#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvc h PRO 2 N 0.00 0.00 -3.96 1.61 0.13 -2.05 -3.42 132.00 124.31 2jvc h PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.71 2jvc h PRO 2 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 2jvc h PRO 2 CO 0.00 0.15 -0.77 -1.17 -0.23 0.00 0.00 178.00 175.98 2jvc s LEU 3 N -6.71 1.19 0.00 1.56 2.96 -1.26 -5.12 118.68 111.30 2jvc s LEU 3 Ca -0.00 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2jvc s LEU 3 Cb 0.10 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.34 2jvc s LEU 3 CO 0.60 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 176.16 2jvc n GLY 4 N 4.28 3.50 0.00 7.98 0.00 -1.26 -5.01 105.19 114.68 2jvc n GLY 4 Ca -0.21 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2jvc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jvc n SER 5 N 0.00 0.00 -2.91 1.61 2.88 -1.25 -5.02 113.62 108.92 2jvc n SER 5 Ca 0.00 0.33 -0.15 0.00 -1.33 0.00 0.00 58.87 57.72 2jvc n SER 5 Cb 0.00 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.19 2jvc n SER 5 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2jvc n MET 6 N -1.20 0.77 -4.07 -1.46 0.00 0.10 -4.97 117.12 106.29 2jvc n MET 6 Ca 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 57.70 55.60 2jvc n MET 6 Cb 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 33.22 34.17 2jvc n MET 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2jvc s GLN 7 N -2.91 0.55 0.04 3.17 2.00 -1.12 0.20 119.66 121.60 2jvc s GLN 7 Ca 0.11 -0.99 0.01 0.00 -2.00 0.00 0.00 55.36 52.49 2jvc s GLN 7 Cb 0.01 0.03 -0.03 0.00 0.80 0.00 0.00 33.01 33.82 2jvc s GLN 7 CO 0.08 -0.05 -0.06 0.42 -0.50 0.00 0.00 175.29 175.18 2jvc s ILE 8 N -2.76 0.39 -0.18 -2.34 1.01 -0.47 -2.84 121.20 114.01 2jvc s ILE 8 Ca -0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 2jvc s ILE 8 Cb -0.01 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 2jvc s ILE 8 CO -0.05 -0.56 -0.03 -0.36 0.00 0.00 0.00 174.94 173.94 2jvc s PHE 9 N -2.03 3.01 -0.14 3.97 0.08 0.83 -2.01 117.98 121.69 2jvc s PHE 9 Ca -0.07 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 2jvc s PHE 9 Cb -0.06 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2jvc s PHE 9 CO -0.02 -0.19 -0.11 0.08 -0.10 0.00 0.00 175.22 174.88 2jvc s VAL 10 N 0.76 3.20 -0.33 -0.44 1.01 -0.35 -1.95 120.40 122.30 2jvc s VAL 10 Ca -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2jvc s VAL 10 Cb -0.14 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2jvc s VAL 10 CO 0.02 0.51 0.13 -0.75 0.00 0.00 0.00 175.10 175.01 2jvc s LYS 11 N 0.47 2.95 0.76 2.72 2.20 -0.89 -1.91 119.74 126.03 2jvc s LYS 11 Ca -0.08 -0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 54.45 2jvc s LYS 11 Cb -0.15 -3.50 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2jvc s LYS 11 CO 0.04 -0.55 1.08 0.95 -0.36 0.00 0.00 175.35 176.51 2jvc s THR 12 N 1.50 3.49 0.54 3.43 -4.23 -0.88 0.81 115.64 120.30 2jvc s THR 12 Ca 0.02 0.48 0.39 0.00 -1.18 0.00 0.00 61.69 61.40 2jvc s THR 12 Cb -0.18 -3.20 0.39 0.00 1.34 0.00 0.00 72.50 70.85 2jvc s THR 12 CO 0.04 -0.63 2.19 0.25 -0.54 0.00 0.00 174.62 175.93 2jvc h LEU 13 N -0.95 0.00 -2.18 4.79 6.46 -1.72 0.24 