#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 3.43 -0.12 8.00 1.01 -1.26 -5.01 116.67 122.72 2vlg s ASP 16 Ca 0.00 1.98 -0.20 0.00 0.71 0.00 0.00 52.55 55.04 2vlg s ASP 16 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2vlg s ASP 16 CO 0.00 -2.75 0.56 -0.63 0.21 0.00 0.00 175.17 172.57 2vlg s ILE 17 N -2.75 5.12 -0.04 0.77 1.01 -0.20 -4.89 121.20 120.23 2vlg s ILE 17 Ca 0.65 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 62.41 2vlg s ILE 17 Cb -0.21 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2vlg s ILE 17 CO 0.58 0.27 0.05 -1.00 0.00 0.00 0.00 174.94 174.83 2vlg s HIS 18 N 0.87 3.23 0.06 3.97 3.76 -1.26 -0.49 115.29 125.43 2vlg s HIS 18 Ca 0.30 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 55.32 2vlg s HIS 18 Cb -0.16 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.78 2vlg s HIS 18 CO 0.13 0.53 0.19 0.00 -0.85 0.00 0.00 174.74 174.73 2vlg s ALA 19 N -1.07 -0.29 -0.06 -1.40 0.00 -0.58 -1.43 121.76 116.93 2vlg s ALA 19 Ca 0.19 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2vlg s ALA 19 Cb -0.12 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2vlg s ALA 19 CO 0.09 -0.42 -0.15 0.08 0.00 0.00 0.00 175.76 175.36 2vlg s VAL 20 N -3.09 1.31 -0.03 0.00 1.01 0.19 -0.48 120.40 119.31 2vlg s VAL 20 Ca -0.01 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2vlg s VAL 20 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2vlg s VAL 20 CO -0.07 0.39 -0.13 -0.76 0.00 0.00 0.00 175.10 174.53 2vlg s LEU 21 N 0.39 2.82 0.94 3.92 1.43 0.39 0.54 118.68 129.10 2vlg s LEU 21 Ca -0.11 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2vlg s LEU 21 Cb -0.14 -1.60 0.15 0.00 0.03 0.00 0.00 46.19 44.63 2vlg s LEU 21 CO 0.04 0.32 1.09 0.00 0.23 0.00 0.00 176.35 178.03 2vlg s ALA 22 N -0.81 1.27 0.55 4.21 0.00 0.37 -0.84 121.76 126.51 2vlg s ALA 22 Ca 0.13 -0.11 0.23 0.00 0.00 0.00 0.00 51.96 52.21 2vlg s ALA 22 Cb -0.11 -3.19 1.56 0.00 0.00 0.00 0.00 23.12 21.38 2vlg s ALA 22 CO 0.02 -2.58 2.20 0.66 0.00 0.00 0.00 175.76 176.06 2vlg h SER 23 N -1.72 0.00 -0.03 0.00 4.64 -1.88 0.42 113.55 114.99 2vlg h SER 23 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2vlg h SER 23 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2vlg h SER 23 CO 0.54 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 2vlg n ASN 24 N -4.15 0.98 0.00 4.97 0.23 -1.26 -4.91 115.26 111.11 2vlg n ASN 24 Ca -0.03 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 2vlg n ASN 24 Cb 0.09 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 2vlg n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vlg n GLY 25 N 1.09 0.58 3.74 4.83 0.00 0.14 -4.98 105.19 110.60 2vlg n GLY 25 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.00 4.34 -0.27 1.61 3.52 -1.26 -1.43 118.95 124.46 2vlg s ARG 26 Ca 0.00 2.16 -0.29 0.00 -0.13 0.00 0.00 55.73 57.47 2vlg s ARG 26 Cb 0.00 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2vlg s ARG 26 CO 0.00 -0.31 1.30 0.42 -0.81 0.00 0.00 175.30 175.91 2vlg s ILE 27 N -0.04 4.15 -0.03 4.11 1.01 -0.06 -0.48 121.20 129.86 2vlg s ILE 27 Ca 0.57 1.32 -0.11 0.00 0.00 0.00 0.00 60.65 62.44 2vlg s ILE 27 Cb -0.39 -4.11 -0.31 0.00 0.01 0.00 0.00 42.46 37.66 2vlg s ILE 27 CO 0.41 -0.40 0.74 0.40 0.00 0.00 0.00 174.94 176.09 2vlg h ILE 28 N 5.88 1.01 -2.87 2.92 1.08 -0.24 0.88 117.51 126.17 2vlg h ILE 28 Ca -0.26 -2.58 -0.12 0.00 -0.39 0.00 0.00 64.86 61.50 2vlg h ILE 28 Cb 1.10 