#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvr n MET 1 N 0.00 3.84 0.00 1.57 0.00 -1.26 -4.58 117.12 116.69 1jvr n MET 1 Ca 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 57.70 53.27 1jvr n MET 1 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 33.22 30.90 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jvr n GLY 2 N -0.30 -0.18 3.91 -5.12 0.00 -1.26 -5.11 105.19 97.12 1jvr n GLY 2 Ca 0.43 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1jvr n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jvr s GLN 3 N 0.00 3.58 0.00 1.61 -0.44 -1.26 -4.47 119.66 118.68 1jvr s GLN 3 Ca 0.00 -0.04 0.00 0.00 -2.50 0.00 0.00 55.36 52.82 1jvr s GLN 3 Cb 0.00 -2.59 0.00 0.00 -1.64 0.00 0.00 33.01 28.78 1jvr s GLN 3 CO 0.00 0.11 0.00 -0.89 0.50 0.00 0.00 175.29 175.01 1jvr n ILE 4 N -1.41 0.00 0.06 -2.34 2.08 -1.26 -5.05 119.36 111.44 1jvr n ILE 4 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1jvr n ILE 4 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 1jvr n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jvr n HIS 5 N -1.95 -0.86 -2.93 1.39 1.44 -1.26 -5.00 115.22 106.04 1jvr n HIS 5 Ca 0.00 0.15 -0.14 0.00 -2.01 0.00 0.00 57.72 55.72 1jvr n HIS 5 Cb 0.00 0.30 0.01 0.00 0.12 0.00 0.00 29.99 30.42 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jvr n GLY 6 N 2.34 1.42 3.71 -1.39 0.00 -1.26 -5.13 105.19 104.88 1jvr n GLY 6 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1jvr n GLY 6 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jvr s LEU 7 N -1.31 0.28 0.00 0.99 0.05 -1.26 -5.06 118.68 112.37 1jvr s LEU 7 Ca 0.32 -1.16 0.00 0.00 0.05 0.00 0.00 54.13 53.35 1jvr s LEU 7 Cb 0.24 2.36 0.00 0.00 -2.05 0.00 0.00 46.19 46.74 1jvr s LEU 7 CO -0.15 -1.49 0.00 -0.24 -0.55 0.00 0.00 176.35 173.91 1jvr n SER 8 N -1.20 0.00 -3.71 1.48 2.88 -1.26 -4.61 113.62 107.19 1jvr n SER 8 Ca -0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.20 1jvr n SER 8 Cb 0.60 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.29 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jvr n PRO 9 N 0.00 -2.18 -4.21 -1.46 -0.04 -1.26 -4.84 135.00 121.01 1jvr n PRO 9 Ca 0.00 -1.88 -0.27 0.00 -0.04 0.00 0.00 63.50 61.31 1jvr n PRO 9 Cb 0.00 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 1jvr n PRO 9 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1jvr s THR 10 N -3.42 3.68 -0.07 0.52 -1.32 -1.26 -5.06 115.64 108.71 1jvr s THR 10 Ca 0.72 -1.43 -0.18 0.00 -1.21 0.00 0.00 61.69 59.59 1jvr s THR 10 Cb -0.04 -2.85 -0.14 0.00 -1.51 0.00 0.00 72.50 67.96 1jvr s THR 10 CO 0.53 -0.10 0.69 1.55 -2.21 0.00 0.00 174.62 175.08 1jvr h PRO 11 N 2.76 -0.17 -4.24 7.08 0.13 -1.98 -3.47 132.00 132.10 1jvr h PRO 11 Ca -0.47 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1jvr h PRO 11 Cb 1.20 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 1jvr h PRO 11 CO 0.58 0.25 -0.70 0.96 -0.23 0.00 0.00 178.00 178.86 1jvr s ILE 12 N -2.93 0.29 0.85 -3.56 -5.25 -1.26 -5.16 121.20 104.18 1jvr s ILE 12 Ca -0.11 -1.36 -0.12 0.00 -0.99 0.00 0.00 60.65 58.07 1jvr s ILE 12 Cb -0.00 -0.91 0.10 0.00 2.95 0.00 0.00 42.46 44.60 1jvr s ILE 12 CO 0.41 -0.69 1.12 -2.16 -1.79 0.00 0.00 174.94 171.82 1jvr s PRO 13 N -2.59 1.63 -0.18 0.37 0.04 -1.26 -3.92 135.00 129.09 1jvr s PRO 13 Ca -0.04 0.47 -0.05 0.00 0.04 0.00 0.00 61.00 61.42 1jvr s PRO 13 Cb -0.02 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1jvr s PRO 13 CO -0.04 -1.90 0.09 1.17 0.04 0.00 0.00 177.00 176.36 1jvr n LYS 14 N -3.59 -2.96 -3.22 4.56 0.00 -1.26 -4.45 118.16 107.24 1jvr n LYS 14 Ca 0.07 2.42 -0.04 0.00 0.00 0.00 0.00 58.31 60.75 1jvr n LYS 14 Cb 0.58 -4.08 0.00 0.00 0.00 0.00 0.00 35.03 31.54 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr n ALA 15 N 0.88 -2.03 0.34 3.14 0.00 -1.26 -4.47 120.51 117.11 1jvr n ALA 15 Ca -0.16 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1jvr n ALA 15 Cb 0.24 -0.69 0.44 0.00 0.00 0.00 0.00 19.45 19.45 1jvr n ALA 15 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 16 N 3.42 0.00 -5.14 0.00 0.13 -1.81 -3.41 132.00 125.19 1jvr h PRO 16 Ca -0.06 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.84 1jvr h PRO 16 Cb 1.