#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvg s LEU 2 N 0.00 0.72 0.37 -2.12 1.43 0.68 -4.93 118.68 114.83 3jvg s LEU 2 Ca 0.00 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 3jvg s LEU 2 Cb 0.00 -0.21 -0.09 0.00 0.03 0.00 0.00 46.19 45.92 3jvg s LEU 2 CO 0.00 -0.17 1.11 0.28 0.23 0.00 0.00 176.35 177.80 3jvg s THR 3 N 1.56 3.43 0.35 5.49 -1.32 -1.26 -2.05 115.64 121.84 3jvg s THR 3 Ca -0.02 1.22 -0.27 0.00 -1.21 0.00 0.00 61.69 61.40 3jvg s THR 3 Cb -0.13 -3.69 -0.09 0.00 -1.51 0.00 0.00 72.50 67.08 3jvg s THR 3 CO -0.03 0.12 1.21 -2.16 -2.21 0.00 0.00 174.62 171.56 3jvg s PRO 4 N -2.16 4.28 -0.19 7.08 0.04 -1.26 -4.38 135.00 138.41 3jvg s PRO 4 Ca 0.54 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 3jvg s PRO 4 Cb -0.28 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3jvg s PRO 4 CO 0.35 -0.17 0.05 0.15 0.04 0.00 0.00 177.00 177.43 3jvg s LYS 5 N -1.93 3.92 -0.05 4.56 1.02 0.50 -4.88 119.74 122.88 3jvg s LYS 5 Ca 0.51 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.17 3jvg s LYS 5 Cb -0.35 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3jvg s LYS 5 CO 0.45 0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 175.03 3jvg s VAL 6 N 0.48 1.34 -0.03 3.17 1.01 -1.26 -0.61 120.40 124.49 3jvg s VAL 6 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3jvg s VAL 6 Cb -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3jvg s VAL 6 CO 0.01 0.39 -0.19 -1.10 0.00 0.00 0.00 175.10 174.21 3jvg s GLN 7 N 0.24 1.76 -0.09 2.72 -1.52 -0.47 -4.99 119.66 117.30 3jvg s GLN 7 Ca -0.08 -0.68 0.03 0.00 -1.95 0.00 0.00 55.36 52.68 3jvg s GLN 7 Cb -0.13 -1.60 0.00 0.00 -0.22 0.00 0.00 33.01 31.06 3jvg s GLN 7 CO 0.03 0.35 -0.20 0.08 -0.25 0.00 0.00 175.29 175.30 3jvg s VAL 8 N -0.24 1.75 0.10 1.09 1.01 -1.26 -1.19 120.40 121.66 3jvg s VAL 8 Ca 0.02 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3jvg s VAL 8 Cb -0.10 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.83 3jvg s VAL 8 CO 0.01 0.49 0.77 -0.72 0.00 0.00 0.00 175.10 175.65 3jvg s TYR 9 N 0.45 -0.38 0.25 5.22 1.13 -0.61 -4.67 117.35 118.73 3jvg s TYR 9 Ca -0.17 0.18 0.06 0.00 -1.41 0.00 0.00 57.07 55.72 3jvg s TYR 9 Cb -0.17 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 3jvg s TYR 9 CO 0.07 -0.75 0.29 -1.54 -2.51 0.00 0.00 175.55 171.12 3jvg s SER 10 N -2.67 5.97 0.11 -0.18 1.04 -0.97 -0.74 113.70 116.27 3jvg s SER 10 Ca 0.05 -0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.22 3jvg s SER 10 Cb -0.01 -1.65 -0.05 0.00 0.10 0.00 0.00 66.02 64.40 3jvg s SER 10 CO -0.08 -0.07 1.69 -0.09 0.98 0.00 0.00 173.24 175.67 3jvg h ARG 11 N 1.30 0.38 -6.53 4.02 9.65 -1.56 -3.44 114.38 118.21 3jvg h ARG 11 Ca -0.50 -0.05 -0.64 0.00 -1.10 0.00 0.00 59.98 57.69 3jvg h ARG 11 Cb 1.23 -0.07 -0.19 0.00 -1.39 0.00 0.00 29.97 29.55 3jvg h ARG 11 CO 0.61 0.37 -0.82 -0.06 2.80 0.00 0.00 179.97 182.86 3jvg s PHE 12 N -5.74 2.21 -0.45 2.20 0.40 -1.26 -5.05 117.98 110.29 3jvg s PHE 12 Ca -0.13 -0.38 -0.44 0.00 -0.60 0.00 0.00 56.93 55.37 3jvg s PHE 12 Cb 0.09 -1.11 -0.18 0.00 0.51 0.00 0.00 43.02 42.32 3jvg s PHE 12 CO 0.72 0.44 1.78 -2.30 0.70 0.00 0.00 175.22 176.55 3jvg n PRO 13 N 0.40 0.29 -2.36 0.24 -0.02 -1.26 -4.88 135.00 127.41 3jvg n PRO 13 Ca -0.14 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 3jvg n