2.80 -0.23 0.00 -3.07 0.00 0.00 36.82 37.42 2vlg h ILE 28 CO 1.02 0.85 -0.26 -0.47 -0.69 0.00 0.00 178.15 178.59 2vlg s TYR 29 N -2.59 -0.34 -0.02 1.37 5.04 -0.94 -4.75 117.35 115.12 2vlg s TYR 29 Ca -0.14 0.77 -0.09 0.00 -2.44 0.00 0.00 57.07 55.17 2vlg s TYR 29 Cb 0.05 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.51 2vlg s TYR 29 CO 0.87 -0.27 0.19 -1.50 -1.34 0.00 0.00 175.55 173.49 2vlg s ILE 30 N -0.34 0.06 0.72 3.14 2.07 -1.26 -0.64 121.20 124.95 2vlg s ILE 30 Ca -0.05 -0.50 -0.11 0.00 -1.41 0.00 0.00 60.65 58.58 2vlg s ILE 30 Cb -0.03 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.14 2vlg s ILE 30 CO 0.02 -0.27 1.09 -0.94 -1.91 0.00 0.00 174.94 172.93 2vlg s SER 31 N -1.04 5.32 0.28 4.50 1.04 -0.52 -4.80 113.70 118.48 2vlg s SER 31 Ca -0.11 1.19 0.25 0.00 0.48 0.00 0.00 55.95 57.76 2vlg s SER 31 Cb -0.06 -2.00 0.98 0.00 0.10 0.00 0.00 66.02 65.04 2vlg s SER 31 CO 0.02 -1.43 1.75 0.00 0.98 0.00 0.00 173.24 174.56 2vlg h ALA 32 N -0.71 1.00 0.00 5.32 0.00 -1.97 -1.30 119.26 121.60 2vlg h ALA 32 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2vlg h ALA 32 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2vlg h ALA 32 CO 0.63 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.15 2vlg n ASN 33 N -2.35 0.00 0.28 0.00 6.94 -1.26 -2.14 115.26 116.72 2vlg n ASN 33 Ca 0.03 -0.93 0.14 0.00 -0.02 0.00 0.00 54.58 53.79 2vlg n ASN 33 Cb 0.28 0.00 0.84 0.00 -2.36 0.00 0.00 39.78 38.54 2vlg n ASN 33 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2vlg h SER 34 N 0.00 0.00 -0.05 0.53 4.64 -1.46 -2.45 113.55 114.76 2vlg h SER 34 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2vlg h SER 34 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2vlg h SER 34 CO 0.00 0.00 -0.53 0.50 -0.87 0.00 0.00 176.83 175.93 2vlg h LYS 35 N 0.00 0.45 -0.60 4.77 1.63 -0.77 0.18 116.57 122.23 2vlg h LYS 35 Ca 0.01 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2vlg h LYS 35 Cb 0.06 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 2vlg h LYS 35 CO -0.00 1.06 0.39 1.25 -3.45 0.00 0.00 179.45 178.71 2vlg h LEU 36 N -0.02 0.70 0.01 5.20 5.85 -1.72 -1.98 115.31 123.35 2vlg h LEU 36 Ca -0.05 -0.02 -0.34 0.00 0.84 0.00 0.00 57.88 58.31 2vlg h LEU 36 Cb 1.21 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2vlg h LEU 36 CO 0.11 0.51 -2.07 1.41 -0.34 0.00 0.00 178.44 178.06 2vlg n HIS 37 N -4.66 0.57 0.18 1.25 8.25 -0.94 -4.58 115.22 115.28 2vlg n HIS 37 Ca 0.04 0.18 0.02 0.00 -0.26 0.00 0.00 57.72 57.71 2vlg n HIS 37 Cb 0.02 -1.10 -0.01 0.00 1.12 0.00 0.00 29.99 30.03 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 -3.01 0.58 0.00 2.41 4.77 0.57 -5.00 117.00 117.33 2vlg n LEU 38 Ca -0.27 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2vlg n LEU 38 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 2vlg n LEU 38 CO 0.42 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2vlg n GLY 39 N 0.79 1.25 3.53 -0.72 0.00 -0.75 -2.71 105.19 106.59 2vlg n GLY 39 Ca 0.01 0.00 -0.34 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 -3.62 2.89 0.55 1.61 2.02 -1.20 -4.50 117.35 115.10 2vlg s TYR 40 Ca 0.00 -0.11 -0.20 0.00 -0.37 0.00 0.00 57.07 56.39 2vlg s TYR 40 Cb 0.00 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2vlg s TYR 40 CO 0.00 0.21 1.22 -0.51 -1.57 0.00 0.00 175.55 174.90 2vlg s LEU 41 N -0.55 3.79 0.47 -1.29 1.43 -1.26 -1.60 118.68 119.67 2vlg s LEU 41 Ca 0.08 2.42 0.15 0.00 -1.03 0.00 0.00 54.13 55.75 2vlg s LEU 41 Cb -0.12 -4.45 1.14 0.00 0.03 0.00 0.00 46.19 42.79 2vlg s LEU 41 CO 0.02 -1.40 2.06 0.06 0.23 0.00 0.00 176.35 177.32 2vlg h GLN 42 N 1.29 0.23 0.00 1.70 3.07 -1.83 -0.21 115.11 119.36 2vlg h GLN 42 Ca -0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.20 2vlg h GLN 42 Cb 1.28 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.79 2vlg h GLN 42 CO 0.57 0.15 -0.11 0.78 0.09 0.00 0.00 178.83 180.31 2vlg h GLY 43 N 0.23 0.00 2.00 0.06 0.00 -1.91 -0.72 103.07 102.74 2vlg h GLY 43 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2vlg h GLY 43 CO -0.03 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.34 2vlg h GLU 44 N 0.00 0.00 0.00 4.80 5.08 -1.39 -3.36 114.58 119.71 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 0.88 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2vlg h GLU 44 CO 0.01 0.00 -2.08 -1.33 -1.00 0.00 0.00 179.01 174.61 2vlg n MET 45 N -2.82 0.46 -1.64 2.33 2.81 -0.96 -4.82 117.12 112.48 2vlg n MET 45 Ca 0.02 0.13 -0.50 0.00 -1.81 0.00 0.00 57.70 55.54 2vlg n MET 45 Cb 0.34 -1.33 -0.05 0.00 -0.71 0.00 0.00 33.22 31.47 2vlg n MET 45 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2vlg n ILE 46 N -3.29 0.10 0.00 2.02 5.41 -0.32 -1.48 119.36 121.80 2vlg n ILE 46 Ca -0.35 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2vlg n ILE 46 Cb 0.83 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 2vlg n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2vlg n GLY 47 N 3.24 3.32 3.93 7.39 0.00 0.30 -4.94 105.19 118.43 2vlg n GLY 47 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.46 6.22 0.20 1.61 0.01 -0.55 -4.78 113.70 115.94 2vlg s SER 48 Ca 0.00 0.63 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 2vlg s SER 48 Cb 0.00 -2.06 -0.08 0.00 0.21 0.00 0.00 66.02 64.08 2vlg s SER 48 CO 0.00 -0.46 0.81 -0.36 0.41 0.00 0.00 173.24 173.64 2vlg s PHE 49 N -2.52 3.89 0.24 2.43 0.08 -1.26 -0.89 117.98 119.95 2vlg s PHE 49 Ca 0.44 1.67 -0.04 0.00 0.12 0.00 0.00 56.93 59.12 2vlg s PHE 49 Cb -0.10 -2.80 0.38 0.00 -0.57 0.00 0.00 43.02 39.93 2vlg s PHE 49 CO 0.40 0.47 1.82 1.25 -0.10 0.00 0.00 175.22 179.06 2vlg h LEU 50 N 4.13 0.71 -1.97 -0.37 5.85 -1.58 -1.75 115.31 120.32 2vlg h LEU 50 Ca -0.47 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.47 2vlg h LEU 50 Cb 1.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2vlg h LEU 50 CO 0.66 0.42 0.52 0.11 -0.34 0.00 0.00 178.44 179.80 2vlg h LYS 51 N 0.83 0.00 0.00 1.25 1.57 -1.93 -1.50 116.57 116.80 2vlg h LYS 51 Ca 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2vlg h LYS 51 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2vlg h LYS 51 CO -0.23 0.00 -0.03 1.15 -0.57 0.00 0.00 179.45 179.76 2vlg h THR 52 N 0.00 0.38 -0.17 -0.16 2.02 -1.71 -1.44 112.91 111.83 2vlg h THR 52 Ca 0.29 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2vlg h THR 52 Cb 1.32 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2vlg h THR 52 CO -0.00 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.41 2vlg n PHE 53 N -3.56 0.19 -3.77 3.16 3.72 -0.56 -4.96 117.46 111.68 2vlg n PHE 53 Ca -0.02 -0.11 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 2vlg n PHE 53 Cb 0.14 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.64 4.34 0.21 4.37 1.02 -0.54 0.90 118.68 127.34 2vlg s LEU 54 Ca 0.30 0.50 -0.31 0.00 0.02 0.00 0.00 54.13 54.64 2vlg s LEU 54 Cb 0.19 -2.89 -0.15 0.00 0.02 0.00 