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1jvr h PRO 16 CO 0.03 0.00 0.68 2.89 -0.23 0.00 0.00 178.00 181.37 1jvr n ARG 17 N -2.80 0.63 -4.08 0.86 1.85 -1.26 -4.82 116.66 107.04 1jvr n ARG 17 Ca 0.03 -1.84 -0.12 0.00 -1.00 0.00 0.00 57.85 54.92 1jvr n ARG 17 Cb 0.39 -3.61 -0.11 0.00 -1.05 0.00 0.00 32.46 28.08 1jvr n ARG 17 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1jvr s GLY 18 N 7.47 0.54 0.00 2.89 0.00 -1.26 -4.99 107.32 111.97 1jvr s GLY 18 Ca 0.74 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1jvr s GLY 18 CO 0.19 -0.98 0.00 1.04 0.00 0.00 0.00 173.10 173.36 1jvr n LEU 19 N 1.06 0.00 0.00 0.66 4.77 -1.26 -4.85 117.00 117.38 1jvr n LEU 19 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1jvr n LEU 19 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1jvr n LEU 19 CO 0.23 -1.04 0.00 -0.24 -1.33 0.00 0.00 177.39 175.01 1jvr n SER 20 N -3.31 0.00 0.00 -1.43 2.88 -1.26 -4.10 113.62 106.41 1jvr n SER 20 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jvr n SER 20 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jvr n THR 21 N 0.00 0.00 0.26 2.46 -1.04 -1.26 -4.68 114.28 110.01 1jvr n THR 21 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1jvr n THR 21 Cb 0.00 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.17 1jvr n THR 21 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1jvr h HIS 22 N 0.00 0.00 0.00 -1.42 -0.00 -1.95 1.92 115.15 113.70 1jvr h HIS 22 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1jvr h HIS 22 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1jvr h HIS 22 CO 0.00 0.00 -1.40 1.58 -0.00 0.00 0.00 177.93 178.11 1jvr n HIS 23 N -2.54 0.00 -0.18 6.12 -0.00 -1.26 -4.48 115.22 112.88 1jvr n HIS 23 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.62 1jvr n HIS 23 Cb 0.30 -0.27 0.01 0.00 -0.00 0.00 0.00 29.99 30.03 1jvr n HIS 23 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1jvr h TRP 24 N -0.05 0.83 -0.86 1.57 -0.00 -1.64 -1.73 115.95 114.08 1jvr h TRP 24 Ca -0.16 -0.09 0.19 0.00 -0.00 0.00 0.00 58.89 58.83 1jvr h TRP 24 Cb 1.23 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 30.09 1jvr h TRP 24 CO 0.00 0.73 0.57 1.25 -0.00 0.00 0.00 178.44 180.99 1jvr h LEU 25 N 0.70 0.38 -2.16 0.65 5.85 0.27 1.76 115.31 122.76 1jvr h LEU 25 Ca 0.16 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1jvr h LEU 25 Cb 0.30 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1jvr h LEU 25 CO -0.00 0.16 0.00 -1.13 -0.34 0.00 0.00 178.44 177.13 1jvr h ASN 26 N 0.38 0.00 0.00 1.25 -1.24 -1.45 -0.28 115.58 114.25 1jvr h ASN 26 Ca 0.44 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.13 1jvr h ASN 26 Cb 1.12 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.11 1jvr h ASN 26 CO -0.15 0.00 -2.23 0.33 -1.29 0.00 0.00 177.43 174.09 1jvr n PHE 27 N -3.00 0.00 0.27 0.67 7.35 0.52 -3.98 117.46 119.28 1jvr n PHE 27 Ca -0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.80 1jvr n PHE 27 Cb 0.18 -0.83 0.75 0.00 0.35 0.00 0.00 39.48 39.93 1jvr n PHE 27 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1jvr h LEU 28 N -0.01 0.00 0.17 -2.13 5.85 0.11 0.46 115.31 119.76 1jvr h LEU 28 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1jvr h LEU 28 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1jvr h LEU 28 CO -0.08 0.06 -0.08 1.56 -0.34 0.00 0.00 178.44 179.56 1jvr h GLN 29 N 0.00 -0.22 -0.92 1.25 4.20 -1.25 -1.94 115.11 116.23 1jvr h GLN 29 Ca -0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1jvr h GLN 29 Cb 0.14 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 1jvr h GLN 29 CO 0.01 0.15 0.56 0.00 -0.67 0.00 0.00 178.83 178.89 1jvr h ALA 30 N -0.51 1.33 -0.47 3.87 0.00 -1.61 0.24 119.26 122.12 1jvr h ALA 30 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jvr h ALA 30 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jvr h ALA 30 CO 0.04 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.66 1jvr h ALA 31 N 1.48 1.39 0.00 0.00 0.00 -0.97 -0.73 119.26 120.43 1jvr h ALA 31 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jvr h ALA 31 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jvr h ALA 31 CO -0.23 0.45 0.00 -0.92 0.00 0.00 0.00 179.25 178.55 1jvr h TYR 32 N 0.67 0.00 -0.00 0.00 5.03 0.16 -2.70 116.97 120.13 1jvr h TYR 32 Ca 0.16 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1jvr h TYR 32 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.47 1jvr h TYR 32 CO 0.01 0.00 -0.16 -2.13 -1.32 0.00 0.00 178.16 174.56 1jvr n ARG 33 N -2.99 0.59 0.00 1.82 0.63 0.37 -4.67 116.66 112.41 1jvr n ARG 33 Ca 0.03 -0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1jvr n ARG 33 Cb 0.43 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1jvr n LEU 34 N -1.00 0.00 -3.60 6.15 4.77 -0.96 -4.98 117.00 117.37 1jvr n LEU 34 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.77 1jvr n LEU 34 Cb 0.