PRO 13 Cb 0.56 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.35 3jvg n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jvg s ALA 14 N 3.98 2.84 -0.16 3.55 0.00 -1.26 -5.06 121.76 125.65 3jvg s ALA 14 Ca 1.07 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.71 3jvg s ALA 14 Cb -1.38 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 18.46 3jvg s ALA 14 CO 0.74 -0.58 0.39 0.45 0.00 0.00 0.00 175.76 176.76 3jvg s SER 15 N -1.71 -0.46 0.15 0.00 0.15 -1.26 -5.06 113.70 105.52 3jvg s SER 15 Ca 0.68 0.83 -0.34 0.00 0.70 0.00 0.00 55.95 57.82 3jvg s SER 15 Cb -0.23 0.76 -0.14 0.00 -1.71 0.00 0.00 66.02 64.70 3jvg s SER 15 CO 0.27 -0.17 1.59 0.00 1.20 0.00 0.00 173.24 176.13 3jvg n ALA 16 N 3.71 1.37 -0.91 5.45 0.00 -1.26 -1.41 120.51 127.46 3jvg n ALA 16 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3jvg n ALA 16 Cb 0.56 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3jvg n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvg n GLY 17 N 3.45 0.85 3.57 0.00 0.00 -0.10 -5.02 105.19 107.95 3jvg n GLY 17 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3jvg n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jvg s THR 18 N -3.52 4.42 0.55 2.61 2.01 -0.50 -4.98 115.64 116.22 3jvg s THR 18 Ca 0.00 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 3jvg s THR 18 Cb 0.00 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3jvg s THR 18 CO 0.00 0.47 1.35 -0.54 -0.69 0.00 0.00 174.62 175.20 3jvg s LYS 19 N 0.44 3.15 0.00 4.92 1.02 -1.26 -4.34 119.74 123.66 3jvg s LYS 19 Ca 0.00 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3jvg s LYS 19 Cb -0.13 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3jvg s LYS 19 CO 0.01 -1.18 0.00 -1.71 -0.92 0.00 0.00 175.35 171.56 3jvg n ASN 20 N -1.04 0.00 -3.83 2.83 2.85 0.93 -4.98 115.26 112.02 3jvg n ASN 20 Ca 0.10 -0.85 -0.15 0.00 -0.11 0.00 0.00 54.58 53.57 3jvg n ASN 20 Cb 0.45 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.32 3jvg n ASN 20 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3jvg s VAL 21 N -2.92 0.09 -0.15 3.44 1.01 -1.26 -1.35 120.40 119.25 3jvg s VAL 21 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 3jvg s VAL 21 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 3jvg s VAL 21 CO 0.00 0.09 0.16 -0.22 0.00 0.00 0.00 175.10 175.13 3jvg s LEU 22 N 0.70 4.30 -0.06 3.92 2.96 0.93 -1.35 118.68 130.09 3jvg s LEU 22 Ca -0.06 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 3jvg s LEU 22 Cb -0.09 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3jvg s LEU 22 CO -0.02 0.28 -0.19 0.20 -1.32 0.00 0.00 176.35 175.31 3jvg s ASN 23 N -0.32 2.38 -0.14 3.68 0.01 0.08 -1.03 114.94 119.60 3jvg s ASN 23 Ca 0.12 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 3jvg s ASN 23 Cb -0.12 -0.78 0.02 0.00 0.41 0.00 0.00 41.25 40.78 3jvg s ASN 23 CO 0.02 0.15 -0.12 0.00 -1.51 0.00 0.00 177.10 175.64 3jvg s PHE 25 N 1.54 3.04 -0.15 0.00 5.36 -0.33 -1.06 117.98 126.38 3jvg s PHE 25 Ca 0.05 -1.46 -0.06 0.00 -0.96 0.00 0.00 56.93 54.49 3jvg s PHE 25 Cb -0.13 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 3jvg s PHE 25 CO -0.10 -0.71 0.07 0.00 -1.46 0.00 0.00 175.22 173.02 3jvg s ALA 26 N 1.35 3.50 0.22 11.12 0.00 -0.37 -1.37 121.76 136.21 3jvg s ALA 26 Ca 0.01 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3jvg