0.00 46.19 43.36 2vlg s LEU 54 CO 0.28 0.19 1.03 1.57 0.02 0.00 0.00 176.35 179.44 2vlg n HIS 55 N 0.68 1.06 -0.34 0.29 -0.00 -0.73 -4.73 115.22 111.45 2vlg n HIS 55 Ca -0.08 0.73 0.19 0.00 -0.00 0.00 0.00 57.72 58.57 2vlg n HIS 55 Cb 0.52 -2.23 0.41 0.00 -0.00 0.00 0.00 29.99 28.70 2vlg n HIS 55 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2vlg h GLU 56 N 2.59 0.46 0.00 1.57 4.39 -1.92 0.27 114.58 121.94 2vlg h GLU 56 Ca -0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2vlg h GLU 56 Cb 1.36 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2vlg h GLU 56 CO 0.65 0.31 0.00 0.39 -1.16 0.00 0.00 179.01 179.20 2vlg n GLU 57 N -4.96 0.21 -0.01 2.33 1.02 -1.26 -3.22 120.64 114.76 2vlg n GLU 57 Ca 0.28 0.29 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 2vlg n GLU 57 Cb 0.82 -1.81 -0.16 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.19 0.12 0.30 1.62 8.00 0.92 -4.42 116.55 120.91 2vlg n ASP 58 Ca 0.04 -0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 2vlg n ASP 58 Cb 0.34 1.87 -0.09 0.00 -0.02 0.00 0.00 41.12 43.22 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 0.00 -0.70 -0.15 -1.24 4.20 -1.44 -0.98 115.11 114.79 2vlg h GLN 59 Ca 0.00 0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 2vlg h GLN 59 Cb 0.94 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2vlg h GLN 59 CO 0.00 -0.45 -0.70 0.35 -0.67 0.00 0.00 178.83 177.36 2vlg h PHE 60 N -0.76 0.86 -0.87 2.96 3.57 -1.82 -3.29 116.94 117.59 2vlg h PHE 60 Ca -0.07 -0.36 0.07 0.00 3.53 0.00 0.00 57.97 61.14 2vlg h PHE 60 Cb 0.57 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 2vlg h PHE 60 CO -0.03 1.15 0.54 1.25 -2.23 0.00 0.00 178.31 178.99 2vlg h LEU 61 N 0.46 0.84 -2.35 0.59 5.85 -1.75 -2.41 115.31 116.54 2vlg h LEU 61 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2vlg h LEU 61 Cb 1.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2vlg h LEU 61 CO 0.14 0.53 -0.03 1.62 -0.34 0.00 0.00 178.44 180.36 2vlg h VAL 62 N 0.97 0.54 -0.53 1.05 3.04 -1.24 0.54 116.25 120.62 2vlg h VAL 62 Ca 0.39 -0.12 0.09 0.00 -1.01 0.00 0.00 66.70 66.04 2vlg h VAL 62 Cb 0.20 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.53 2vlg h VAL 62 CO -0.18 0.03 0.36 -0.33 -1.01 0.00 0.00 177.57 176.43 2vlg h GLU 63 N 0.00 0.34 0.00 4.17 5.08 -1.60 -2.50 114.58 120.07 2vlg h GLU 63 Ca -0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2vlg h GLU 63 Cb 0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vlg h GLU 63 CO 0.00 0.23 -0.12 0.77 -1.00 0.00 0.00 179.01 178.89 2vlg h SER 64 N 0.35 0.00 -0.98 1.42 0.02 -0.05 -0.99 113.55 113.33 2vlg h SER 64 Ca 0.24 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 2vlg h SER 64 Cb 0.50 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 2vlg h SER 64 CO -0.06 0.12 0.63 0.22 -1.14 0.00 0.00 176.83 176.60 2vlg h TYR 65 N 0.00 1.13 -0.00 3.45 3.20 -1.57 -2.38 116.97 120.80 2vlg h TYR 65 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2vlg h TYR 65 Cb 0.24 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2vlg h TYR 65 CO 0.00 0.54 -0.17 1.19 -1.64 0.00 0.00 178.16 178.08 2vlg n PHE 66 N -4.53 0.00 0.08 -3.82 3.72 -0.38 -3.35 117.46 109.18 2vlg n PHE 66 Ca 0.16 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 2vlg n PHE 66 Cb 0.25 -0.24 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 2vlg n PHE 66 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2vlg n TYR 67 N -1.12 0.27 -4.40 1.38 9.36 -0.92 -4.96 117.16 116.78 2vlg n TYR 67 Ca 0.11 0.08 -0.25 0.00 3.32 0.00 0.00 57.90 61.16 2vlg n TYR 67 Cb 0.30 -0.61 -0.09 0.00 -0.63 0.00 0.00 39.34 38.32 2vlg n TYR 67 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2vlg s ASN 68 N -4.67 4.04 0.44 2.98 0.01 -1.10 -5.08 114.94 111.57 2vlg s ASN 68 Ca -0.05 -1.07 -0.25 0.00 -0.71 0.00 0.00 52.86 50.78 2vlg s ASN 68 Cb 0.13 -0.47 -0.09 0.00 0.41 0.00 0.00 41.25 41.23 2vlg s ASN 68 CO 0.87 -0.24 1.38 1.21 -1.51 0.00 0.00 177.10 178.81 2vlg n GLU 69 N -0.91 2.14 -2.19 -0.60 0.00 -1.26 -4.91 120.64 112.91 2vlg n GLU 69 Ca -0.04 0.76 -0.02 0.00 0.00 0.00 0.00 57.16 57.86 2vlg n GLU 69 Cb 0.63 -2.55 0.05 0.00 0.00 0.00 0.00 31.44 29.56 2vlg n GLU 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2vlg n HIS 70 N -0.23 -0.47 -2.03 4.31 1.44 -1.26 -5.02 115.22 111.96 2vlg n HIS 70 Ca 0.06 -1.39 -0.42 0.00 -2.01 0.00 0.00 57.72 53.96 2vlg n HIS 70 Cb 0.41 0.63 -0.03 0.00 0.12 0.00 0.00 29.99 31.12 2vlg n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2vlg s HIS 71 N -0.94 2.51 -0.94 -1.40 5.04 -1.26 -2.00 115.29 116.31 2vlg s HIS 71 Ca 0.15 0.46 0.00 0.00 -1.54 0.00 0.00 55.06 54.13 2vlg s HIS 71 Cb 0.31 -3.87 0.00 0.00 0.04 0.00 0.00 32.58 29.06 2vlg s HIS 71 CO -0.08 -3.43 0.00 1.28 -2.34 0.00 0.00 174.74 170.17 2vlg n LEU 72 N 5.68 -0.40 -4.70 8.88 4.77 -1.26 -4.94 117.00 125.03 2vlg n LEU 72 Ca 0.15 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 2vlg n LEU 72 Cb 0.42 -2.01 -0.04 0.00 -2.33 0.00 0.00 43.42 39.46 2vlg n LEU 72 CO 0.61 -0.71 0.52 -0.32 -1.33 0.00 0.00 177.39 176.16 2vlg s MET 73 N -2.51 4.44 0.25 3.23 1.75 -0.84 -5.02 119.30 120.58 2vlg s MET 73 Ca 0.00 1.06 -0.30 0.00 -1.25 0.00 0.00 55.69 55.19 2vlg s MET 73 Cb 0.00 -3.48 -0.11 0.00 2.84 0.00 0.00 34.83 34.08 2vlg s MET 73 CO 0.00 -0.06 1.55 -1.25 -0.65 0.00 0.00 175.02 174.62 2vlg s PRO 74 N 1.18 4.19 -0.53 4.11 0.04 -1.26 -4.69 135.00 138.03 2vlg s PRO 74 Ca 0.42 2.45 -0.18 0.00 0.04 0.00 0.00 61.00 63.72 2vlg s PRO 74 Cb -0.18 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.35 2vlg s PRO 74 CO 0.19 -0.57 0.60 0.00 0.04 0.00 0.00 177.00 177.26 2vlg s THR 76 N 2.43 3.06 0.16 0.00 2.01 -1.26 -1.05 115.64 121.00 2vlg s THR 76 Ca 0.12 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 2vlg s THR 76 Cb -0.22 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.06 2vlg s THR 76 CO 0.09 0.54 0.47 0.72 -0.69 0.00 0.00 174.62 175.75 2vlg s PHE 77 N 0.05 -0.19 -0.21 4.92 -0.12 -0.54 -4.98 117.98 116.90 2vlg s PHE 77 Ca -0.05 -0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 56.51 2vlg s PHE 77 Cb -0.14 0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2vlg s PHE 77 CO 0.04 -0.81 0.58 1.03 -0.05 0.00 0.00 175.22 176.02 2vlg s ARG 78 N -3.83 4.18 -0.13 1.99 0.52 -1.26 -0.62 118.95 119.79 2vlg s ARG 78 Ca 0.06 0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 55.72 2vlg s ARG 78 Cb 0.00 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2vlg s ARG 78 CO -0.08 -0.25 0.08 0.12 0.02 0.00 0.00 175.30 175.19 2vlg s PHE 79 N 1.95 3.37 -0.30 -0.53 5.36 0.38 -1.78 117.98 126.43 2vlg s PHE 79 Ca 0.26 0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 56.37 2vlg s PHE 79 Cb -0.16 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 2vlg s PHE 79 CO 0.10 0.48 0.42 0.42 -1.46 0.00 0.00 175.22 175.18 2vlg s ILE 80 N -0.54 5.12 1.07 3.12 1.01 0.26 -1.70 121.20 129.53 2vlg s ILE 80 Ca 0.11 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 2vlg s ILE 80 Cb -0.12 -3.80 0.22 0.00 0.01 0.00 0.00 42.46 38.77 2vlg s ILE 80 CO 0.02 0.01 1.12 -0.54 0.00 0.00 0.00 174.94 175.55 2vlg s LYS 81 N 2.17 -0.12 0.42 2.79 1.02 0.39 -4.85 119.74 121.56 2vlg s LYS 81 Ca 0.16 0.20 0.09 0.00 0.02 0.00 0.00 55.97 56.44 2vlg s LYS 81 Cb -0.16 -1.70 0.91 0.00 -0.52 0.00 0.00 37.83 36.36 2vlg s LYS 81 CO 0.11 -3.03 2.04 -0.22 -0.92 0.00 0.00 175.35 173.33 2vlg h LYS 82 N -2.10 0.39 0.00 1.68 3.64 -1.74 -0.53 116.57 117.91 2vlg h LYS 82 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2vlg h LYS 82 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2vlg h LYS 82 CO 0.49 0.30 0.00 -0.40 -2.27 0.00 0.00 179.45 177.57 2vlg n ASP 83 N -4.44 0.00 0.00 4.20 5.68 -1.26 -4.84 116.55 115.88 2vlg n ASP 83 Ca 0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2vlg n ASP 83 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.52 0.00 -3.57 2.11 8.25 -0.21 -5.02 115.22 116.27 2vlg n HIS 84 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 2vlg n HIS 84 Cb 0.00 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 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 -2.03 5.14 0.05 1.59 -4.23 -1.26 -4.77 115.64 110.13 2vlg s THR 85 Ca 0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.16 2vlg s THR 85 Cb 0.00 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 2vlg s THR 85 CO 0.00 -0.26 0.35 0.27 -0.54 0.00 0.00 174.62 174.44 2vlg s ILE 86 N -1.98 5.18 0.09 2.99 -5.25 -1.26 -0.46 121.20 120.52 2vlg s ILE 86 Ca 0.40 0.32 0.08 0.00 -0.99 0.00 0.00 60.65 60.46 2vlg s ILE 86 Cb -0.11 -3.61 -0.03 0.00 2.95 0.00 0.00 42.46 41.65 2vlg s ILE 86 CO 0.30 0.31 -0.20 0.68 -1.79 0.00 0.00 174.94 174.24 2vlg s VAL 87 N -1.36 1.65 0.01 8.37 -7.23 -0.69 -4.96 120.40 116.19 2vlg s VAL 87 Ca 0.31 -1.48 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 2vlg s VAL 87 Cb -0.14 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 2vlg s VAL 87 CO 0.18 -0.04 0.69 0.26 -0.31 0.00 0.00 175.10 175.87 2vlg s TRP 88 N -1.13 3.69 -0.13 2.82 0.52 -1.26 -0.47 118.94 122.98 2vlg s TRP 88 Ca 0.06 1.32 0.03 0.00 0.02 0.00 0.00 56.10 57.53 2vlg s TRP 88 Cb -0.10 -2.73 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 2vlg s TRP 88 CO 0.04 0.27 -0.22 0.08 0.02 0.00 0.00 176.95 177.14 2vlg s VAL 89 N 0.03 2.10 -0.26 4.03 1.01 0.21 -0.38 120.40 127.14 2vlg s VAL 89 Ca 0.35 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 2vlg s VAL 89 Cb -0.19 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2vlg s VAL 89 CO 0.20 0.55 0.12 -0.70 0.00 0.00 0.00 175.10 175.27 2vlg s GLU 90 N 0.71 3.78 -0.07 2.72 2.12 -0.04 -1.47 118.70 126.45 2vlg s GLU 90 Ca -0.10 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 54.86 2vlg s GLU 90 Cb -0.16 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 2vlg s GLU 90 CO 0.01 -0.18 -0.17 0.00 -0.54 0.00 0.00 175.26 174.37 2vlg s ALA 91 N 1.66 2.50 -0.04 6.30 0.00 -0.21 -1.72 121.76 130.24 2vlg s ALA 91 Ca 0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2vlg s ALA 91 Cb -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2vlg s ALA 91 CO 0.07 0.44 0.46 0.00 0.00 0.00 0.00 175.76 176.73 2vlg s ALA 92 N -0.31 3.58 -0.04 0.00 0.00 0.30 -0.98 121.76 124.31 2vlg s ALA 92 Ca 0.02 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.87 2vlg s ALA 92 Cb -0.13 