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1jvr n LEU 34 CO 0.25 0.00 -0.26 0.00 -1.33 0.00 0.00 177.39 176.06 1jvr n GLN 35 N 0.00 -1.80 -0.88 3.23 10.64 -1.24 -4.69 117.38 122.65 1jvr n GLN 35 Ca 0.00 1.20 -0.20 0.00 -1.83 0.00 0.00 57.00 56.17 1jvr n GLN 35 Cb 0.00 -2.21 -0.07 0.00 -0.86 0.00 0.00 30.24 27.10 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1jvr n PRO 36 N -1.07 2.21 0.00 2.61 -0.04 -1.26 -4.68 135.00 132.77 1jvr n PRO 36 Ca -0.17 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1jvr n PRO 36 Cb 0.69 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1jvr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 37 N 3.21 1.60 3.70 0.55 0.00 -1.26 -5.00 105.19 107.98 1jvr n GLY 37 Ca 0.47 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1jvr n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jvr s PRO 38 N 0.00 4.38 0.00 1.61 0.04 -1.26 -4.93 135.00 134.84 1jvr s PRO 38 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1jvr s PRO 38 Cb 0.00 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1jvr s PRO 38 CO 0.00 -0.37 0.00 -1.13 0.04 0.00 0.00 177.00 175.54 1jvr n SER 39 N 4.73 0.00 0.00 6.66 3.41 -1.26 -4.84 113.62 122.31 1jvr n SER 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1jvr n SER 39 Cb 0.46 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jvr n SER 39 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jvr n ASP 40 N -2.19 0.00 0.00 4.04 2.03 -1.26 -3.96 116.55 115.21 1jvr n ASP 40 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jvr n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jvr n PHE 41 N 0.00 -0.86 -2.39 -0.67 3.01 -1.26 -5.03 117.46 110.26 1jvr n PHE 41 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1jvr n PHE 41 Cb 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1jvr n ASP 42 N -1.64 -3.98 -0.00 4.37 4.64 -1.25 -4.88 116.55 113.81 1jvr n ASP 42 Ca 0.00 -0.06 0.02 0.00 -1.38 0.00 0.00 54.79 53.37 1jvr n ASP 42 Cb 0.00 -3.08 -0.03 0.00 -1.04 0.00 0.00 41.12 36.97 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1jvr n PHE 43 N -4.00 0.00 0.08 -0.67 3.72 -1.26 -4.55 117.46 110.78 1jvr n PHE 43 Ca -0.12 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 1jvr n PHE 43 Cb 0.60 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1jvr h GLN 44 N 0.00 -0.24 0.00 -1.08 4.15 -1.98 0.43 115.11 116.39 1jvr h GLN 44 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1jvr h GLN 44 Cb 0.14 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1jvr h GLN 44 CO 0.00 0.14 0.00 0.94 -1.93 0.00 0.00 178.83 177.98 1jvr n GLN 45 N -5.01 0.02 -0.10 1.69 -0.06 -1.26 -1.63 117.38 111.03 1jvr n GLN 45 Ca -0.09 0.42 -0.14 0.00 -2.00 0.00 0.00 57.00 55.19 1jvr n GLN 45 Cb 0.25 -1.56 -0.06 0.00 -4.06 0.00 0.00 30.24 24.82 1jvr n GLN 45 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1jvr n LEU 46 N -1.60 1.88 0.30 1.69 4.77 -1.04 -3.69 117.00 119.32 1jvr n LEU 46 Ca 0.01 0.45 0.17 0.00 -0.03 0.00 0.00 56.01 56.61 1jvr n LEU 46 Cb 0.07 -0.84 0.85 0.00 -2.33 0.00 0.00 43.42 41.17 1jvr n LEU 46 CO 0.06 -0.06 1.14 -0.09 -1.33 0.00 0.00 177.39 177.11 1jvr h ARG 47 N -1.00 0.00 0.00 3.23 1.12 0.13 1.58 114.38 119.44 1jvr h ARG 47 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 1jvr h ARG 47 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 1jvr h ARG 47 CO -0.12 0.00 -0.59 0.07 -3.11 0.00 0.00 179.97 176.22 1jvr h ARG 48 N 0.00 0.00 0.01 0.20 0.11 -1.48 -3.03 114.38 110.19 1jvr h ARG 48 Ca 0.02 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.73 1jvr h ARG 48 Cb 0.65 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.66 1jvr h ARG 48 CO -0.00 0.00 -2.36 0.34 0.10 0.00 0.00 179.97 178.05 1jvr n PHE 49 N -2.24 0.13 0.08 4.08 7.35 0.49 -3.91 117.46 123.45 1jvr n PHE 49 Ca 0.03 0.04 -0.12 0.00 -0.76 0.00 0.00 57.45 56.64 1jvr n PHE 49 Cb 0.46 -1.02 -0.08 0.00 0.35 0.00 0.00 39.48 39.18 1jvr n PHE 49 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jvr h LEU 50 N 0.00 -0.20 -2.09 -2.13 3.38 -0.39 -2.50 115.31 111.38 1jvr h LEU 50 Ca -0.54 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.21 1jvr h LEU 50 Cb 2.