s ALA 26 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 3jvg s ALA 26 CO -0.05 0.35 0.39 0.00 0.00 0.00 0.00 175.76 176.45 3jvg s ALA 27 N -0.17 -0.04 -0.71 0.00 0.00 0.22 -1.02 121.76 120.04 3jvg s ALA 27 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3jvg s ALA 27 Cb -0.12 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.05 3jvg s ALA 27 CO 0.01 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3jvg n GLY 28 N -0.33 0.89 3.85 0.00 0.00 -0.72 -0.37 105.19 108.51 3jvg n GLY 28 Ca -0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 3jvg n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3jvg s PHE 29 N -2.24 3.09 -0.29 1.61 -0.71 -1.05 -4.55 117.98 113.85 3jvg s PHE 29 Ca 0.00 -0.15 -0.15 0.00 -1.04 0.00 0.00 56.93 55.59 3jvg s PHE 29 Cb 0.00 -1.51 0.11 0.00 -1.21 0.00 0.00 43.02 40.41 3jvg s PHE 29 CO 0.00 0.43 0.79 -1.58 -1.34 0.00 0.00 175.22 173.52 3jvg s HIS 30 N -2.16 -0.93 0.97 3.49 2.46 -0.87 -1.05 115.29 117.20 3jvg s HIS 30 Ca 0.35 1.81 -0.12 0.00 0.47 0.00 0.00 55.06 57.56 3jvg s HIS 30 Cb -0.08 0.56 0.17 0.00 -0.13 0.00 0.00 32.58 33.10 3jvg s HIS 30 CO 0.26 -0.46 1.11 -1.25 -2.47 0.00 0.00 174.74 171.93 3jvg s PRO 31 N 1.75 0.69 0.42 2.88 0.04 -1.26 -0.23 135.00 139.28 3jvg s PRO 31 Ca -0.09 0.40 0.29 0.00 0.04 0.00 0.00 61.00 61.64 3jvg s PRO 31 Cb -0.05 -1.78 1.07 0.00 0.04 0.00 0.00 34.50 33.78 3jvg s PRO 31 CO -0.18 -2.53 1.84 -1.00 0.04 0.00 0.00 177.00 175.17 3jvg h PRO 32 N -1.74 0.00 -6.44 0.56 0.13 -1.99 -3.45 132.00 119.07 3jvg h PRO 32 Ca -0.53 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 3jvg h PRO 32 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 3jvg h PRO 32 CO 0.60 0.00 0.89 0.21 -0.23 0.00 0.00 178.00 179.47 3jvg s LYS 33 N -3.46 4.25 -0.08 0.86 2.20 -1.26 -4.95 119.74 117.29 3jvg s LYS 33 Ca 0.04 2.17 -0.31 0.00 -0.36 0.00 0.00 55.97 57.51 3jvg s LYS 33 Cb 0.09 -3.51 0.08 0.00 -1.51 0.00 0.00 37.83 32.98 3jvg s LYS 33 CO 0.52 -0.63 0.75 -1.50 -0.36 0.00 0.00 175.35 174.14 3jvg s ILE 34 N 2.25 0.00 -0.17 5.43 2.07 -1.26 -4.60 121.20 124.92 3jvg s ILE 34 Ca 0.69 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.93 3jvg s ILE 34 Cb -0.37 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.24 3jvg s ILE 34 CO 0.30 0.00 -0.18 -0.55 -1.91 0.00 0.00 174.94 172.60 3jvg s SER 35 N -1.11 3.34 -0.16 4.50 0.15 0.06 -4.98 113.70 115.50 3jvg s SER 35 Ca -0.08 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.00 3jvg s SER 35 Cb -0.00 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.81 3jvg s SER 35 CO 0.08 0.03 -0.19 -0.63 1.20 0.00 0.00 173.24 173.73 3jvg s ILE 36 N 1.12 1.89 -0.11 6.45 1.01 -1.26 -0.47 121.20 129.83 3jvg s ILE 36 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3jvg s ILE 36 Cb -0.14 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3jvg s ILE 36 CO -0.07 0.51 -0.00 -0.89 0.00 0.00 0.00 174.94 174.49 3jvg s THR 37 N 1.20 0.53 0.19 2.92 2.01 0.51 -4.97 115.64 118.02 3jvg s THR 37 Ca 0.01 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 3jvg s THR 37 Cb -0.14 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 3jvg s THR 37 CO -0.09 0.15 1.16 -0.76 -0.69 0.00 0.00 174.62 174.39 3jvg s LEU 38 N 1.90 4.47 0.00 4.42 1.43 -1.26 -0.19 118.68 129.45 3jvg s LEU 38 Ca 0.03 2.19 