115.31 121.95 2jvc h LEU 13 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2jvc h LEU 13 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 2jvc h LEU 13 CO 0.57 0.00 0.00 0.35 -0.62 0.00 0.00 178.44 178.74 2jvc n THR 14 N -2.91 1.09 -2.82 1.05 -2.24 -1.26 -4.93 114.28 102.25 2jvc n THR 14 Ca -0.03 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 2jvc n THR 14 Cb 0.12 0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.52 2jvc n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jvc n GLY 15 N 1.03 -0.48 3.07 3.38 0.00 0.85 -5.03 105.19 108.00 2jvc n GLY 15 Ca 0.18 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 2jvc n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jvc s LYS 16 N -4.23 2.67 -0.27 1.61 2.36 -1.24 -4.90 119.74 115.74 2jvc s LYS 16 Ca 0.26 -0.73 -0.19 0.00 -2.55 0.00 0.00 55.97 52.76 2jvc s LYS 16 Cb -0.03 -2.39 -0.02 0.00 -1.05 0.00 0.00 37.83 34.34 2jvc s LYS 16 CO 0.53 -0.24 0.55 0.95 1.55 0.00 0.00 175.35 178.69 2jvc s THR 17 N 1.37 5.03 0.02 3.43 -4.23 -1.26 -2.06 115.64 117.94 2jvc s THR 17 Ca 0.05 0.86 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 2jvc s THR 17 Cb -0.13 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 2jvc s THR 17 CO -0.12 0.02 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.29 2jvc s ILE 18 N 2.39 1.39 -0.06 2.99 2.07 -0.80 -4.96 121.20 124.21 2jvc s ILE 18 Ca 0.22 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 2jvc s ILE 18 Cb -0.15 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.21 2jvc s ILE 18 CO 0.10 0.23 -0.04 0.42 -1.91 0.00 0.00 174.94 173.74 2jvc s THR 19 N -0.64 3.94 -0.08 4.00 -4.23 -1.26 -1.21 115.64 116.16 2jvc s THR 19 Ca 0.06 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 2jvc s THR 19 Cb -0.08 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.15 2jvc s THR 19 CO 0.01 0.57 0.18 0.27 -0.54 0.00 0.00 174.62 175.10 2jvc s ILE 20 N -0.87 -0.04 -0.08 2.99 -4.36 -0.85 -4.97 121.20 113.01 2jvc s ILE 20 Ca 0.14 0.13 -0.27 0.00 -0.26 0.00 0.00 60.65 60.39 2jvc s ILE 20 Cb -0.11 -0.28 -0.02 0.00 1.25 0.00 0.00 42.46 43.29 2jvc s ILE 20 CO 0.03 0.06 0.86 1.51 0.24 0.00 0.00 174.94 177.64 2jvc s ASP 21 N 0.98 7.12 0.12 4.36 -4.77 -1.26 -1.37 116.67 121.86 2jvc s ASP 21 Ca -0.07 1.37 -0.04 0.00 -3.30 0.00 0.00 52.55 50.51 2jvc s ASP 21 Cb -0.09 -2.49 -0.03 0.00 -1.09 0.00 0.00 42.92 39.22 2jvc s ASP 21 CO -0.05 -0.29 0.11 0.68 0.70 0.00 0.00 175.17 176.32 2jvc s VAL 22 N 1.43 0.11 0.16 2.11 -7.23 0.13 -4.95 120.40 112.17 2jvc s VAL 22 Ca 0.43 -1.70 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 2jvc s VAL 22 Cb -0.18 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2jvc s VAL 22 CO 0.19 -0.52 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.51 2jvc s ASP 23 N -2.99 4.01 0.39 4.85 1.11 -1.26 0.01 116.67 122.80 2jvc s ASP 23 Ca 0.18 -0.62 0.27 0.00 0.18 0.00 0.00 52.55 52.56 2jvc s ASP 23 Cb 0.06 -0.59 1.43 0.00 1.07 0.00 0.00 42.92 44.88 2jvc s ASP 23 CO -0.02 0.13 1.82 1.12 1.18 0.00 0.00 175.17 179.40 2jvc h HIS 24 N 3.21 0.00 -0.17 4.23 2.07 -1.96 0.86 115.15 123.39 2jvc h HIS 24 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2jvc h HIS 24 