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 1jvr h LEU 50 CO -0.01 0.26 0.30 0.07 0.09 0.00 0.00 178.44 179.15 1jvr h LYS 51 N -0.71 0.00 0.13 1.13 2.10 -1.75 0.19 116.57 117.66 1jvr h LYS 51 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1jvr h LYS 51 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1jvr h LYS 51 CO 0.04 0.00 -0.06 1.25 -2.00 0.00 0.00 179.45 178.68 1jvr h LEU 52 N 0.00 -0.15 -1.63 7.07 6.46 -1.62 -2.81 115.31 122.63 1jvr h LEU 52 Ca 0.16 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1jvr h LEU 52 Cb 0.76 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1jvr h LEU 52 CO -0.00 0.19 0.08 0.00 -0.62 0.00 0.00 178.44 178.09 1jvr h ALA 53 N 0.29 1.71 0.00 1.25 0.00 -0.61 0.22 119.26 122.13 1jvr h ALA 53 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jvr h ALA 53 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jvr h ALA 53 CO 0.03 0.23 0.00 -0.11 0.00 0.00 0.00 179.25 179.40 1jvr n LEU 54 N -4.43 0.25 0.00 0.00 7.94 -0.14 -0.42 117.00 120.21 1jvr n LEU 54 Ca 0.00 0.59 0.13 0.00 -1.11 0.00 0.00 56.01 55.63 1jvr n LEU 54 Cb 0.13 -0.59 0.73 0.00 0.53 0.00 0.00 43.42 44.22 1jvr n LEU 54 CO 0.36 -0.56 0.97 2.29 -1.11 0.00 0.00 177.39 179.33 1jvr n LYS 55 N -1.81 0.57 -3.37 1.96 2.85 0.78 -4.33 118.16 114.81 1jvr n LYS 55 Ca 0.01 0.02 -0.16 0.00 -1.05 0.00 0.00 58.31 57.13 1jvr n LYS 55 Cb 0.09 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.88 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1jvr s THR 56 N -2.35 -0.38 -1.14 0.58 -1.32 0.44 -5.05 115.64 106.43 1jvr s THR 56 Ca 0.32 -0.74 -0.15 0.00 -1.21 0.00 0.00 61.69 59.91 1jvr s THR 56 Cb 0.18 -0.83 -0.07 0.00 -1.51 0.00 0.00 72.50 70.28 1jvr s THR 56 CO 0.37 -0.52 2.20 -0.81 -2.21 0.00 0.00 174.62 173.66 1jvr n PRO 57 N 4.75 2.35 0.00 7.08 -0.04 -1.26 -3.89 135.00 144.00 1jvr n PRO 57 Ca 0.05 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1jvr n PRO 57 Cb 0.46 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 1jvr n PRO 57 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 58 N 5.03 0.00 0.03 0.52 0.13 -1.26 -4.43 119.36 119.39 1jvr n ILE 58 Ca 0.54 0.00 0.10 0.00 -1.10 0.00 0.00 62.75 62.28 1jvr n ILE 58 Cb 0.32 0.15 -0.10 0.00 -0.84 0.00 0.00 39.64 39.18 1jvr n ILE 58 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 1jvr n TRP 59 N -1.59 0.43 -0.03 9.51 4.27 -1.25 -3.97 117.44 124.81 1jvr n TRP 59 Ca 0.00 0.13 -0.13 0.00 -3.89 0.00 0.00 57.50 53.60 1jvr n TRP 59 Cb 0.11 -0.73 -0.11 0.00 -1.36 0.00 0.00 31.31 29.22 1jvr n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1jvr h LEU 60 N 0.00 0.01 -0.16 5.67 4.07 -1.83 0.49 115.31 123.56 1jvr h LEU 60 Ca -0.03 -0.67 0.04 0.00 0.08 0.00 0.00 57.88 57.30 1jvr h LEU 60 Cb 1.07 -0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.74 1jvr h LEU 60 CO 0.00 0.68 -0.50 0.78 -1.08 0.00 0.00 178.44 178.32 1jvr h ASN 61 N -0.66 -1.60 0.18 -0.43 4.21 -1.77 0.47 115.58 115.97 1jvr h ASN 61 Ca -0.00 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1jvr h ASN 61 Cb 0.68 0.64 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1jvr h ASN 61 CO 0.00 -0.46 0.00 -0.81 -1.29 0.00 0.00 177.43 174.87 1jvr n PRO 62 N -5.43 0.58 -2.60 0.81 -0.04 -1.25 -4.26 135.00 122.81 1jvr n PRO 62 Ca -0.05 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1jvr n PRO 62 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1jvr n PRO 62 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1jvr n ILE 63 N -1.12 -1.63 -3.18 0.52 0.13 0.17 -4.98 119.36 109.27 1jvr n ILE 63 Ca 0.15 0.37 0.05 0.00 -1.10 0.00 0.00 62.75 62.21 1jvr n ILE 63 Cb 0.12 -2.34 -0.02 0.00 -0.84 0.00 0.00 39.64 36.56 1jvr n ILE 63 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1jvr s ASP 64 N -0.79 -0.63 0.04 9.51 1.47 -0.88 -5.00 116.67 120.39 1jvr s ASP 64 Ca 0.02 0.44 0.07 0.00 1.18 0.00 0.00 52.55 54.26 1jvr s ASP 64 Cb -0.00 1.55 0.31 0.00 -0.34 0.00 0.00 42.92 44.43 1jvr s ASP 64 CO 0.04 -0.12 1.21 0.00 0.68 0.00 0.00 175.17 176.98 1jvr n TYR 65 N 5.41 0.09 0.33 2.11 4.19 -1.26 -1.88 117.16 126.15 1jvr n TYR 65 Ca -0.06 0.04 0.21 0.00 3.31 0.00 0.00 57.90 61.40 1jvr n TYR 65 Cb 0.53 -0.57 1.10 0.00 0.49 0.00 0.00 39.34 40.89 1jvr n TYR 65 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jvr h SER 66 N 0.00 0.00 0.57 2.98 4.64 -1.95 0.62 113.55 120.41 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jvr h SER 66 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1jvr h SER 66 CO 0.00 0.00 -1.23 -0.11 -0.87 0.00 0.00 176.83 174.62 1jvr n LEU 67 N -3.13 0.57 0.27 5.97 0.00 -0.79 -4.08 117.00 115.82 1jvr n LEU 67 Ca -0.03 0.13 -0.11 0.00 0.00 0.00 0.00 56.01 56.00 1jvr n LEU 67 Cb 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 43.42 43.45 1jvr n LEU 67 CO 0.20 -0.06 0.33 -0.07 0.00 0.00 0.00 177.39 177.78 1jvr h LEU 68 N 0.00 -0.62 -1.57 -1.96 3.38 0.09 -1.26 115.31 113.37 1jvr h LEU 68 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1jvr h LEU 68 Cb 0.90 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1jvr h LEU 68 CO 0.00 -0.28 0.62 0.00 0.09 0.00 0.00 