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 3jvg s LEU 38 Cb -0.14 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 3jvg s LEU 38 CO -0.06 -0.30 -0.15 -0.04 0.23 0.00 0.00 176.35 176.02 3jvg s MET 39 N -0.41 1.14 -0.08 1.70 -1.94 0.16 -0.94 119.30 118.93 3jvg s MET 39 Ca 0.51 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.90 3jvg s MET 39 Cb -0.32 -1.13 0.02 0.00 2.01 0.00 0.00 34.83 35.42 3jvg s MET 39 CO 0.37 0.30 -0.09 0.21 -0.01 0.00 0.00 175.02 175.80 3jvg s LYS 40 N -0.56 1.48 -1.48 2.03 2.20 0.88 -1.00 119.74 123.28 3jvg s LYS 40 Ca 0.05 -0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 3jvg s LYS 40 Cb -0.06 -1.38 0.06 0.00 -1.51 0.00 0.00 37.83 34.93 3jvg s LYS 40 CO -0.00 -0.11 0.74 -0.25 -0.36 0.00 0.00 175.35 175.37 3jvg n ASP 41 N 4.33 -2.56 0.00 1.43 10.43 0.60 -1.82 116.55 128.95 3jvg n ASP 41 Ca -0.19 -0.89 0.00 0.00 2.57 0.00 0.00 54.79 56.28 3jvg n ASP 41 Cb 0.51 -3.50 0.00 0.00 1.84 0.00 0.00 41.12 39.97 3jvg n ASP 41 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jvg n GLY 42 N -1.69 0.76 3.34 0.44 0.00 -1.26 -5.03 105.19 101.74 3jvg n GLY 42 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3jvg n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jvg s VAL 43 N -3.23 1.86 0.16 1.61 -7.23 -0.76 -5.11 120.40 107.70 3jvg s VAL 43 Ca 0.00 -1.88 -0.34 0.00 -1.81 0.00 0.00 61.98 57.95 3jvg s VAL 43 Cb 0.00 -1.84 -0.15 0.00 0.56 0.00 0.00 36.38 34.95 3jvg s VAL 43 CO 0.00 -0.26 1.41 -2.65 -0.31 0.00 0.00 175.10 173.29 3jvg n PRO 44 N 0.39 1.68 -2.30 4.82 -0.02 -1.26 -0.09 135.00 138.23 3jvg n PRO 44 Ca -0.14 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 3jvg n PRO 44 Cb 0.56 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3jvg n PRO 44 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3jvg s MET 45 N 0.30 4.17 0.65 -0.52 -1.94 -0.11 -4.69 119.30 117.16 3jvg s MET 45 Ca 0.77 1.88 -0.11 0.00 -1.71 0.00 0.00 55.69 56.52 3jvg s MET 45 Cb -0.78 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 33.25 3jvg s MET 45 CO 0.45 -0.23 1.05 -1.21 -0.01 0.00 0.00 175.02 175.07 3jvg s GLU 46 N -2.13 3.31 -0.26 2.03 2.02 -1.26 -4.13 118.70 118.28 3jvg s GLU 46 Ca 0.54 0.71 0.00 0.00 0.02 0.00 0.00 54.97 56.24 3jvg s GLU 46 Cb -0.32 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.86 3jvg s GLU 46 CO 0.41 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.33 3jvg n GLY 47 N -2.70 0.55 3.75 -1.39 0.00 -1.26 -4.80 105.19 99.34 3jvg n GLY 47 Ca 0.06 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3jvg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvg s ALA 48 N -1.89 3.60 -0.01 4.61 0.00 -1.26 -4.50 121.76 122.31 3jvg s ALA 48 Ca 0.00 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.35 3jvg s ALA 48 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3jvg s ALA 48 CO 0.00 -0.73 -0.23 -0.65 0.00 0.00 0.00 175.76 174.15 3jvg s GLN 49 N -0.71 1.86 -0.19 0.00 -1.52 -0.31 -4.98 119.66 113.81 3jvg s GLN 49 Ca 0.57 -0.85 -0.01 0.00 -1.95 0.00 0.00 55.36 53.12 3jvg s GLN 49 Cb -0.41 -1.82 0.01 0.00 -0.22 0.00 0.00 33.01 30.57 3jvg s GLN 49 CO 0.46 0.50 -0.13 0.71 -0.25 0.00 0.00 175.29 176.57 3jvg s TYR 50 N -0.57 2.85 0.76 0.91 1.51 -1.26 -1.34 117.35 120.21 3jvg s TYR 50 Ca 0.09 -1.32 -0.12 0.00 -1.01 0.00 0.00 57.07 54.71 3jvg s TYR 