#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvc s PRO 2 N 0.00 3.64 -0.29 1.61 0.04 -1.26 -4.95 135.00 133.79 2jvc s PRO 2 Ca 0.00 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 2jvc s PRO 2 Cb 0.00 -4.08 0.15 0.00 0.04 0.00 0.00 34.50 30.61 2jvc s PRO 2 CO 0.00 -1.48 1.09 -0.48 0.04 0.00 0.00 177.00 176.17 2jvc s LEU 3 N 5.71 -0.37 0.00 -3.56 0.05 -1.26 -5.13 118.68 114.11 2jvc s LEU 3 Ca 0.73 0.65 0.00 0.00 0.05 0.00 0.00 54.13 55.55 2jvc s LEU 3 Cb -0.23 1.62 0.00 0.00 -2.05 0.00 0.00 46.19 45.53 2jvc s LEU 3 CO 0.31 -0.11 0.00 0.61 -0.55 0.00 0.00 176.35 176.61 2jvc n GLY 4 N 2.84 1.44 0.02 -3.48 0.00 -1.26 -5.08 105.19 99.67 2jvc n GLY 4 Ca -0.15 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2jvc n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jvc h SER 5 N 0.00 0.00 -2.79 1.61 0.87 -1.94 -3.51 113.55 107.78 2jvc h SER 5 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 2jvc h SER 5 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2jvc h SER 5 CO 0.00 0.25 -0.09 1.15 -0.53 0.00 0.00 176.83 177.61 2jvc n MET 6 N -3.06 0.30 -4.09 2.24 0.00 -0.40 -4.98 117.12 107.13 2jvc n MET 6 Ca -0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 57.70 56.26 2jvc n MET 6 Cb 0.08 1.25 -0.10 0.00 0.00 0.00 0.00 33.22 34.45 2jvc n MET 6 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2jvc s GLN 7 N -2.41 0.61 0.12 3.17 -0.21 -1.11 0.13 119.66 119.96 2jvc s GLN 7 Ca 0.14 -1.13 0.06 0.00 0.02 0.00 0.00 55.36 54.44 2jvc s GLN 7 Cb -0.00 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 2jvc s GLN 7 CO 0.10 -0.08 -0.14 0.42 -2.12 0.00 0.00 175.29 173.48 2jvc s ILE 8 N -3.40 1.30 -0.19 1.08 1.01 0.50 -2.72 121.20 118.78 2jvc s ILE 8 Ca 0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 60.65 58.93 2jvc s ILE 8 Cb 0.04 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2jvc s ILE 8 CO -0.07 -0.43 -0.03 -0.36 0.00 0.00 0.00 174.94 174.05 2jvc s PHE 9 N -2.19 3.00 -0.14 3.97 0.08 0.12 -1.69 117.98 121.13 2jvc s PHE 9 Ca 0.09 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2jvc s PHE 9 Cb -0.05 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 2jvc s PHE 9 CO 0.03 -0.24 -0.16 0.08 -0.10 0.00 0.00 175.22 174.83 2jvc s VAL 10 N 0.87 2.71 -0.32 -0.44 1.01 -0.09 -2.06 120.40 122.09 2jvc s VAL 10 Ca -0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2jvc s VAL 10 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2jvc s VAL 10 CO 0.02 0.53 0.12 -0.75 0.00 0.00 0.00 175.10 175.02 2jvc s LYS 11 N 0.57 3.09 0.72 2.72 2.20 -0.89 -1.65 119.74 126.50 2jvc s LYS 11 Ca -0.10 -0.88 -0.11 0.00 -0.36 0.00 0.00 55.97 54.53 2jvc s LYS 11 Cb -0.16 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2jvc s LYS 11 CO 0.04 -0.49 1.07 0.95 -0.36 0.00 0.00 175.35 176.55 2jvc s THR 12 N 1.54 3.80 0.51 3.43 -4.23 -0.86 0.67 115.64 120.50 2jvc s THR 12 Ca 0.03 0.59 0.39 0.00 -1.18 0.00 0.00 61.69 61.51 2jvc s THR 12 Cb -0.18 -3.25 0.39 0.00 1.34 0.00 0.00 72.50 70.80 2jvc s THR 12 CO 