178.44 178.87 1jvr h ALA 69 N -1.33 2.03 0.16 1.53 0.00 -1.66 1.19 119.26 121.17 1jvr h ALA 69 Ca -0.08 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1jvr h ALA 69 Cb 0.56 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jvr h ALA 69 CO 0.12 -0.81 -1.32 1.03 0.00 0.00 0.00 179.25 178.28 1jvr h SER 70 N 0.00 0.85 -0.70 0.00 0.87 -1.63 -3.26 113.55 109.67 1jvr h SER 70 Ca 0.17 -0.82 0.07 0.00 -1.23 0.00 0.00 61.79 59.98 1jvr h SER 70 Cb 1.41 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1jvr h SER 70 CO -0.00 1.63 0.38 -0.07 -0.53 0.00 0.00 176.83 178.24 1jvr h LEU 71 N 0.23 0.54 -6.97 2.23 4.07 0.26 -3.41 115.31 112.27 1jvr h LEU 71 Ca -0.21 0.04 -0.41 0.00 0.08 0.00 0.00 57.88 57.38 1jvr h LEU 71 Cb 2.00 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 43.59 1jvr h LEU 71 CO 0.25 0.33 1.58 -0.38 -1.08 0.00 0.00 178.44 179.15 1jvr n ILE 72 N -4.80 0.00 -2.35 1.22 5.41 -0.92 -4.75 119.36 113.16 1jvr n ILE 72 Ca 0.10 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 63.33 1jvr n ILE 72 Cb 0.22 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 38.78 1jvr n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1jvr s PRO 73 N 7.48 3.55 0.11 0.38 0.04 -1.26 -4.54 135.00 140.76 1jvr s PRO 73 Ca 1.18 0.90 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1jvr s PRO 73 Cb -1.02 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1jvr s PRO 73 CO 0.44 -1.60 0.00 1.63 0.04 0.00 0.00 177.00 177.51 1jvr n LYS 74 N 8.12 -3.28 -1.12 4.56 4.76 -1.26 -4.73 118.16 125.22 1jvr n LYS 74 Ca 0.16 2.53 -0.45 0.00 -2.87 0.00 0.00 58.31 57.68 1jvr n LYS 74 Cb 0.48 -2.54 -0.07 0.00 -1.84 0.00 0.00 35.03 31.06 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jvr n GLY 75 N 1.12 0.08 3.96 0.72 0.00 -1.26 -4.90 105.19 104.91 1jvr n GLY 75 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 46.02 46.49 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jvr s TYR 76 N 2.46 2.82 0.94 1.61 2.02 -1.26 -5.09 117.35 120.86 1jvr s TYR 76 Ca 0.73 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 57.44 1jvr s TYR 76 Cb -1.02 -2.93 0.16 0.00 -0.40 0.00 0.00 41.96 37.77 1jvr s TYR 76 CO 0.53 -1.11 1.15 -1.25 -1.57 0.00 0.00 175.55 173.31 1jvr s PRO 77 N -4.96 0.87 1.19 -1.71 0.04 -1.26 -4.73 135.00 124.44 1jvr s PRO 77 Ca 0.59 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1jvr s PRO 77 Cb -0.10 -1.82 0.22 0.00 0.04 0.00 0.00 34.50 32.84 1jvr s PRO 77 CO 0.41 -2.36 0.50 0.41 0.04 0.00 0.00 177.00 176.00 1jvr n GLY 78 N -2.25 -2.60 2.75 0.56 0.00 -1.26 -3.52 105.19 98.87 1jvr n GLY 78 Ca 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1jvr n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jvr n ARG 79 N -3.59 0.00 0.00 1.61 1.74 -1.26 -4.75 116.66 110.41 1jvr n ARG 79 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1jvr n ARG 79 Cb 0.56 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jvr n VAL 80 N -2.12 0.00 -0.33 1.55 0.31 -1.23 -4.75 118.33 111.77 1jvr n VAL 80 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1jvr n VAL 80 Cb 0.00 -0.06 0.21 0.00 -0.91 0.00 0.00 33.84 33.08 1jvr n VAL 80 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1jvr h VAL 81 N 0.00 1.10 -0.06 2.52 2.07 -1.85 0.23 116.25 120.26 1jvr h VAL 81 Ca 0.00 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1jvr h VAL 81 Cb 0.00 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1jvr h VAL 81 CO 0.00 0.20 0.19 -0.08 0.02 0.00 0.00 177.57 177.91 1jvr h GLU 82 N 1.12 0.00 0.10 1.57 4.81 -1.90 1.74 114.58 122.01 1jvr h GLU 82 Ca 0.40 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.29 1jvr h GLU 82 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1jvr h GLU 82 CO -0.15 0.00 -1.86 0.82 -0.73 0.00 0.00 179.01 177.09 1jvr h ILE 83 N 0.00 0.76 -0.01 2.32 2.04 -0.89 -3.33 117.51 118.41 1jvr h ILE 83 Ca 0.03 -2.49 -0.20 0.00 1.00 0.00 0.00 64.86 63.20 1jvr h ILE 83 Cb 0.41 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1jvr h ILE 83 CO -0.00 0.79 -0.87 0.40 0.00 0.00 0.00 178.15 178.47 1jvr h ILE 84 N 0.06 1.45 -0.85 -0.67 2.04 0.07 -3.08 117.51 116.52 1jvr h ILE 84 Ca -0.37 -2.50 0.13 0.00 1.00 0.00 0.00 64.86 63.12 1jvr h ILE 84 Cb 2.03 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 40.45 1jvr h ILE 84 CO 0.10 0.74 0.55 0.78 0.00 0.00 0.00 178.15 180.32 1jvr h ASN 85 N 0.16 0.65 -0.28 1.72 4.21 0.23 0.38 115.58 122.66 1jvr h ASN 85 Ca -0.05 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 1jvr h ASN 85 Cb 1.49 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.58 1jvr h ASN 85 CO 0.14 