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 2jvc h HIS 24 CO 0.64 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.50 2jvc n ALA 25 N -1.84 2.51 -2.72 6.11 0.00 -1.26 -4.08 120.51 119.22 2jvc n ALA 25 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2jvc n ALA 25 Cb 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2jvc n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jvc n ASP 26 N 0.07 0.00 -3.99 0.00 8.00 0.29 -5.05 116.55 115.87 2jvc n ASP 26 Ca 0.12 -0.72 -0.10 0.00 0.71 0.00 0.00 54.79 54.80 2jvc n ASP 26 Cb 0.22 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2jvc n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jvc s THR 27 N 1.28 0.06 0.14 -3.53 -4.23 -1.26 -4.28 115.64 103.81 2jvc s THR 27 Ca 0.00 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 2jvc s THR 27 Cb 0.00 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 2jvc s THR 27 CO 0.00 -0.25 1.72 0.58 -0.54 0.00 0.00 174.62 176.13 2jvc h VAL 28 N 2.53 0.82 -0.51 2.29 2.07 -0.52 -2.07 116.25 120.87 2jvc h VAL 28 Ca -0.32 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.27 2jvc h VAL 28 Cb 1.23 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 2jvc h VAL 28 CO 0.48 0.02 -0.13 1.23 0.02 0.00 0.00 177.57 179.18 2jvc h GLY 29 N 0.09 0.36 1.01 2.17 0.00 -1.77 0.10 103.07 105.03 2jvc h GLY 29 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2jvc h GLY 29 CO -0.20 -0.19 0.54 0.00 0.00 0.00 0.00 176.54 176.69 2jvc h ALA 30 N 1.50 1.07 -0.63 3.60 0.00 -1.79 -2.55 119.26 120.47 2jvc h ALA 30 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jvc h ALA 30 Cb 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2jvc h ALA 30 CO -0.53 0.50 0.36 0.28 0.00 0.00 0.00 179.25 179.87 2jvc h VAL 31 N 1.15 1.19 -0.76 0.00 2.07 -0.46 -2.43 116.25 117.02 2jvc h VAL 31 Ca 0.31 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.44 2jvc h VAL 31 Cb -0.10 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 2jvc h VAL 31 CO -0.06 0.21 0.42 0.11 0.02 0.00 0.00 177.57 178.26 2jvc h LYS 32 N 0.86 0.70 -0.65 1.57 6.56 -0.64 -1.32 116.57 123.65 2jvc h LYS 32 Ca 0.22 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.72 2jvc h LYS 32 Cb 0.01 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.49 2jvc h LYS 32 CO -0.04 0.46 0.19 0.00 -2.06 0.00 0.00 179.45 178.01 2jvc h ALA 33 N 1.42 1.10 -0.68 3.86 0.00 -1.23 -2.27 119.26 121.46 2jvc h ALA 33 Ca 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jvc h ALA 33 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jvc h ALA 33 CO -0.23 0.61 0.45 -0.22 0.00 0.00 0.00 179.25 179.86 2jvc h LYS 34 N 0.97 0.88 -0.30 0.00 1.63 -0.80 -2.25 116.57 116.71 2jvc h LYS 34 Ca 0.21 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2jvc h LYS 34 Cb 0.30 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2jvc h LYS 34 CO -0.01 0.58 -0.21 0.82 -3.45 0.00 0.00 179.45 177.19 2jvc h ILE 35 N 0.91 1.26 -0.51 2.00 1.08 -1.15 -1.91 117.51 119.19 2jvc h ILE 35 Ca 0.25 -1.22 0.06 0.00 -0.39 0.00 0.00 64.86 63.56 2jvc h ILE 35 Cb -0.09 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 2jvc h ILE 35 CO -0.06 0.40 0.23 0.22 -0.69 0.00 0.00 178.15 