0.04 -0.76 2.18 0.25 -0.54 0.00 0.00 174.62 175.79 2jvc h LEU 13 N -0.85 0.00 -1.18 4.79 5.85 -1.75 0.26 115.31 122.42 2jvc h LEU 13 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jvc h LEU 13 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2jvc h LEU 13 CO 0.55 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.00 2jvc n THR 14 N -2.90 0.34 -2.44 1.05 -2.24 -1.26 -4.93 114.28 101.90 2jvc n THR 14 Ca -0.03 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.28 2jvc n THR 14 Cb 0.11 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.09 0.04 3.05 3.38 0.00 0.90 -5.05 105.19 108.61 2jvc n GLY 15 Ca 0.14 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.07 2.50 -0.28 1.61 2.36 -1.24 -4.91 119.74 115.72 2jvc s LYS 16 Ca 0.11 -0.64 -0.21 0.00 -2.55 0.00 0.00 55.97 52.68 2jvc s LYS 16 Cb -0.01 -2.23 -0.01 0.00 -1.05 0.00 0.00 37.83 34.52 2jvc s LYS 16 CO 0.32 -0.21 0.66 0.95 1.55 0.00 0.00 175.35 178.62 2jvc s THR 17 N 1.39 4.94 0.02 3.43 -4.23 -1.26 -2.02 115.64 117.91 2jvc s THR 17 Ca 0.04 1.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 2jvc s THR 17 Cb -0.13 -3.99 -0.02 0.00 1.34 0.00 0.00 72.50 69.70 2jvc s THR 17 CO -0.11 -0.07 -0.20 -0.51 -0.54 0.00 0.00 174.62 173.20 2jvc s ILE 18 N 2.61 1.57 -0.06 2.99 2.07 -0.66 -4.98 121.20 124.76 2jvc s ILE 18 Ca 0.27 -1.05 0.04 0.00 -1.41 0.00 0.00 60.65 58.50 2jvc s ILE 18 Cb -0.15 -1.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.07 2jvc s ILE 18 CO 0.10 0.28 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.35 2jvc s THR 19 N -0.67 2.86 -0.05 4.00 2.01 -1.26 -0.91 115.64 121.61 2jvc s THR 19 Ca 0.07 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 2jvc s THR 19 Cb -0.08 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2jvc s THR 19 CO 0.01 0.58 0.11 0.27 -0.69 0.00 0.00 174.62 174.90 2jvc s ILE 20 N -0.55 -0.04 -0.19 1.82 -4.36 -0.68 -4.96 121.20 112.24 2jvc s ILE 20 Ca 0.08 0.15 -0.27 0.00 -0.26 0.00 0.00 60.65 60.35 2jvc s ILE 20 Cb -0.11 -0.19 -0.01 0.00 1.25 0.00 0.00 42.46 43.40 2jvc s ILE 20 CO 0.01 0.06 0.91 1.51 0.24 0.00 0.00 174.94 177.68 2jvc s ASP 21 N 0.93 7.02 0.17 4.36 -4.77 -1.26 -0.37 116.67 122.74 2jvc s ASP 21 Ca -0.07 1.26 0.02 0.00 -3.30 0.00 0.00 52.55 50.46 2jvc s ASP 21 Cb -0.10 -2.49 -0.05 0.00 -1.09 0.00 0.00 42.92 39.20 2jvc s ASP 21 CO -0.04 -0.50 -0.01 0.68 0.70 0.00 0.00 175.17 176.00 2jvc s VAL 22 N 2.51 0.71 0.16 2.11 -7.23 0.36 -4.92 120.40 114.10 2jvc s VAL 22 Ca 0.41 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2jvc s VAL 22 Cb -0.16 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2jvc s VAL 22 CO 0.11 -0.52 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.42 2jvc s ASP 23 N -3.16 4.03 0.42 4.85 1.01 -1.26 -1.28 116.67 121.28 2jvc s ASP 23 Ca 0.22 -0.61 0.28 0.00 0.71 0.00 0.00 52.55 53.16 2jvc s ASP 23 Cb 0.06 -0.60 1.54 0.00 1.01 0.00 0.00 42.92 44.92 2jvc s ASP 23 CO 0.03 0.13 1.87 1.12 0.21 0.00 0.00 175.17 178.53 2jvc h HIS 24 N 3.21 0.00 -0.17 4.23 2.07 -1.96 0.13 115.15 122.65 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 -1.87 2.51 -2.91 6.11 0.00 -1.26 -4.09 120.51 119.00 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 0.05 -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 -3.93 0.00 9.92 0.43 -5.06 116.55 117.99 2jvc n ASP 26 Ca 0.12 -0.92 -0.09 0.00 -0.53 0.00 0.00 54.79 53.37 2jvc n ASP 26 Cb 0.22 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.63 2jvc n ASP 26 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jvc s THR 27 N 1.07 0.10 0.16 -3.53 -4.23 -1.26 -4.29 115.64 103.66 2jvc s THR 27 Ca 0.00 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2jvc s THR 27 Cb 0.00 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.25 2jvc s THR 27 CO 0.00 -0.46 1.70 0.58 -0.54 0.00 0.00 174.62 175.91 2jvc h VAL 28 N 2.65 0.72 -0.46 2.29 2.07 -0.59 -1.88 116.25 121.06 2jvc h VAL 28 Ca -0.33 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.24 2jvc h VAL 28 Cb 1.21 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 2jvc h VAL 28 CO 0.52 0.02 -0.12 1.23 0.02 0.00 0.00 177.57 179.25 2jvc h GLY 29 N 0.12 0.33 1.01 2.17 0.00 -1.75 -0.08 103.07 104.87 2jvc h GLY 29 Ca 0.19 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2jvc h GLY 29 CO -0.31 -0.18 0.57 0.00 0.00 0.00 0.00 176.54 176.62 2jvc h ALA 30 N 1.46 1.08 -0.66 3.60 0.00 -1.74 -2.51 119.26 120.49 2jvc h ALA 30 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jvc h ALA 30 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jvc h ALA 30 CO -0.47 0.49 0.37 0.28 0.00 0.00 0.00 179.25 179.92 2jvc h VAL 31 N 1.16 1.20 -0.82 0.00 2.07 -0.43 -2.52 116.25 116.90 2jvc h VAL 31 Ca 0.31 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2jvc h VAL 31 Cb -0.13 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 2jvc h VAL 31 CO -0.07 0.22 0.48 0.11 0.02 0.00 0.00 177.57 178.33 2jvc h LYS 32 N 0.90 0.80 -0.75 1.57 6.56 -0.63 -1.40 116.57 123.62 2jvc h LYS 32 Ca 0.23 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2jvc h LYS 32 Cb 0.02 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.47 2jvc h LYS 32 CO -0.04 0.53 0.24 0.00 -2.06 0.00 0.00 179.45 178.13 2jvc h ALA 33 N 1.44 0.98 -0.50 3.86 0.00 -1.23 -1.66 119.26 122.15 2jvc h ALA 33 Ca 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jvc h ALA 33 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jvc h ALA 33 CO -0.23 0.65 0.32 -0.22 0.00 0.00 0.00 179.25 179.78 2jvc h LYS 34 N 1.11 0.67 -0.36 0.00 1.63 -0.88 -2.45 116.57 116.29 2jvc h LYS 34 Ca 0.24 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2jvc h LYS 34 Cb 0.29 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2jvc h LYS 34 CO -0.01 0.46 -0.17 0.82 -3.45 0.00 0.00 179.45 177.11 2jvc h ILE 35 N 0.68 1.26 -0.56 2.00 1.08 -1.16 -1.72 117.51 119.08 2jvc h ILE 35 Ca 0.18 -1.20 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 2jvc h ILE 35 Cb -0.05 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 2jvc h ILE 35 CO -0.04 0.40 0.28 0.22 -0.69 0.00 0.00 178.15 178.32 2jvc h TYR 36 N 0.59 0.51 -0.00 1.37 3.20 -0.85 -1.85 116.97 119.93 2jvc h TYR 36 Ca 0.10 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 2jvc h TYR 36 Cb 0.62 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2jvc h TYR 36 CO 0.03 0.23 -0.78 0.22 -1.64 0.00 0.00 178.16 176.22 2jvc h ASP 37 N 0.53 0.09 -0.58 -2.11 1.82 -1.34 0.80 116.42 115.63 2jvc h ASP 37 Ca 0.25 -0.06 0.09 0.00 -0.39 0.00 0.00 57.03 56.92 2jvc h ASP 37 Cb 0.18 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.10 2jvc h ASP 37 CO -0.19 0.83 0.20 0.11 -1.61 0.00 0.00 179.24 178.58 2jvc h LYS 38 N 0.04 0.37 0.00 0.28 6.56 -0.48 -3.37 116.57 119.96 2jvc h LYS 38 Ca -0.02 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.47 2jvc h LYS 38 Cb 1.36 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.93 2jvc h LYS 38 CO 0.11 0.24 -0.98 -0.85 -2.06 0.00 0.00 179.45 175.90 2jvc n GLU 39 N -5.01 0.16 0.00 3.15 0.28 -1.01 -5.08 120.64 113.13 2jvc n GLU 39 Ca 0.08 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2jvc n GLU 39 Cb 0.26 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.36 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 2.68 0.74 3.43 -1.84 0.00 0.28 -5.09 105.19 105.39 2jvc n GLY 40 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.16 2.38 -0.18 -0.61 -4.36 -1.06 -5.03 121.20 112.17 2jvc s ILE 41 Ca 0.00 -2.11 -0.29 0.00 -0.26 0.00 0.00 60.65 57.99 2jvc s ILE 41 Cb 0.00 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 2jvc s ILE 41 CO 0.00 -0.17 1.59 -2.16 0.24 0.00 0.00 174.94 174.43 2jvc s PRO 42 N -2.84 3.91 0.35 0.37 0.04 -1.26 -4.49 135.00 131.08 2jvc s PRO 42 Ca 0.23 1.76 0.14 0.00 0.04 0.00 0.00 61.00 63.17 2jvc s PRO 42 Cb -0.07 -4.00 0.65 0.00 0.04 0.00 0.00 34.50 31.12 2jvc s PRO 42 CO 0.11 -1.15 1.76 -1.00 0.04 0.00 0.00 177.00 176.75 2jvc h PRO 43 N 10.25 0.00 0.00 0.56 0.13 -1.90 -2.25 132.00 138.79 2jvc h PRO 43 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 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 0.43 0.00 0.22 -0.23 0.00 0.00 178.00 179.41 2jvc h ASP 44 N 0.00 0.00 0.00 1.44 3.58 -1.96 -3.07 116.42 116.40 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 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2jvc h ASP 44 CO 0.06 0.00 -1.24 0.00 -2.88 0.00 0.00 179.24 175.18 2jvc n GLN 45 N -2.49 0.22 -4.06 0.28 6.02 -1.01 -4.95 117.38 111.39 2jvc n GLN 45 Ca 0.04 -0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2jvc n GLN 45 Cb 0.41 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 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 -3.11 2.91 0.05 -1.09 1.03 -0.88 -2.45 119.66 116.12 2jvc s GLN 46 Ca 0.04 -0.75 -0.01 0.00 0.04 0.00 0.00 55.36 54.68 2jvc s GLN 46 Cb 0.15 -2.71 -0.03 0.00 0.03 0.00 0.00 33.01 30.45 2jvc s GLN 46 CO 0.87 0.54 -0.02 1.03 -2.54 0.00 0.00 175.29 175.17 2jvc s ARG 47 N -2.68 0.57 0.05 9.60 1.81 0.32 -4.89 118.95 123.73 2jvc s ARG 47 Ca 0.30 -1.11 0.02 0.00 -1.72 0.00 0.00 55.73 53.22 2jvc