 0.00 0.00 42.46 38.55 2vlg s ILE 80 CO 0.02 -0.39 1.09 -0.54 0.00 0.00 0.00 174.94 175.12 2vlg s LYS 81 N 2.03 0.17 0.44 2.79 1.02 0.07 -4.85 119.74 121.41 2vlg s LYS 81 Ca 0.10 1.15 0.11 0.00 0.02 0.00 0.00 55.97 57.36 2vlg s LYS 81 Cb -0.17 -1.66 0.99 0.00 -0.52 0.00 0.00 37.83 36.46 2vlg s LYS 81 CO 0.13 -3.08 2.04 -0.22 -0.92 0.00 0.00 175.35 173.30 2vlg h LYS 82 N -2.18 0.41 -0.05 1.68 3.64 -1.75 0.53 116.57 118.86 2vlg h LYS 82 Ca -0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2vlg h LYS 82 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2vlg h LYS 82 CO 0.47 0.27 0.00 -0.40 -2.27 0.00 0.00 179.45 177.52 2vlg n ASP 83 N -4.48 0.05 -0.69 4.20 5.68 -1.26 -4.87 116.55 115.17 2vlg n ASP 83 Ca 0.05 -1.72 -0.08 0.00 -0.50 0.00 0.00 54.79 52.55 2vlg n ASP 83 Cb 0.19 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.47 -0.13 -4.36 2.11 8.25 0.18 -5.02 115.22 115.78 2vlg n HIS 84 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2vlg n HIS 84 Cb 0.01 -1.78 -0.08 0.00 1.12 0.00 0.00 29.99 29.26 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 -2.32 2.93 0.03 1.59 -4.23 -1.26 -4.90 115.64 107.48 2vlg s THR 85 Ca 0.00 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 2vlg s THR 85 Cb 0.00 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 2vlg s THR 85 CO 0.00 -0.33 0.45 -0.63 -0.54 0.00 0.00 174.62 173.57 2vlg s ILE 86 N -2.44 4.96 0.00 2.99 1.01 -1.26 -0.75 121.20 125.72 2vlg s ILE 86 Ca 0.32 0.91 0.07 0.00 0.00 0.00 0.00 60.65 61.94 2vlg s ILE 86 Cb -0.04 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 2vlg s ILE 86 CO 0.18 0.55 -0.20 0.54 0.00 0.00 0.00 174.94 176.01 2vlg s VAL 87 N -1.12 1.63 0.13 2.92 0.11 -0.14 -4.91 120.40 119.02 2vlg s VAL 87 Ca 0.26 -0.97 -0.26 0.00 -2.93 0.00 0.00 61.98 58.08 2vlg s VAL 87 Cb -0.17 -1.37 -0.07 0.00 -1.53 0.00 0.00 36.38 33.24 2vlg s VAL 87 CO 0.15 0.38 0.79 0.26 -3.33 0.00 0.00 175.10 173.35 2vlg s TRP 88 N -0.58 3.85 0.11 1.54 0.52 -1.26 -0.56 118.94 122.56 2vlg s TRP 88 Ca 0.08 1.61 0.06 0.00 0.02 0.00 0.00 56.10 57.87 2vlg s TRP 88 Cb -0.08 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.39 2vlg s TRP 88 CO 0.00 0.41 -0.16 0.08 0.02 0.00 0.00 176.95 177.30 2vlg s VAL 89 N -0.70 1.39 -0.02 4.03 1.01 0.26 -0.54 120.40 125.83 2vlg s VAL 89 Ca 0.38 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.82 2vlg s VAL 89 Cb -0.22 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2vlg s VAL 89 CO 0.26 -0.30 -0.22 -1.83 0.00 0.00 0.00 175.10 173.01 2vlg s GLU 90 N -2.31 1.81 0.05 2.72 -1.05 -0.60 -1.93 118.70 117.39 2vlg s GLU 90 Ca 0.06 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.11 2vlg s GLU 90 Cb -0.07 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 2vlg s GLU 90 CO 0.03 0.47 -0.08 0.00 0.95 0.00 0.00 175.26 176.64 2vlg s ALA 91 N -0.50 0.68 0.04 -0.84 0.00 0.17 -0.95 121.76 120.36 2vlg s ALA 91 Ca 0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2vlg s ALA 91 Cb -0.09 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2vlg s ALA 91 CO -0.01 -0.06 0.26 0.00 0.00 0.00 0.00 175.76 175.95 2vlg s ALA 92 N -1.85 -0.57 0.14 0.00 0.00 -0.67 -0.43 121.76 118.38 2vlg s ALA 92 Ca -0.05 -0.07 -0.34 0.00 0.00 0.00 0.00 51.96 51.50 2vlg s ALA 92 Cb -0.07 0.28 -0.14 0.00 0.00 0.00 0.00 23.12 23.19 2vlg s ALA 92 CO -0.01 -0.37 1.57 0.28 0.00 0.00 0.00 175.76 177.23 2vlg n VAL 93 N 0.71 0.02 -0.04 0.00 0.31 -1.26 -1.04 118.33 117.04 2vlg n VAL 93 Ca -0.19 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 2vlg n VAL 93 Cb 0.59 -1.