178.25 2jvc h TYR 36 N 0.49 0.42 -0.02 1.37 3.20 -0.83 -1.89 116.97 119.71 2jvc h TYR 36 Ca 0.08 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.80 2jvc h TYR 36 Cb 0.64 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2jvc h TYR 36 CO 0.02 0.18 -0.77 0.22 -1.64 0.00 0.00 178.16 176.17 2jvc h ASP 37 N 0.45 0.21 -0.51 -2.11 3.58 -1.37 0.66 116.42 117.33 2jvc h ASP 37 Ca 0.24 -0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.61 2jvc h ASP 37 Cb 0.19 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.12 2jvc h ASP 37 CO -0.20 0.90 0.17 0.11 -2.88 0.00 0.00 179.24 177.35 2jvc h LYS 38 N 0.10 0.34 0.00 0.28 6.56 -0.57 -3.38 116.57 119.90 2jvc h LYS 38 Ca -0.03 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 2jvc h LYS 38 Cb 1.35 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 2jvc h LYS 38 CO 0.11 0.22 -0.51 -0.85 -2.06 0.00 0.00 179.45 176.37 2jvc n GLU 39 N -5.01 0.18 0.00 3.15 0.28 -0.89 -5.09 120.64 113.27 2jvc n GLU 39 Ca 0.05 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 2jvc n GLU 39 Cb 0.21 -0.82 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2jvc n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jvc n GLY 40 N 2.74 0.44 3.23 -1.84 0.00 0.23 -5.08 105.19 104.92 2jvc n GLY 40 Ca -0.07 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2jvc n GLY 40 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jvc s ILE 41 N 0.00 1.30 -0.19 -0.61 -0.00 -1.13 -5.04 121.20 115.53 2jvc s ILE 41 Ca 0.00 -1.64 -0.29 0.00 -0.00 0.00 0.00 60.65 58.72 2jvc s ILE 41 Cb 0.00 -1.45 -0.03 0.00 -0.00 0.00 0.00 42.46 40.98 2jvc s ILE 41 CO 0.00 -0.38 1.59 -2.16 -0.00 0.00 0.00 174.94 173.99 2jvc s PRO 42 N -2.50 3.90 0.32 0.37 0.04 -1.26 -4.40 135.00 131.48 2jvc s PRO 42 Ca 0.07 1.75 0.11 0.00 0.04 0.00 0.00 61.00 62.97 2jvc s PRO 42 Cb -0.06 -4.00 0.53 0.00 0.04 0.00 0.00 34.50 31.01 2jvc s PRO 42 CO 0.03 -1.16 1.72 -1.00 0.04 0.00 0.00 177.00 176.63 2jvc h PRO 43 N 10.27 0.02 0.00 0.56 0.13 -1.90 -2.66 132.00 138.43 2jvc h PRO 43 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jvc h PRO 43 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jvc h PRO 43 CO 0.99 0.51 0.00 0.22 -0.23 0.00 0.00 178.00 179.49 2jvc h ASP 44 N 0.02 0.00 0.33 1.44 3.58 -1.95 -2.74 116.42 117.08 2jvc h ASP 44 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jvc h ASP 44 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2jvc h ASP 44 CO 0.06 0.00 -0.90 0.00 -2.88 0.00 0.00 179.24 175.53 2jvc n GLN 45 N -2.54 0.14 -4.28 0.28 6.02 -1.01 -4.92 117.38 111.07 2jvc n GLN 45 Ca 0.03 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.74 2jvc n GLN 45 Cb 0.33 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.96 2jvc n GLN 45 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2jvc s GLN 46 N -3.10 2.08 0.16 -1.09 -2.07 -1.04 -2.20 119.66 112.41 2jvc s GLN 46 Ca 0.07 -1.23 0.02 0.00 -1.82 0.00 0.00 55.36 52.39 2jvc s GLN 46 Cb 0.16 -2.19 -0.05 0.00 -1.09 0.00 0.00 33.01 29.85 2jvc s GLN 46 CO 0.79 0.44 -0.02 1.03 -1.32 0.00 0.00 175.29 176.22 2jvc s ARG 47 N -2.77 1.08 0.04 9.60 3.00 0.52 -4.89 118.95 125.53 2jvc s ARG 47 Ca 0.25 -1.50 0.01 0.00 0.00 0.00 0.00 