s ARG 47 Cb -0.11 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.55 2jvc s ARG 47 CO 0.23 -0.11 0.08 -0.51 -0.68 0.00 0.00 175.30 174.31 2jvc s LEU 48 N -2.68 3.84 -0.03 2.53 2.01 -1.26 -0.77 118.68 122.32 2jvc s LEU 48 Ca 0.03 0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.22 2jvc s LEU 48 Cb 0.05 -2.42 0.03 0.00 0.01 0.00 0.00 46.19 43.86 2jvc s LEU 48 CO -0.09 0.21 0.04 -0.63 1.01 0.00 0.00 176.35 176.89 2jvc s ILE 49 N -1.32 -0.07 -0.28 -0.59 1.09 0.93 -1.46 121.20 119.50 2jvc s ILE 49 Ca 0.27 0.28 0.02 0.00 -1.10 0.00 0.00 60.65 60.12 2jvc s ILE 49 Cb -0.12 -0.10 0.06 0.00 -1.06 0.00 0.00 42.46 41.24 2jvc s ILE 49 CO 0.19 0.11 -0.07 0.12 -0.10 0.00 0.00 174.94 175.20 2jvc s PHE 50 N 1.38 3.32 0.00 3.97 5.36 0.11 -1.84 117.98 130.28 2jvc s PHE 50 Ca -0.05 -2.28 0.00 0.00 -0.96 0.00 0.00 56.93 53.64 2jvc s PHE 50 Cb -0.13 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 2jvc s PHE 50 CO -0.03 -0.87 0.00 0.41 -1.46 0.00 0.00 175.22 173.27 2jvc n GLY 51 N 4.46 1.14 0.00 13.12 0.00 -1.26 -2.75 105.19 119.90 2jvc n GLY 51 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 1.29 3.87 -0.02 0.00 -1.26 -5.12 105.19 101.95 2jvc n GLY 52 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.78 0.80 1.61 0.00 -1.11 -5.01 119.74 119.82 2jvc s LYS 53 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 55.97 56.06 2jvc s LYS 53 Cb 0.00 -2.94 0.07 0.00 0.00 0.00 0.00 37.83 34.96 2jvc s LYS 53 CO 0.00 0.52 1.09 -0.65 0.00 0.00 0.00 175.35 176.30 2jvc s GLN 54 N -2.07 2.02 -0.17 1.78 1.11 -1.26 0.08 119.66 121.15 2jvc s GLN 54 Ca 0.36 0.85 -0.02 0.00 0.01 0.00 0.00 55.36 56.56 2jvc s GLN 54 Cb -0.14 -1.89 -0.01 0.00 -1.01 0.00 0.00 33.01 29.96 2jvc s GLN 54 CO 0.19 -1.72 -0.10 -0.51 0.01 0.00 0.00 175.29 173.17 2jvc s LEU 55 N -5.90 2.78 0.00 2.90 1.43 -0.53 -4.76 118.68 114.60 2jvc s LEU 55 Ca 0.61 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 2jvc s LEU 55 Cb -0.16 -1.66 0.16 0.00 0.03 0.00 0.00 46.19 44.56 2jvc s LEU 55 CO 0.56 0.08 0.49 1.21 0.23 0.00 0.00 176.35 178.91 2jvc n GLU 56 N 4.10 -2.46 0.15 1.70 4.07 -1.26 -4.67 120.64 122.27 2jvc n GLU 56 Ca -0.18 -0.79 0.02 0.00 -0.06 0.00 0.00 57.16 56.15 2jvc n GLU 56 Cb 0.52 -0.82 0.21 0.00 -0.06 0.00 0.00 31.44 31.29 2jvc n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2jvc h ASP 57 N -2.13 0.00 -0.15 4.31 3.32 -2.00 -3.13 116.42 116.64 2jvc h ASP 57 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2jvc h ASP 57 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2jvc h ASP 57 CO 0.12 0.52 0.00 -0.24 -1.72 0.00 0.00 179.24 177.92 2jvc n SER 58 N -3.56 2.34 -4.51 6.45 2.88 -1.26 0.12 113.62 116.08 2jvc n SER 58 Ca -0.00 -1.68 -0.43 0.00 -1.33 0.00 0.00 58.87 55.42 2jvc n SER 58 Cb 0.61 -0.09 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.96 6.94 0.00 -3.46 2.47 -1.18 -3.66 114.94 115.08 2jvc s ASN 59 Ca 0.17 -2.68 0.00 0.00 0.42 0.00 0.00 52.86 50.78 2jvc s ASN 59 Cb 0.11 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 