50 Cb -0.09 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.83 3jvg s TYR 50 CO -0.01 -0.68 1.11 -1.54 -1.11 0.00 0.00 175.55 173.33 3jvg s SER 51 N 1.32 4.38 0.14 2.29 1.04 -0.11 -4.96 113.70 117.80 3jvg s SER 51 Ca 0.04 1.97 -0.35 0.00 0.48 0.00 0.00 55.95 58.10 3jvg s SER 51 Cb -0.14 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.29 3jvg s SER 51 CO -0.08 -2.13 1.40 0.47 0.98 0.00 0.00 173.24 173.89 3jvg n ASP 52 N -3.29 2.22 -4.62 7.02 8.00 -1.26 -4.76 116.55 119.86 3jvg n ASP 52 Ca 0.10 1.11 -0.47 0.00 0.71 0.00 0.00 54.79 56.25 3jvg n ASP 52 Cb 0.52 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 3jvg n ASP 52 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3jvg n MET 53 N 2.67 1.54 -4.27 -1.24 0.00 -1.26 -4.79 117.12 109.77 3jvg n MET 53 Ca 0.17 0.55 -0.19 0.00 -0.00 0.00 0.00 57.70 58.22 3jvg n MET 53 Cb 0.24 -2.11 -0.08 0.00 0.00 0.00 0.00 33.22 31.28 3jvg n MET 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3jvg s SER 54 N 0.09 1.70 0.11 6.12 0.15 -0.86 -5.01 113.70 116.00 3jvg s SER 54 Ca 0.70 -1.76 -0.07 0.00 0.70 0.00 0.00 55.95 55.53 3jvg s SER 54 Cb -0.76 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3jvg s SER 54 CO 0.51 -1.10 0.17 0.72 1.20 0.00 0.00 173.24 174.75 3jvg s PHE 55 N -3.37 0.36 0.56 3.44 -0.12 -1.26 -1.64 117.98 115.96 3jvg s PHE 55 Ca 0.40 -0.78 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 3jvg s PHE 55 Cb 0.02 -0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.32 3jvg s PHE 55 CO 0.28 -0.57 0.65 0.54 -0.05 0.00 0.00 175.22 176.06 3jvg s ASN 56 N -2.92 4.92 0.59 1.98 2.20 -0.73 -4.93 114.94 116.05 3jvg s ASN 56 Ca 0.11 -1.00 0.29 0.00 -0.94 0.00 0.00 52.86 51.32 3jvg s ASN 56 Cb 0.05 0.35 1.72 0.00 -2.00 0.00 0.00 41.25 41.37 3jvg s ASN 56 CO -0.06 -1.25 2.18 0.44 -2.94 0.00 0.00 177.10 175.47 3jvg h ASP 57 N 0.39 0.00 -0.50 3.54 3.32 -2.03 0.15 116.42 121.29 3jvg h ASP 57 Ca -0.32 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 3jvg h ASP 57 Cb 1.29 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.77 3jvg h ASP 57 CO 0.47 0.00 0.16 -0.90 -1.72 0.00 0.00 179.24 177.25 3jvg n ASP 58 N -3.87 4.00 0.00 6.45 3.85 -1.26 -4.93 116.55 120.79 3jvg n ASP 58 Ca -0.01 -2.81 0.00 0.00 -0.71 0.00 0.00 54.79 51.26 3jvg n ASP 58 Cb 0.19 -0.67 0.00 0.00 -1.35 0.00 0.00 41.12 39.29 3jvg n ASP 58 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3jvg n TRP 59 N 0.05 0.00 -2.44 2.11 7.02 0.52 -5.01 117.44 119.69 3jvg n TRP 59 Ca 0.27 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.35 3jvg n TRP 59 Cb 1.05 -0.18 -0.04 0.00 -2.42 0.00 0.00 31.31 29.72 3jvg n TRP 59 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3jvg s THR 60 N -2.68 3.41 0.54 -0.99 -4.23 -1.26 -4.65 115.64 105.78 3jvg s THR 60 Ca 0.00 1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 61.76 3jvg s THR 60 Cb 0.00 -3.88 -0.07 0.00 1.34 0.00 0.00 72.50 69.89 3jvg s THR 60 CO 0.00 0.32 1.00 -0.36 -0.54 0.00 0.00 174.62 175.03 3jvg s PHE 61 N -1.19 3.44 0.01 3.99 0.08 -0.21 -1.77 117.98 122.32 3jvg s PHE 61 Ca 0.46 1.45 -0.18 0.00 0.12 0.00 0.00 56.93 58.78 3jvg s PHE 61 Cb -0.32 -2.80 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 3jvg s PHE 61 CO 0.41 -0.48 0.39 1.14 -0.10 0.00 0.00 175.22 176.59 3jvg s GLN 62 N -4.23 0.82 -0.17 0.44 -2.07 -0.65 -1.76 119.66 112.05 3jvg s GLN 62 Ca 0.59 -0.22 -0.18 0.00 -1.82 0.00 0.00 55.36 53.73 3jvg s GLN 62 Cb -0.11 0.37 0.05 0.00 -1.09 0.00 0.00 33.01 32.23 3jvg s GLN 62 CO 0.35 -0.26 0.49 0.50 -1.32 0.00 0.00 175.29 175.05 3jvg s ARG 63 N -1.83 0.61 -0.16 9.60 3.52 -0.19 -2.02 118.95 128.47 3jvg s ARG 63 Ca -0.09 0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 56.07 3jvg s ARG 63 Cb -0.03 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 3jvg s ARG 63 CO 0.02 -0.09 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.22 3jvg s LEU 64 N 0.08 3.28 -0.06 -0.88 2.96 -1.26 -1.23 118.68 121.56 3jvg s LEU 64 Ca -0.01 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3jvg s LEU 64 Cb -0.03 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3jvg s LEU 64 CO 0.01 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.31 3jvg s VAL 65 N 0.38 1.76 0.01 1.68 1.01 -0.22 -0.93 120.40 124.09 3jvg s VAL 65 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3jvg s VAL 65 Cb -0.14 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3jvg s VAL 65 CO 0.03 0.50 0.03 -1.38 0.00 0.00 0.00 175.10 174.28 3jvg s HIS 66 N 0.05 0.15 -0.00 5.22 -3.43 -0.45 -0.49 115.29 116.32 3jvg s HIS 66 Ca -0.07 -0.31 0.01 0.00 -0.80 0.00 0.00 55.06 53.89 3jvg s HIS 66 Cb -0.14 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.90 3jvg s HIS 66 CO 0.04 -0.19 -0.02 0.00 -2.00 0.00 0.00 174.74 172.56 3jvg s ALA 67 N -1.21 0.21 0.41 -1.38 0.00 -0.20 -1.16 121.76 118.45 3jvg s ALA 67 Ca -0.13 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.48 3jvg s ALA 67 Cb -0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 3jvg s ALA 67 CO -0.00 0.04 1.41 -0.51 0.00 0.00 0.00 175.76 176.71 3jvg s ASP 68 N 0.02 6.14 0.29 0.00 -0.00 -1.26 -0.05 116.67 121.81 3jvg s ASP 68 Ca 0.00 2.90 -0.20 0.00 -0.00 0.00 0.00 52.55 55.25 3jvg s ASP 68 Cb -0.02 -2.65 0.02 0.00 -0.00 0.00 0.00 42.92 40.27 3jvg s ASP 68 CO -0.00 -1.00 0.71 0.72 -0.00 0.00 0.00 175.17 175.61 3jvg s PHE 69 N -1.19 -0.11 -0.32 4.23 -0.71 -0.46 -4.84 117.98 114.59 3jvg s PHE 69 Ca 0.57 -0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 56.08 3jvg s PHE 69 Cb -0.43 0.69 0.10 0.00 -1.21 0.00 0.00 43.02 42.17 3jvg s PHE 69 CO 0.57 -1.27 0.11 0.99 -1.34 0.00 0.00 175.22 174.27 3jvg s THR 70 N -3.70 0.90 0.27 -4.49 2.01 -1.26 -0.05 115.64 109.32 3jvg s THR 70 Ca 0.12 -1.47 -0.31 0.00 0.31 0.00 0.00 61.69 60.35 3jvg s THR 70 Cb -0.06 -1.69 -0.12 0.00 0.01 0.00 0.00 72.50 70.65 3jvg s THR 70 CO 0.08 -0.69 1.63 -0.81 -0.69 0.00 0.00 174.62 174.13 3jvg n PRO 71 N 4.77 2.70 -4.50 4.92 -0.04 -1.26 -4.76 135.00 136.83 3jvg n PRO 71 Ca -0.01 0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 64.12 3jvg n PRO 71 Cb 0.42 -2.76 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 3jvg n PRO 71 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3jvg s SER 72 N 0.67 3.29 0.08 3.54 1.04 -1.26 -0.92 113.70 120.14 3jvg s SER 72 Ca 0.67 -0.72 -0.32 0.00 0.48 0.00 0.00 55.95 56.06 3jvg s SER 72 Cb -0.51 -0.23 -0.11 0.00 0.10 0.00 0.00 66.02 65.27 3jvg s SER 72 CO 0.44 0.20 1.82 -1.20 0.98 0.00 0.00 173.24 175.48 3jvg n SER 73 N 1.09 3.83 0.00 7.02 7.64 -1.26 -2.31 113.62 129.63 3jvg n SER 73 Ca -0.18 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.69 3jvg n SER 73 