55.73 54.48 2jvc s ARG 47 Cb -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 34.95 34.52 2jvc s ARG 47 CO 0.15 -0.10 0.11 -0.51 0.00 0.00 0.00 175.30 174.95 2jvc s LEU 48 N -3.16 3.96 -0.04 2.53 2.01 -1.26 -1.48 118.68 121.24 2jvc s LEU 48 Ca 0.22 0.12 -0.01 0.00 0.01 0.00 0.00 54.13 54.46 2jvc s LEU 48 Cb 0.06 -2.48 0.03 0.00 0.01 0.00 0.00 46.19 43.80 2jvc s LEU 48 CO 0.03 0.22 0.05 -0.63 1.01 0.00 0.00 176.35 177.02 2jvc s ILE 49 N -1.33 -0.06 -0.11 -0.59 1.01 0.11 -1.69 121.20 118.55 2jvc s ILE 49 Ca 0.27 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.27 2jvc s ILE 49 Cb -0.12 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.21 2jvc s ILE 49 CO 0.20 0.16 -0.11 0.12 0.00 0.00 0.00 174.94 175.30 2jvc s PHE 50 N 1.78 1.66 -0.05 3.97 2.19 0.11 -1.90 117.98 125.74 2jvc s PHE 50 Ca 0.00 -0.79 0.00 0.00 0.33 0.00 0.00 56.93 56.47 2jvc s PHE 50 Cb -0.12 -1.28 0.00 0.00 -1.31 0.00 0.00 43.02 40.31 2jvc s PHE 50 CO -0.03 -0.47 0.00 0.41 1.83 0.00 0.00 175.22 176.96 2jvc n GLY 51 N 4.52 0.19 0.00 13.12 0.00 -1.26 -2.08 105.19 119.68 2jvc n GLY 51 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jvc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jvc n GLY 52 N -0.20 1.57 3.88 -0.02 0.00 -1.26 -5.07 105.19 104.08 2jvc n GLY 52 Ca -0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2jvc n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jvc s LYS 53 N 0.00 3.73 0.93 1.61 0.00 -0.88 -5.02 119.74 120.11 2jvc s LYS 53 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 55.97 55.98 2jvc s LYS 53 Cb 0.00 -2.92 0.15 0.00 0.00 0.00 0.00 37.83 35.06 2jvc s LYS 53 CO 0.00 0.51 1.09 -1.14 0.00 0.00 0.00 175.35 175.81 2jvc s GLN 54 N -2.21 1.01 -0.14 1.78 0.74 -1.26 0.07 119.66 119.64 2jvc s GLN 54 Ca 0.37 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.48 2jvc s GLN 54 Cb -0.13 -1.79 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 2jvc s GLN 54 CO 0.20 -2.38 -0.14 -0.51 -0.55 0.00 0.00 175.29 171.91 2jvc s LEU 55 N -6.28 2.57 0.00 3.68 1.43 -0.68 -4.72 118.68 114.68 2jvc s LEU 55 Ca 0.64 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2jvc s LEU 55 Cb -0.18 -1.58 0.17 0.00 0.03 0.00 0.00 46.19 44.63 2jvc s LEU 55 CO 0.57 0.12 0.54 1.21 0.23 0.00 0.00 176.35 179.02 2jvc n GLU 56 N 3.82 -2.52 0.20 1.70 2.13 -1.26 -4.63 120.64 120.07 2jvc n GLU 56 Ca -0.19 -0.87 0.07 0.00 0.66 0.00 0.00 57.16 56.83 2jvc n GLU 56 Cb 0.52 -0.89 0.35 0.00 0.27 0.00 0.00 31.44 31.69 2jvc n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2jvc h ASP 57 N -2.18 0.00 -0.15 4.31 3.32 -2.00 -3.03 116.42 116.69 2jvc h ASP 57 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2jvc h ASP 57 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2jvc h ASP 57 CO 0.14 0.32 0.00 -0.24 -1.72 0.00 0.00 179.24 177.74 2jvc n SER 58 N -3.43 2.35 -4.51 6.45 2.88 -1.26 0.21 113.62 116.31 2jvc n SER 58 Ca 0.00 -1.68 -0.44 0.00 -1.33 0.00 0.00 58.87 55.42 2jvc n SER 58 Cb 0.50 -0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2jvc n SER 58 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2jvc s ASN 59 N -0.97 6.99 0.00 -3.46 3.84 -1.15 -3.65 114.94 116.54 2jvc s ASN 59 Ca 