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.90 2vlg n VAL 93 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2vlg n GLU 94 N 3.45 0.72 -3.94 5.55 2.13 0.80 -4.76 120.64 124.60 2vlg n GLU 94 Ca 0.17 0.24 -0.17 0.00 0.66 0.00 0.00 57.16 58.06 2vlg n GLU 94 Cb 0.28 -1.65 -0.16 0.00 0.27 0.00 0.00 31.44 30.17 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 -2.54 0.19 0.09 6.31 1.01 -1.21 -5.01 121.20 120.04 2vlg s ILE 95 Ca -0.26 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 2vlg s ILE 95 Cb 0.07 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 2vlg s ILE 95 CO 0.71 0.14 1.08 -0.69 0.00 0.00 0.00 174.94 176.19 2vlg s VAL 96 N 0.98 4.26 0.00 2.92 1.01 -1.26 -4.44 120.40 123.86 2vlg s VAL 96 Ca -0.10 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2vlg s VAL 96 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2vlg s VAL 96 CO -0.02 0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.64 2vlg n THR 97 N 3.29 0.00 0.00 3.92 -2.24 -1.26 -5.10 114.28 112.89 2vlg n THR 97 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2vlg n THR 97 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2vlg n THR 97 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2vlg n ARG 105 N 0.00 0.00 -3.99 -0.78 1.74 -1.26 -5.12 116.66 107.25 2vlg n ARG 105 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2vlg n ARG 105 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2vlg n ARG 105 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2vlg s GLU 106 N -1.47 3.30 -0.13 5.56 8.01 -1.26 -2.68 118.70 130.03 2vlg s GLU 106 Ca 0.00 -0.72 -0.00 0.00 0.01 0.00 0.00 54.97 54.26 2vlg s GLU 106 Cb 0.00 -2.86 -0.02 0.00 -4.31 0.00 0.00 34.13 26.94 2vlg s GLU 106 CO 0.00 0.48 -0.12 0.42 0.01 0.00 0.00 175.26 176.06 2vlg s ILE 107 N -1.83 3.18 -0.30 -1.63 -1.09 0.26 -4.95 121.20 114.84 2vlg s ILE 107 Ca 0.34 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 58.09 2vlg s ILE 107 Cb -0.10 -2.33 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 2vlg s ILE 107 CO 0.27 0.53 0.03 -0.63 -1.23 0.00 0.00 174.94 173.91 2vlg s ILE 108 N 0.25 3.37 0.19 2.92 1.01 -1.26 -0.23 121.20 127.44 2vlg s ILE 108 Ca -0.08 -1.11 0.10 0.00 0.00 0.00 0.00 60.65 59.56 2vlg s ILE 108 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2vlg s ILE 108 CO 0.05 -0.03 -0.19 -1.48 0.00 0.00 0.00 174.94 173.29 2vlg s LEU 109 N 1.36 2.47 0.07 2.97 0.05 -0.43 -0.14 118.68 125.03 2vlg s LEU 109 Ca -0.02 -0.90 0.08 0.00 0.05 0.00 0.00 54.13 53.34 2vlg s LEU 109 Cb -0.19 -0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 42.99 2vlg s LEU 109 CO -0.00 -0.00 -0.17 -1.59 -0.55 0.00 0.00 176.35 174.04 2vlg s LYS 110 N -2.95 1.98 0.08 1.48 -2.85 -0.21 -1.49 119.74 115.79 2vlg s LYS 110 Ca 0.19 -1.05 -0.08 0.00 -1.00 0.00 0.00 55.97 54.04 2vlg s LYS 110 Cb -0.06 -2.18 -0.01 0.00 -2.06 0.00 0.00 37.83 33.53 2vlg s LYS 110 CO 0.08 0.52 0.16 0.00 0.10 0.00 0.00 175.35 176.21 2vlg s MET 111 N -1.78 0.80 -0.08 1.78 0.23 0.32 -1.67 119.30 118.90 2vlg s MET 111 Ca 0.17 -0.98 -0.16 0.00 -1.03 0.00 0.00 55.69 53.68 2vlg s MET 111 Cb -0.11 0.32 0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2vlg s MET 111 CO 0.08 -0.24 0.40 -1.59 -2.03 0.00 0.00 175.02 171.64 2vlg s LYS 112 N -3.80 0.62 0.23 3.16 -2.85 -0.12 -0.64 119.74 116.33 2vlg s LYS 112 Ca 0.05 0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.93 2vlg s LYS 112 Cb 0.05 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 2vlg s LYS 112 CO -0.11 -0.14 1.33 0.08 0.10 0.00 0.00 175.35 176.62 2vlg s VAL 113 N -0.58 3.03 -2.00 1.79 1.01 -1.26 -1.56 120.40 120.83 2vlg s VAL 113 Ca -0.07 0.88 0.31 0.00 0.00 0.00 0.00 61.98 63.10 2vlg s VAL 113 Cb -0.04 -3.56 0.89 0.00 0.00 0.00 0.00 36.38 33.67 2vlg s VAL 113 CO 0.03 0.15 2.19 0.18 0.00 0.00 0.00 175.10 177.65