0.35 0.08 0.40 -1.29 0.00 0.00 177.43 177.12 1jvr h ILE 86 N 0.70 1.20 -0.61 2.81 2.04 -1.64 0.84 117.51 122.85 1jvr h ILE 86 Ca 0.42 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1jvr h ILE 86 Cb 0.62 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1jvr h ILE 86 CO -0.18 0.21 0.27 -0.07 0.00 0.00 0.00 178.15 178.38 1jvr h LEU 87 N 0.28 0.83 0.18 1.44 3.38 -1.00 0.62 115.31 121.04 1jvr h LEU 87 Ca 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jvr h LEU 87 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jvr h LEU 87 CO -0.00 0.75 -0.09 0.58 0.09 0.00 0.00 178.44 179.77 1jvr h VAL 88 N 0.85 0.92 0.00 1.22 2.07 -0.05 -1.93 116.25 119.32 1jvr h VAL 88 Ca 0.21 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jvr h VAL 88 Cb 0.17 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jvr h VAL 88 CO -0.02 0.12 0.00 1.17 0.02 0.00 0.00 177.57 178.86 1jvr n LYS 89 N -5.08 0.03 -0.30 1.57 0.00 0.29 0.41 118.16 115.09 1jvr n LYS 89 Ca -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 58.31 58.49 1jvr n LYS 89 Cb 0.21 -1.50 0.12 0.00 0.00 0.00 0.00 35.03 33.85 1jvr n LYS 89 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1jvr h ASN 90 N 0.00 0.82 0.00 3.14 -0.73 0.11 -3.41 115.58 115.50 1jvr h ASN 90 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1jvr h ASN 90 Cb 0.19 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1jvr h ASN 90 CO 0.00 0.54 0.00 0.00 -0.37 0.00 0.00 177.43 177.60 1jvr n GLN 91 N -4.62 0.00 -1.71 6.67 10.64 -1.02 -4.92 117.38 122.42 1jvr n GLN 91 Ca 0.11 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.17 1jvr n GLN 91 Cb 0.14 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.49 1jvr n GLN 91 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1jvr n VAL 92 N 0.00 -0.18 -3.25 -0.39 3.14 0.17 -4.83 118.33 112.99 1jvr n VAL 92 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1jvr n VAL 92 Cb 0.00 -1.17 -0.06 0.00 -1.06 0.00 0.00 33.84 31.55 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jvr s SER 93 N -1.94 0.39 0.79 6.55 0.01 -1.26 -5.06 113.70 113.19 1jvr s SER 93 Ca 0.00 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.53 1jvr s SER 93 Cb 0.00 0.83 0.00 0.00 0.21 0.00 0.00 66.02 67.06 1jvr s SER 93 CO 0.00 -0.20 0.00 -0.81 0.41 0.00 0.00 173.24 172.64 1jvr n PRO 94 N 3.84 -0.20 0.00 12.44 -0.04 -1.25 -3.96 135.00 145.82 1jvr n PRO 94 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1jvr n PRO 94 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1jvr n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr n SER 95 N -2.38 0.00 -3.25 3.54 2.88 -1.26 -4.46 113.62 108.69 1jvr n SER 95 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1jvr n SER 95 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jvr s ALA 96 N -0.03 -1.80 -0.06 -1.46 0.00 -1.26 -4.65 121.76 112.49 1jvr s ALA 96 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1jvr s ALA 96 Cb 0.00 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.54 1jvr s ALA 96 CO 0.00 -2.11 0.51 -1.00 0.00 0.00 0.00 175.76 173.16 1jvr h PRO 97 N 7.23 -0.26 -6.48 0.00 0.13 -1.78 -3.48 132.00 127.36 1jvr h PRO 97 Ca 0.03 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.68 1jvr h PRO 97 Cb 1.15 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1jvr h PRO 97 CO 0.14 -0.03 -0.93 0.00 -0.23 0.00 0.00 178.00 176.96 1jvr n ALA 98 N -2.70 -2.28 -0.01 -0.56 0.00 -1.26 -4.89 120.51 108.80 1jvr n ALA 98 Ca -0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 1jvr n ALA 98 Cb 0.18 -2.54 -0.08 0.00 0.00 0.00 0.00 19.45 17.01 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr h ALA 99 N 0.93 -0.10 -0.04 0.00 0.00 -1.96 -3.18 119.26 114.91 1jvr h ALA 99 Ca -0.66 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 53.81 1jvr h ALA 99 Cb 1.38 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1jvr h ALA 99 CO 0.56 -0.14 -0.68 -1.00 0.00 0.00 0.00 179.25 177.99 1jvr h PRO 100 N -0.92 0.54 -3.59 0.00 0.13 -2.01 -3.39 132.00 122.75 1jvr h PRO 100 Ca -0.01 -0.52 -0.68 0.00 -0.87 0.00 0.00 66.00 63.92 1jvr h PRO 100 Cb 0.56 0.13 -0.37 0.00 0.13 0.00 0.00 31.00 31.46 1jvr h PRO 100 CO 0.02 1.15 -0.47 0.54 -0.23 0.00 0.00 178.00 179.01 1jvr s VAL 101 N -3.41 3.30 -0.07 1.56 0.11 -1.26 -4.94 120.40 115.69 1jvr s VAL 101 Ca -0.12 -3.03 -0.16 0.00 -2.93 0.00 0.00 61.98 55.74 1jvr s VAL 101 Cb 0.05 -3.20 -0.12 0.00 -1.53 0.00 0.00 36.38 31.59 1jvr s VAL 101 CO 0.85 -0.84 0.62 1.55 -3.33 0.00 0.00 175.10 173.95 1jvr h PRO 102 N 6.91 -0.21 -6.27 1.54 0.13 -1.76 -3.41 132.00 128.94 1jvr h PRO 