0.18 -2.79 0.00 0.00 0.21 0.00 0.00 52.86 50.45 2jvc s ASN 59 Cb 0.11 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 2jvc s ASN 59 CO 0.15 -0.91 0.00 0.00 -2.79 0.00 0.00 177.10 173.56 2jvc n ALA 60 N 6.68 0.00 0.13 1.71 0.00 -1.26 -4.51 120.51 123.26 2jvc n ALA 60 Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 2jvc n ALA 60 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 2jvc n ALA 60 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jvc h MET 61 N 0.00 -0.39 -0.54 0.00 2.86 -1.78 -3.00 114.93 112.08 2jvc h MET 61 Ca 0.00 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2jvc h MET 61 Cb 0.00 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2jvc h MET 61 CO 0.00 -0.26 0.36 1.03 1.06 0.00 0.00 176.91 179.10 2jvc h SER 62 N -1.11 0.44 -0.09 1.22 0.87 -1.71 -0.03 113.55 113.14 2jvc h SER 62 Ca -0.04 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2jvc h SER 62 Cb 0.32 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2jvc h SER 62 CO 0.07 0.29 0.11 -0.78 -0.53 0.00 0.00 176.83 175.99 2jvc h ASP 63 N 0.50 0.00 -0.09 6.23 1.82 -1.64 -3.45 116.42 119.79 2jvc h ASP 63 Ca 0.23 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 2jvc h ASP 63 Cb 0.28 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2jvc h ASP 63 CO -0.06 0.00 -0.03 0.00 -1.61 0.00 0.00 179.24 177.54 2jvc n TYR 64 N -3.73 -0.01 -0.27 0.28 9.36 -0.03 -4.92 117.16 117.85 2jvc n TYR 64 Ca -0.01 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.27 2jvc n TYR 64 Cb 0.21 -0.80 0.16 0.00 -0.63 0.00 0.00 39.34 38.28 2jvc n TYR 64 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2jvc n ASN 65 N 1.77 3.00 -4.66 2.98 6.94 -1.17 -4.97 115.26 119.14 2jvc n ASN 65 Ca -0.01 -2.12 -0.40 0.00 -0.02 0.00 0.00 54.58 52.02 2jvc n ASN 65 Cb 0.14 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 2jvc n ASN 65 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jvc s VAL 66 N -1.22 5.03 0.49 3.53 0.11 -1.14 -4.99 120.40 122.21 2jvc s VAL 66 Ca 0.24 1.19 0.01 0.00 -2.93 0.00 0.00 61.98 60.50 2jvc s VAL 66 Cb 0.14 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 2jvc s VAL 66 CO 0.14 0.12 0.04 0.00 -3.33 0.00 0.00 175.10 172.07 2jvc s GLN 67 N 1.85 2.15 0.44 1.54 -2.07 -1.26 -5.03 119.66 117.28 2jvc s GLN 67 Ca 0.29 -2.38 0.16 0.00 -1.82 0.00 0.00 55.36 51.61 2jvc s GLN 67 Cb -0.16 -1.27 1.01 0.00 -1.09 0.00 0.00 33.01 31.50 2jvc s GLN 67 CO 0.11 -0.42 1.97 -0.22 -1.32 0.00 0.00 175.29 175.40 2jvc h LYS 68 N 1.42 0.00 -2.10 9.60 1.63 -1.95 -3.30 116.57 121.87 2jvc h LYS 68 Ca -0.41 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 58.85 2jvc h LYS 68 Cb 1.31 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 32.58 2jvc h LYS 68 CO 0.69 0.21 -0.96 -0.85 -3.45 0.00 0.00 179.45 175.09 2jvc n GLU 69 N -4.16 0.35 -3.48 1.90 0.28 -1.13 -2.78 120.64 111.63 2jvc n GLU 69 Ca -0.02 -3.05 -0.38 0.00 -0.16 0.00 0.00 57.16 53.55 2jvc n GLU 69 Cb 0.28 -1.54 -0.08 0.00 1.43 0.00 0.00 31.44 31.53 2jvc n GLU 69 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jvc s SER 70 N -0.23 6.30 -0.35 -1.84 0.15 -1.24 -4.89 113.70 111.60 2jvc s SER 70 Ca 0.33 0.35 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 