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3jvg n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jvg n GLY 74 N 4.18 1.68 3.87 0.23 0.00 -1.26 -5.07 105.19 108.82 3jvg n GLY 74 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3jvg n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jvg s SER 75 N -0.51 6.53 0.03 1.61 0.01 -0.98 -5.05 113.70 115.33 3jvg s SER 75 Ca 0.00 1.23 0.07 0.00 1.31 0.00 0.00 55.95 58.55 3jvg s SER 75 Cb 0.00 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3jvg s SER 75 CO 0.00 -0.46 -0.20 0.28 0.41 0.00 0.00 173.24 173.28 3jvg s THR 76 N -2.45 1.59 0.02 1.44 -1.32 -1.26 -4.89 115.64 108.77 3jvg s THR 76 Ca 0.53 -1.07 0.03 0.00 -1.21 0.00 0.00 61.69 59.96 3jvg s THR 76 Cb -0.10 -1.37 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 3jvg s THR 76 CO 0.32 0.26 -0.09 -0.31 -2.21 0.00 0.00 174.62 172.59 3jvg s TYR 77 N -0.70 0.82 0.20 9.09 2.02 -1.26 -0.29 117.35 127.23 3jvg s TYR 77 Ca 0.07 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.30 3jvg s TYR 77 Cb -0.08 -0.50 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 3jvg s TYR 77 CO 0.01 -0.02 0.52 0.00 -1.57 0.00 0.00 175.55 174.50 3jvg s ALA 78 N -0.71 -0.87 -0.15 3.71 0.00 -0.17 0.08 121.76 123.65 3jvg s ALA 78 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3jvg s ALA 78 Cb -0.06 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.95 3jvg s ALA 78 CO 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 175.76 174.79 3jvg s LYS 80 N 1.42 3.96 -0.08 0.00 2.20 0.73 -1.32 119.74 126.65 3jvg s LYS 80 Ca 0.04 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 3jvg s LYS 80 Cb -0.13 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3jvg s LYS 80 CO -0.11 0.40 -0.07 0.08 -0.36 0.00 0.00 175.35 175.29 3jvg s VAL 81 N 0.05 0.89 -0.06 4.02 1.01 -0.21 -0.36 120.40 125.73 3jvg s VAL 81 Ca 0.09 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3jvg s VAL 81 Cb -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3jvg s VAL 81 CO -0.00 0.32 -0.18 -1.61 0.00 0.00 0.00 175.10 173.63 3jvg s GLU 82 N 1.28 2.60 -0.01 2.72 2.02 0.37 -0.80 118.70 126.89 3jvg s GLU 82 Ca -0.04 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 3jvg s GLU 82 Cb -0.14 -2.32 0.07 0.00 0.10 0.00 0.00 34.13 31.84 3jvg s GLU 82 CO -0.03 0.50 0.67 -1.58 0.02 0.00 0.00 175.26 174.84 3jvg s HIS 83 N -0.42 -0.63 0.58 1.61 2.46 -1.26 -0.76 115.29 116.86 3jvg s HIS 83 Ca 0.04 0.97 0.31 0.00 0.47 0.00 0.00 55.06 56.85 3jvg s HIS 83 Cb -0.12 0.44 1.83 0.00 -0.13 0.00 0.00 32.58 34.60 3jvg s HIS 83 CO 0.02 -0.66 2.25 1.05 -2.47 0.00 0.00 174.74 174.93 3jvg h GLU 84 N 2.80 0.00 0.00 2.88 -0.00 -1.95 -0.91 114.58 117.40 3jvg h GLU 84 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 3jvg h GLU 84 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 3jvg h GLU 84 CO 0.39 0.01 0.00 0.25 -0.00 0.00 0.00 179.01 179.66 3jvg n THR 85 N -3.76 0.84 -3.74 -1.06 -2.24 -1.26 -4.71 114.28 98.35 3jvg n THR 85 Ca -0.03 0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.63 3jvg n THR 85 Cb 0.10 -1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 67.02 3jvg n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jvg s LEU 86 N -4.45 3.58 0.45 3.22 1.43 -0.35 -4.97 118.68 117.59 3jvg s LEU 86 Ca 0.04 -0.30 0.24 0.00 -1.03 