102 Ca -0.04 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.58 1jvr h PRO 102 Cb 0.94 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1jvr h PRO 102 CO 0.70 0.14 -0.31 -0.08 -0.23 0.00 0.00 178.00 178.21 1jvr s THR 103 N -2.86 5.19 0.64 1.56 -1.32 -1.26 -4.99 115.64 112.60 1jvr s THR 103 Ca -0.10 -0.39 -0.13 0.00 -1.21 0.00 0.00 61.69 59.86 1jvr s THR 103 Cb 0.00 -3.75 -0.02 0.00 -1.51 0.00 0.00 72.50 67.22 1jvr s THR 103 CO 0.35 -0.23 1.05 -2.16 -2.21 0.00 0.00 174.62 171.42 1jvr s PRO 104 N -3.48 3.16 0.45 7.08 0.04 -1.26 -4.95 135.00 136.04 1jvr s PRO 104 Ca 0.39 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 1jvr s PRO 104 Cb -0.11 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 1jvr s PRO 104 CO 0.30 -0.93 -0.04 0.44 0.04 0.00 0.00 177.00 176.81 1jvr n ILE 105 N -2.56 0.25 -1.49 0.56 -0.00 -1.26 -4.66 119.36 110.20 1jvr n ILE 105 Ca 0.08 -0.49 -0.50 0.00 -0.00 0.00 0.00 62.75 61.84 1jvr n ILE 105 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.13 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jvr n PRO 107 N 1.27 -2.05 0.00 0.00 -0.04 -1.26 -4.89 135.00 128.03 1jvr n PRO 107 Ca 0.17 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1jvr n PRO 107 Cb 0.22 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1jvr n PRO 107 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jvr n THR 108 N -4.15 0.00 -3.18 0.52 -2.24 -1.26 -4.29 114.28 99.67 1jvr n THR 108 Ca 0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.72 1jvr n THR 108 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1jvr n THR 108 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jvr n THR 109 N 0.00 -0.01 -2.90 4.28 -2.24 -1.26 -4.96 114.28 107.19 1jvr n THR 109 Ca 0.00 -4.55 -0.12 0.00 -2.27 0.00 0.00 64.05 57.12 1jvr n THR 109 Cb 0.00 -0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1jvr n THR 109 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 110 N 0.50 -0.26 -2.37 4.28 -1.04 -1.26 -5.11 114.28 109.01 1jvr n THR 110 Ca 0.25 -1.98 -0.43 0.00 -2.04 0.00 0.00 64.05 59.84 1jvr n THR 110 Cb 0.61 0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 69.50 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 111 N 0.37 3.80 0.62 -2.82 0.04 -1.26 -5.01 135.00 130.75 1jvr s PRO 111 Ca 0.32 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1jvr s PRO 111 Cb 0.13 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 1jvr s PRO 111 CO -0.16 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 175.41 1jvr s PRO 112 N 4.45 3.23 0.60 0.56 0.04 -1.26 -5.04 135.00 137.58 1jvr s PRO 112 Ca 0.59 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1jvr s PRO 112 Cb -0.16 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1jvr s PRO 112 CO 0.27 -0.87 1.05 -1.25 0.04 0.00 0.00 177.00 176.23 1jvr s PRO 113 N -4.41 3.33 -0.32 0.56 0.04 -1.26 -4.98 135.00 127.96 1jvr s PRO 113 Ca 0.61 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1jvr s PRO 113 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1jvr s PRO 113 CO 0.43 -0.79 1.37 -1.25 0.04 0.00 0.00 177.00 176.79 1jvr s PRO 114 N -4.25 3.80 0.60 0.56 0.04 -1.26 -5.01 135.00 129.49 1jvr s PRO 114 Ca 0.62 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 114 Cb -0.15 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 1jvr s PRO 114 CO 0.39 -1.27 1.05 -1.25 0.04 0.00 0.00 177.00 175.97 1jvr s PRO 115 N 4.44 3.33 -0.33 0.56 0.04 -1.26 -4.98 135.00 136.80 1jvr s PRO 115 Ca 0.59 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1jvr s PRO 115 Cb -0.17 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 115 CO 0.26 -0.80 1.36 -1.25 0.04 0.00 0.00 177.00 176.62 1jvr s PRO 116 N -4.23 3.80 0.76 0.56 0.04 -1.26 -5.01 135.00 129.66 1jvr s PRO 116 Ca 0.62 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 1jvr s PRO 116 Cb -0.15 -3.94 0.18 0.00 0.04 0.00 0.00 34.50 30.64 1jvr s PRO 116 CO 0.39 -1.27 0.84 -0.35 0.04 0.00 0.00 177.00 176.65 1jvr n PRO 117 N 7.57 -1.68 0.00 0.56 -0.04 -1.26 -4.92 135.00 135.24 1jvr n PRO 117 Ca 0.16 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1jvr n PRO 117 Cb 0.47 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1jvr n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 118 N -3.93 0.00 0.00 3.54 7.64 -1.26 -4.97 113.62 114.64 1jvr n SER 118 Ca 0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 1jvr n SER 118 Cb 0.40 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1jvr n SER 118 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jvr h PRO 119 N 0.00 0.54 -7.41 1.43 0.13 -2.04 -3.45 132.00 121.20 1jvr h PRO 119 Ca 0.00 -0.53 -0.47 0.00 -0.87 0.00 0.00 66.00 64.13 1jvr h PRO 119 Cb 0.00 0.14 0.08 0.00 0.13 0.00 0.00 31.00 31.35 1jvr h PRO 119 CO 0.00 1.16 0.32 -1.21 -0.23 0.00 0.00 178.00 178.03 1jvr s GLU 120 N -3.41 2.37 -0.12 0.86 8.01 -1.26 -5.04 118.70 120.12 1jvr s GLU 120 Ca -0.12 0.05 -0.07 0.00 0.01 0.00 0.00 54.97 54.84 1jvr s GLU 120 Cb 0.05 -2.09 -0.02 0.00 -4.31 0.00 0.00 34.13 27.76 1jvr s GLU 120 CO 0.85 -1.22 -0.13 0.00 0.01 0.00 0.00 175.26 174.77 1jvr h ALA 121 N -0.69 0.00 -0.24 5.21 0.00 -2.03 -3.47 119.26 118.04 1jvr h ALA 121 Ca -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1jvr h ALA 121 Cb 1.