2jvc s ASN 59 CO 0.15 -0.95 0.00 0.00 -3.72 0.00 0.00 177.10 172.57 2jvc n ALA 60 N 6.86 0.00 0.18 1.71 0.00 -1.26 -4.46 120.51 123.54 2jvc n ALA 60 Ca 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 2jvc n ALA 60 Cb 0.45 0.00 -0.04 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 -0.51 -0.53 0.00 2.86 -1.78 -2.98 114.93 111.99 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 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2jvc h MET 61 CO 0.00 -0.34 0.35 1.03 1.06 0.00 0.00 176.91 179.02 2jvc h SER 62 N -1.06 0.44 -0.03 1.22 0.87 -1.71 0.18 113.55 113.46 2jvc h SER 62 Ca -0.05 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2jvc h SER 62 Cb 0.40 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2jvc h SER 62 CO 0.09 0.29 0.05 -0.78 -0.53 0.00 0.00 176.83 175.95 2jvc h ASP 63 N 0.50 0.00 -2.43 6.23 3.58 -1.63 -3.46 116.42 119.21 2jvc h ASP 63 Ca 0.23 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 2jvc h ASP 63 Cb 0.27 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.35 2jvc h ASP 63 CO -0.06 0.00 -0.17 -1.22 -2.88 0.00 0.00 179.24 174.91 2jvc n TYR 64 N -3.47 -0.61 -1.31 0.28 4.01 0.05 -4.96 117.16 111.15 2jvc n TYR 64 Ca -0.02 0.23 0.02 0.00 -0.16 0.00 0.00 57.90 57.97 2jvc n TYR 64 Cb 0.13 -2.27 0.03 0.00 -0.31 0.00 0.00 39.34 36.92 2jvc n TYR 64 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jvc n ASN 65 N -0.37 0.73 -4.69 7.72 5.15 -1.13 -5.06 115.26 117.62 2jvc n ASN 65 Ca -0.03 -1.97 -0.39 0.00 -0.60 0.00 0.00 54.58 51.58 2jvc n ASN 65 Cb 0.52 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.54 2jvc n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jvc s VAL 66 N -0.72 5.08 0.38 3.44 0.11 -1.23 -5.00 120.40 122.46 2jvc s VAL 66 Ca 0.07 1.16 0.01 0.00 -2.93 0.00 0.00 61.98 60.28 2jvc s VAL 66 Cb 0.06 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.98 2jvc s VAL 66 CO 0.01 0.20 0.03 0.00 -3.33 0.00 0.00 175.10 172.01 2jvc n GLN 67 N 4.41 0.93 0.14 1.54 10.64 -1.26 -5.04 117.38 128.74 2jvc n GLN 67 Ca -0.03 -2.90 -0.00 0.00 -1.83 0.00 0.00 57.00 52.23 2jvc n GLN 67 Cb 0.51 0.97 0.25 0.00 -0.86 0.00 0.00 30.24 31.11 2jvc n GLN 67 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2jvc h LYS 68 N 0.00 0.09 -1.69 2.61 1.63 -1.94 -3.23 116.57 114.03 2jvc h LYS 68 Ca -0.32 -0.04 -0.43 0.00 -0.85 0.00 0.00 60.65 59.01 2jvc h LYS 68 Cb 1.01 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 32.34 2jvc h LYS 68 CO 0.52 0.53 -0.82 0.39 -3.45 0.00 0.00 179.45 176.62 2jvc n GLU 69 N -3.99 0.43 -3.28 1.90 1.02 -1.10 -2.76 120.64 112.86 2jvc n GLU 69 Ca -0.02 -2.73 -0.38 0.00 -0.02 0.00 0.00 57.16 54.01 2jvc n GLU 69 Cb 0.49 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 2jvc n GLU 69 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jvc s SER 70 N -0.11 6.67 -0.35 1.62 0.15 -1.25 -4.85 113.70 115.57 2jvc s SER 70 Ca 0.32 0.79 -0.18 0.00 0.70 0.00 0.00 55.95 57.59 2jvc s SER 70 Cb 0.07 -2.30 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2jvc