2jvc s SER 70 Cb 0.07 -2.19 -0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2jvc s SER 70 CO -0.17 -0.05 0.48 0.42 1.20 0.00 0.00 173.24 175.13 2jvc s THR 71 N 1.35 5.05 0.14 6.45 -4.23 -1.26 -0.12 115.64 123.02 2jvc s THR 71 Ca 0.15 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 2jvc s THR 71 Cb -0.15 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 2jvc s THR 71 CO 0.07 -0.21 -0.19 -1.48 -0.54 0.00 0.00 174.62 172.28 2jvc s LEU 72 N 2.31 2.38 -0.27 4.79 0.05 -0.82 -5.01 118.68 122.12 2jvc s LEU 72 Ca 0.17 -0.79 -0.14 0.00 0.05 0.00 0.00 54.13 53.42 2jvc s LEU 72 Cb -0.16 -0.83 -0.04 0.00 -2.05 0.00 0.00 46.19 43.12 2jvc s LEU 72 CO 0.13 -0.01 0.32 -1.00 -0.55 0.00 0.00 176.35 175.24 2jvc s HIS 73 N -1.73 3.24 -0.26 3.48 3.76 -0.80 -2.10 115.29 120.89 2jvc s HIS 73 Ca 0.12 0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 55.30 2jvc s HIS 73 Cb -0.07 -2.52 -0.00 0.00 1.11 0.00 0.00 32.58 31.10 2jvc s HIS 73 CO 0.05 -0.21 0.03 -1.17 -0.85 0.00 0.00 174.74 172.59 2jvc s LEU 74 N 1.98 3.40 -0.08 0.89 2.96 0.24 0.05 118.68 128.12 2jvc s LEU 74 Ca 0.13 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2jvc s LEU 74 Cb -0.16 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2jvc s LEU 74 CO 0.10 -0.10 -0.10 0.68 -1.32 0.00 0.00 176.35 175.61 2jvc s VAL 75 N 1.50 3.40 -0.03 1.68 -7.23 -0.55 -1.82 120.40 117.35 2jvc s VAL 75 Ca 0.04 -0.58 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 2jvc s VAL 75 Cb -0.16 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2jvc s VAL 75 CO 0.00 0.57 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.40 2jvc s LEU 76 N -0.42 2.00 -0.64 1.32 1.02 -1.26 -0.36 118.68 120.35 2jvc s LEU 76 Ca 0.06 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 2jvc s LEU 76 Cb -0.12 -1.09 0.44 0.00 0.02 0.00 0.00 46.19 45.44 2jvc s LEU 76 CO 0.02 0.22 1.92 0.54 0.02 0.00 0.00 176.35 179.06 2jvc n ARG 77 N 2.84 2.83 -0.10 1.70 3.00 -0.94 -4.69 116.66 121.30 2jvc n ARG 77 Ca -0.17 -3.45 -0.08 0.00 -0.01 0.00 0.00 57.85 54.15 2jvc n ARG 77 Cb 0.53 -2.29 -0.00 0.00 0.00 0.00 0.00 32.46 30.70 2jvc n ARG 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2jvc h LEU 78 N 2.14 0.29 0.00 0.55 4.07 -1.90 -3.45 115.31 117.00 2jvc h LEU 78 Ca 0.57 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.54 2jvc h LEU 78 Cb 0.82 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2jvc h LEU 78 CO 1.46 0.21 0.00 0.54 -1.08 0.00 0.00 178.44 179.58 2jvc n ARG 79 N -4.92 0.00 -2.69 1.13 5.12 -1.26 -3.77 116.66 110.27 2jvc n ARG 79 Ca -0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2jvc n ARG 79 Cb 0.06 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.40 2jvc n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jvc n GLY 80 N 0.00 -1.33 0.00 -0.13 0.00 -1.26 -5.15 105.19 97.32 2jvc n GLY 80 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2jvc n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jvc n GLY 81 N 2.33 -1.37 0.00 -0.02 0.00 -1.25 -5.31 105.19 99.58 2jvc n GLY 81 Ca 0.10 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2jvc n GLY 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87