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1jvr h ALA 121 CO 0.63 0.37 0.00 0.72 0.00 0.00 0.00 179.25 180.97 1jvr n HIS 122 N -4.39 0.00 -3.93 0.00 8.25 -1.26 -4.58 115.22 109.31 1jvr n HIS 122 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 1jvr n HIS 122 Cb 0.19 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 1jvr n HIS 122 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1jvr s VAL 123 N 0.00 0.13 0.73 1.59 -7.23 -1.26 -5.16 120.40 109.20 1jvr s VAL 123 Ca 0.00 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1jvr s VAL 123 Cb 0.00 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 36.08 1jvr s VAL 123 CO 0.00 -0.61 1.07 -2.16 -0.31 0.00 0.00 175.10 173.09 1jvr s PRO 124 N -2.60 2.63 0.60 4.82 0.04 -1.26 -5.04 135.00 134.19 1jvr s PRO 124 Ca -0.05 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1jvr s PRO 124 Cb -0.01 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1jvr s PRO 124 CO -0.05 -1.29 1.05 -1.25 0.04 0.00 0.00 177.00 175.50 1jvr s PRO 125 N -5.09 3.33 -0.07 0.56 0.04 -1.26 -5.01 135.00 127.51 1jvr s PRO 125 Ca 0.59 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1jvr s PRO 125 Cb -0.14 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 1jvr s PRO 125 CO 0.55 -0.80 0.74 -1.00 0.04 0.00 0.00 177.00 176.53 1jvr h PRO 126 N 0.32 -0.15 -3.07 0.56 0.13 -2.06 -3.47 132.00 124.25 1jvr h PRO 126 Ca -0.46 0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1jvr h PRO 126 Cb 1.21 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 1jvr h PRO 126 CO 0.58 0.31 -0.30 0.71 -0.23 0.00 0.00 178.00 179.07 1jvr s TYR 127 N -2.98 -0.17 0.16 1.56 2.02 -1.26 -5.06 117.35 111.61 1jvr s TYR 127 Ca -0.12 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 1jvr s TYR 127 Cb -0.00 0.09 0.00 0.00 -0.40 0.00 0.00 41.96 41.64 1jvr s TYR 127 CO 0.45 -0.37 0.00 0.28 -1.57 0.00 0.00 175.55 174.34 1jvr n VAL 128 N 1.40 0.15 -0.36 0.71 0.31 -1.26 -4.62 118.33 114.66 1jvr n VAL 128 Ca -0.21 0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.18 1jvr n VAL 128 Cb 0.56 -0.71 0.07 0.00 -0.91 0.00 0.00 33.84 32.85 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jvr n GLU 129 N -3.14 -0.18 0.00 5.55 -0.58 -1.26 -2.79 120.64 118.24 1jvr n GLU 129 Ca 0.00 1.47 0.00 0.00 -0.42 0.00 0.00 57.16 58.21 1jvr n GLU 129 Cb 0.04 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 28.72 1jvr n GLU 129 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1jvr n PRO 130 N -5.45 0.00 -0.15 3.49 -0.04 -1.26 -4.73 135.00 126.86 1jvr n PRO 130 Ca 0.12 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 63.97 1jvr n PRO 130 Cb 0.41 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1jvr n PRO 130 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 131 N -1.63 0.00 -2.73 0.52 5.66 -1.12 -3.56 114.28 111.41 1jvr n THR 131 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1jvr n THR 131 Cb 0.00 -0.05 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 1jvr n THR 131 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jvr s THR 132 N -0.43 4.12 -0.31 1.09 -4.23 -1.26 -4.46 115.64 110.16 1jvr s THR 132 Ca 0.00 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1jvr s THR 132 Cb 0.00 -4.74 0.02 0.00 1.34 0.00 0.00 72.50 69.12 1jvr s THR 132 CO 0.00 -1.51 0.31 0.41 -0.54 0.00 0.00 174.62 173.29 1jvr n THR 133 N 6.18 -7.98 -0.16 3.99 -1.04 -1.26 -4.85 114.28 109.15 1jvr n THR 133 Ca 0.00 0.93 -0.13 0.00 -2.04 0.00 0.00 64.05 62.82 1jvr n THR 133 Cb 0.47 -5.51 -0.09 0.00 -1.82 0.00 0.00 70.33 63.39 1jvr n THR 133 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jvr h GLN 134 N 2.68 -0.34 0.00 -2.82 5.75 -1.78 -3.46 115.11 115.14 1jvr h GLN 134 Ca -0.12 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1jvr h GLN 134 Cb 0.79 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.42 1jvr h GLN 134 CO 0.13 -0.23 0.00 0.00 -2.65 0.00 0.00 178.83 176.09