s SER 70 CO -0.15 -0.06 0.50 0.42 1.20 0.00 0.00 173.24 175.15 2jvc s THR 71 N 0.94 5.03 0.11 6.45 -4.23 -1.26 0.11 115.64 122.79 2jvc s THR 71 Ca 0.26 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 2jvc s THR 71 Cb -0.15 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2jvc s THR 71 CO 0.10 -0.22 -0.15 -1.48 -0.54 0.00 0.00 174.62 172.33 2jvc s LEU 72 N 2.35 2.36 -0.27 4.79 0.05 -0.87 -4.98 118.68 122.12 2jvc s LEU 72 Ca 0.18 -0.75 -0.13 0.00 0.05 0.00 0.00 54.13 53.47 2jvc s LEU 72 Cb -0.16 -0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 43.33 2jvc s LEU 72 CO 0.13 -0.09 0.30 -1.00 -0.55 0.00 0.00 176.35 175.14 2jvc s HIS 73 N -1.79 3.25 -0.27 3.48 3.76 -0.76 -2.10 115.29 120.86 2jvc s HIS 73 Ca 0.06 0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 55.20 2jvc s HIS 73 Cb -0.07 -2.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 2jvc s HIS 73 CO 0.03 -0.17 0.11 -1.17 -0.85 0.00 0.00 174.74 172.69 2jvc s LEU 74 N 1.85 3.73 -0.19 0.89 2.96 0.21 -0.05 118.68 128.08 2jvc s LEU 74 Ca 0.12 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2jvc s LEU 74 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jvc s LEU 74 CO 0.10 -0.09 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.30 2jvc s VAL 75 N 1.63 3.58 -0.03 1.68 1.01 0.05 -2.02 120.40 126.29 2jvc s VAL 75 Ca 0.06 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2jvc s VAL 75 Cb -0.16 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2jvc s VAL 75 CO 0.05 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.64 2jvc s LEU 76 N 1.00 2.00 -0.77 3.92 1.02 -1.26 -0.53 118.68 124.06 2jvc s LEU 76 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.80 2jvc s LEU 76 Cb -0.15 -1.07 0.29 0.00 0.02 0.00 0.00 46.19 45.28 2jvc s LEU 76 CO 0.01 0.22 1.06 -2.11 0.02 0.00 0.00 176.35 175.54 2jvc n ARG 77 N 2.83 3.41 0.09 1.70 0.00 -1.02 -4.84 116.66 118.81 2jvc n ARG 77 Ca -0.16 -4.69 0.02 0.00 -0.00 0.00 0.00 57.85 53.02 2jvc n ARG 77 Cb 0.53 -2.34 0.36 0.00 -0.00 0.00 0.00 32.46 31.01 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 4.25 0.29 -2.14 2.89 4.07 -1.97 -2.17 115.31 120.54 2jvc h LEU 78 Ca 0.22 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.16 2jvc h LEU 78 Cb 0.59 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 2jvc h LEU 78 CO 0.99 0.44 0.11 -0.09 -1.08 0.00 0.00 178.44 178.80 2jvc h ARG 79 N 0.29 0.00 0.00 1.13 9.65 -1.98 -3.24 114.38 120.23 2jvc h ARG 79 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2jvc h ARG 79 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2jvc h ARG 79 CO 0.02 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.20 2jvc n GLY 80 N -1.49 -0.36 0.90 2.80 0.00 -0.82 -5.06 105.19 101.16 2jvc n GLY 80 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.51 -2.69 0.23 -0.02 0.00 -1.22 -5.19 105.19 97.81 2jvc n GLY 81 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.82 2jvc n GLY 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87