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 2vlg s ALA 92 CO 0.02 0.26 -0.21 0.08 0.00 0.00 0.00 175.76 175.91 2vlg s VAL 93 N -0.34 1.74 -0.02 0.00 1.01 -1.26 -1.07 120.40 120.46 2vlg s VAL 93 Ca 0.25 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2vlg s VAL 93 Cb -0.16 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2vlg s VAL 93 CO 0.13 0.49 -0.08 -0.70 0.00 0.00 0.00 175.10 174.94 2vlg s GLU 94 N -0.18 0.87 -0.19 2.72 2.12 -0.35 -4.92 118.70 118.77 2vlg s GLU 94 Ca -0.01 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 54.98 2vlg s GLU 94 Cb -0.12 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 2vlg s GLU 94 CO 0.02 0.11 0.04 0.42 -0.54 0.00 0.00 175.26 175.31 2vlg s ILE 95 N 0.15 4.46 -0.34 -3.70 1.01 -1.26 -0.45 121.20 121.07 2vlg s ILE 95 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 2vlg s ILE 95 Cb -0.08 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2vlg s ILE 95 CO 0.00 0.45 0.35 -0.69 0.00 0.00 0.00 174.94 175.05 2vlg s VAL 96 N 0.58 5.18 -0.21 2.92 1.01 -0.30 -4.96 120.40 124.63 2vlg s VAL 96 Ca 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2vlg s VAL 96 Cb -0.13 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2vlg s VAL 96 CO 0.02 -0.06 -0.01 -0.89 0.00 0.00 0.00 175.10 174.15 2vlg s THR 97 N 2.00 3.84 -0.17 3.92 2.01 -1.26 -1.27 115.64 124.70 2vlg s THR 97 Ca 0.11 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2vlg s THR 97 Cb -0.17 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.64 2vlg s THR 97 CO 0.11 0.42 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.46 2vlg s THR 98 N 1.11 1.55 -0.34 -0.82 2.01 0.55 -4.96 115.64 114.75 2vlg s THR 98 Ca 0.02 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 2vlg s THR 98 Cb -0.14 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2vlg s THR 98 CO 0.01 0.30 0.11 -0.13 -0.69 0.00 0.00 174.62 174.23 2vlg s ARG 99 N 1.46 2.73 0.00 4.92 0.52 -1.26 -0.31 118.95 127.01 2vlg s ARG 99 Ca 0.02 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2vlg s ARG 99 Cb -0.15 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 31.84 2vlg s ARG 99 CO -0.09 -0.63 0.00 0.00 0.02 0.00 0.00 175.30 174.60 2vlg n ALA 100 N 4.85 0.00 -0.15 2.13 0.00 -1.26 -4.94 120.51 121.14 2vlg n ALA 100 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2vlg n ALA 100 Cb 0.45 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.19 2vlg n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2vlg h GLU 101 N 0.00 0.85 -5.20 0.00 4.39 -2.07 -3.44 114.58 109.11 2vlg h GLU 101 Ca 0.00 -0.06 -0.51 0.00 0.34 0.00 0.00 59.36 59.13 2vlg h GLU 101 Cb 0.00 -0.19 -0.14 0.00 -0.10 0.00 0.00 28.75 28.33 2vlg h GLU 101 CO 0.00 0.58 -0.58 0.50 -1.16 0.00 0.00 179.01 178.35 2vlg s ARG 102 N -5.70 1.75 -0.14 2.33 3.52 -1.26 -5.14 118.95 114.31 2vlg s ARG 102 Ca -0.10 -2.01 -0.04 0.00 -0.13 0.00 0.00 55.73 53.45 2vlg s ARG 102 Cb 0.17 -0.88 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 2vlg s ARG 102 CO 0.77 -0.25 0.01 0.99 -0.81 0.00 0.00 175.30 176.00 2vlg s THR 103 N -3.23 4.31 -0.03 4.11 2.01 -1.26 -4.30 115.64 117.24 2vlg s THR 103 Ca 0.32 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2vlg s THR 103 Cb 0.07 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 2vlg s THR 103 CO 0.15 0.52 -0.24 -0.70 -0.69 0.00 0.00 174.62 173.66 2vlg s GLU 104 N -0.05 2.24 -0.05 4.92 2.12 0.57 -4.95 118.70 123.50 2vlg s GLU 104 Ca 0.04 