0.00 0.00 54.13 53.08 3jvg s LEU 86 Cb 0.09 -1.93 1.26 0.00 0.03 0.00 0.00 46.19 45.64 3jvg s LEU 86 CO 0.38 -0.07 1.81 0.11 0.23 0.00 0.00 176.35 178.80 3jvg h LYS 87 N 8.26 0.24 -3.63 1.70 1.79 -1.84 -3.44 116.57 119.64 3jvg h LYS 87 Ca -0.37 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.02 3jvg h LYS 87 Cb 1.17 -0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 31.63 3jvg h LYS 87 CO 0.59 0.16 -0.24 -1.83 -1.08 0.00 0.00 179.45 177.04 3jvg s GLU 88 N -5.29 0.94 0.35 3.15 -1.05 -1.26 -5.14 118.70 110.41 3jvg s GLU 88 Ca -0.07 -0.85 -0.27 0.00 -0.15 0.00 0.00 54.97 53.63 3jvg s GLU 88 Cb 0.24 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 34.20 3jvg s GLU 88 CO 0.79 -0.33 1.16 -2.30 0.95 0.00 0.00 175.26 175.54 3jvg n PRO 89 N -0.12 1.76 -4.51 -4.83 -0.02 -1.26 -4.91 135.00 121.11 3jvg n PRO 89 Ca -0.15 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 3jvg n PRO 89 Cb 0.63 -2.16 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 3jvg n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3jvg s GLN 90 N -1.87 3.25 -0.22 -0.52 -1.52 0.02 -4.89 119.66 113.91 3jvg s GLN 90 Ca 0.58 -0.53 -0.08 0.00 -1.95 0.00 0.00 55.36 53.39 3jvg s GLN 90 Cb -0.59 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 3jvg s GLN 90 CO 0.60 0.44 0.08 0.08 -0.25 0.00 0.00 175.29 176.24 3jvg s VAL 91 N -0.19 4.61 -0.34 1.09 1.01 -1.26 -1.05 120.40 124.27 3jvg s VAL 91 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3jvg s VAL 91 Cb -0.13 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.18 3jvg s VAL 91 CO 0.03 0.38 0.09 -0.31 0.00 0.00 0.00 175.10 175.29 3jvg s TYR 92 N 1.09 3.31 0.41 5.22 1.51 -0.43 -4.96 117.35 123.50 3jvg s TYR 92 Ca 0.05 -1.73 -0.25 0.00 -1.01 0.00 0.00 57.07 54.13 3jvg s TYR 92 Cb -0.14 -2.40 -0.08 0.00 -0.11 0.00 0.00 41.96 39.22 3jvg s TYR 92 CO 0.03 -0.80 1.18 0.15 -1.11 0.00 0.00 175.55 175.01 3jvg s LYS 93 N 1.32 3.99 -0.05 -0.62 -0.14 -1.26 -1.50 119.74 121.47 3jvg s LYS 93 Ca -0.01 1.87 -0.30 0.00 -1.36 0.00 0.00 55.97 56.17 3jvg s LYS 93 Cb -0.20 -2.63 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 3jvg s LYS 93 CO 0.00 -0.39 1.51 -0.46 -0.76 0.00 0.00 175.35 175.26 3jvg s TRP 94 N -1.42 2.42 -0.54 3.18 -0.00 0.11 -4.91 118.94 117.78 3jvg s TRP 94 Ca 0.58 0.53 -0.26 0.00 -0.00 0.00 0.00 56.10 56.95 3jvg s TRP 94 Cb -0.31 -3.77 0.04 0.00 -0.00 0.00 0.00 33.47 29.42 3jvg s TRP 94 CO 0.39 -3.06 1.02 0.34 -0.00 0.00 0.00 176.95 175.64 3jvg s ASP 95 N 2.61 6.41 0.00 5.86 3.68 -1.26 -4.76 116.67 129.21 3jvg s ASP 95 Ca 0.67 -0.11 0.00 0.00 2.13 0.00 0.00 52.55 55.25 3jvg s ASP 95 Cb -0.31 -2.48 0.00 0.00 -1.45 0.00 0.00 42.92 38.68 3jvg s ASP 95 CO 0.26 -1.27 0.47 -2.65 0.13 0.00 0.00 175.17 172.11 3jvg n PRO 96 N 7.70 0.00 0.03 4.34 -0.02 -1.26 0.47 135.00 146.26 3jvg n PRO 96 Ca 0.05 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 3jvg n PRO 96 Cb 0.48 -1.52 0.13 0.00 -0.02 0.00 0.00 33.50 32.57 3jvg n PRO 96 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3jvg n GLU 97 N -0.97 0.22 0.00 -0.52 1.02 -1.26 -4.47 120.64 114.66 3jvg n GLU 97 Ca 0.00 0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 3jvg n GLU 97 Cb 0.02 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 3jvg n GLU 97 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50