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.52 2vlg s GLU 104 Cb -0.13 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.15 2vlg s GLU 104 CO 0.02 0.54 -0.20 1.03 -0.54 0.00 0.00 175.26 176.11 2vlg s ARG 105 N -0.55 2.04 0.01 4.30 0.52 -1.26 -0.33 118.95 123.68 2vlg s ARG 105 Ca 0.08 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2vlg s ARG 105 Cb -0.11 -1.76 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 2vlg s ARG 105 CO -0.00 0.30 -0.18 -1.21 0.02 0.00 0.00 175.30 174.23 2vlg s GLU 106 N -0.06 1.35 -0.22 3.54 2.02 -0.40 -3.16 118.70 121.77 2vlg s GLU 106 Ca -0.03 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2vlg s GLU 106 Cb -0.12 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 2vlg s GLU 106 CO 0.03 0.36 0.08 0.42 0.02 0.00 0.00 175.26 176.17 2vlg s ILE 107 N -0.59 4.64 -0.19 -1.63 1.01 -0.02 -1.14 121.20 123.27 2vlg s ILE 107 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 2vlg s ILE 107 Cb -0.08 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2vlg s ILE 107 CO 0.00 0.38 0.02 -0.63 0.00 0.00 0.00 174.94 174.72 2vlg s ILE 108 N 1.08 4.28 -0.03 2.92 -1.09 0.41 -0.46 121.20 128.30 2vlg s ILE 108 Ca 0.05 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.31 2vlg s ILE 108 Cb -0.14 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 2vlg s ILE 108 CO 0.03 0.44 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.25 2vlg s LEU 109 N 0.69 2.52 -0.19 2.97 1.43 0.37 -1.21 118.68 125.25 2vlg s LEU 109 Ca 0.01 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2vlg s LEU 109 Cb -0.14 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.63 2vlg s LEU 109 CO 0.02 0.33 -0.11 -0.75 0.23 0.00 0.00 176.35 176.07 2vlg s LYS 110 N -0.75 2.07 0.23 1.70 2.20 -0.23 -1.52 119.74 123.43 2vlg s LYS 110 Ca 0.11 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 2vlg s LYS 110 Cb -0.10 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2vlg s LYS 110 CO 0.00 -0.40 0.06 0.00 -0.36 0.00 0.00 175.35 174.65 2vlg s MET 111 N 1.41 1.30 -0.10 4.03 0.23 0.35 -0.54 119.30 125.99 2vlg s MET 111 Ca -0.00 -1.68 -0.16 0.00 -1.03 0.00 0.00 55.69 52.82 2vlg s MET 111 Cb -0.16 -0.28 0.04 0.00 -1.53 0.00 0.00 34.83 32.90 2vlg s MET 111 CO -0.09 -0.23 0.39 -1.59 -2.03 0.00 0.00 175.02 171.48 2vlg s LYS 112 N -3.98 0.58 0.11 3.16 -2.85 -0.70 -1.04 119.74 115.02 2vlg s LYS 112 Ca 0.33 0.30 -0.31 0.00 -1.00 0.00 0.00 55.97 55.28 2vlg s LYS 112 Cb 0.07 0.27 -0.08 0.00 -2.06 0.00 0.00 37.83 36.03 2vlg s LYS 112 CO 0.10 -0.12 1.39 0.08 0.10 0.00 0.00 175.35 176.90 2vlg s VAL 113 N -0.38 3.34 -0.18 1.79 1.01 -1.26 -0.87 120.40 123.85 2vlg s VAL 113 Ca -0.05 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 2vlg s VAL 113 Cb -0.03 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2vlg s VAL 113 CO 0.02 0.07 1.16 -0.76 0.00 0.00 0.00 175.10 175.60 2vlg s LEU 114 N 1.21 4.16 0.27 3.92 1.43 0.49 -4.94 118.68 125.22 2vlg s LEU 114 Ca 0.65 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2vlg s LEU 114 Cb -0.36 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2vlg s LEU 114 CO 0.30 -0.70 0.23 -1.61 0.23 0.00 0.00 176.35 174.80 2vlg s GLU 115 N 3.23 1.51 0.00 1.70 2.02 -1.26 -4.62 118.70 121.28 2vlg s GLU 115 Ca 0.50 -1.81 0.20 0.00 0.02 0.00 0.00 54.97 53.89 2vlg s GLU 115 Cb -0.19 0.31 1.18 0.00 0.10 0.00 0.00 34.13 35.53 2vlg s GLU 115 CO 0.12 -0.54 1.57 0.39 0.02 0.00 0.00 175.26 176.82