#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 0.00 0.00 -1.40 2.81 -1.26 -4.15 117.12 113.12 1jvr n MET 1 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jvr n MET 1 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1jvr n MET 1 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jvr n GLY 2 N 0.00 0.69 2.34 3.03 0.00 -1.26 -5.10 105.19 104.89 1jvr n GLY 2 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1jvr n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jvr n GLN 3 N 0.00 1.01 0.00 1.61 10.64 -1.26 -5.13 117.38 124.26 1jvr n GLN 3 Ca 0.00 -3.18 0.00 0.00 -1.83 0.00 0.00 57.00 51.99 1jvr n GLN 3 Cb 0.00 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 1jvr n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1jvr n ILE 4 N 0.21 0.00 -3.54 -0.39 -5.35 -1.26 -4.77 119.36 104.26 1jvr n ILE 4 Ca 0.20 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.52 1jvr n ILE 4 Cb 0.70 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.47 1jvr n ILE 4 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1jvr s HIS 5 N 0.00 -0.40 0.00 4.28 5.65 -1.26 -5.09 115.29 118.48 1jvr s HIS 5 Ca 0.00 0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.88 1jvr s HIS 5 Cb 0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 32.58 31.20 1jvr s HIS 5 CO 0.00 -0.52 0.00 0.41 -0.65 0.00 0.00 174.74 173.98 1jvr n GLY 6 N 5.34 -0.20 1.35 1.59 0.00 -1.26 -5.16 105.19 106.85 1jvr n GLY 6 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1jvr n GLY 6 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jvr n LEU 7 N 0.00 -1.68 -2.87 0.99 7.94 -1.26 -4.94 117.00 115.18 1jvr n LEU 7 Ca 0.00 2.51 -0.03 0.00 -1.11 0.00 0.00 56.01 57.39 1jvr n LEU 7 Cb 0.00 -2.49 0.00 0.00 0.53 0.00 0.00 43.42 41.46 1jvr n LEU 7 CO 0.00 -0.26 -0.43 -1.20 -1.11 0.00 0.00 177.39 174.39 1jvr n SER 8 N -1.83 -7.62 -4.51 1.96 7.64 -1.26 -4.75 113.62 103.25 1jvr n SER 8 Ca 0.00 1.05 -0.36 0.00 1.01 0.00 0.00 58.87 60.57 1jvr n SER 8 Cb 0.25 -4.38 -0.03 0.00 -1.01 0.00 0.00 64.21 59.03 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 9 N 0.69 2.40 -4.11 1.43 -0.04 -1.26 -4.88 135.00 129.22 1jvr n PRO 9 Ca 0.01 -2.83 -0.09 0.00 -0.04 0.00 0.00 63.50 60.55 1jvr n PRO 9 Cb 0.19 -3.57 -0.10 0.00 -0.04 0.00 0.00 33.50 29.98 1jvr n PRO 9 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jvr s THR 10 N 7.30 0.44 -0.79 0.52 -4.23 -1.26 -5.04 115.64 112.59 1jvr s THR 10 Ca 0.60 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1jvr s THR 10 Cb 0.03 -1.41 -0.12 0.00 1.34 0.00 0.00 72.50 72.34 1jvr s THR 10 CO 0.10 -0.85 2.61 -0.81 -0.54 0.00 0.00 174.62 175.12 1jvr n PRO 11 N 0.28 2.32 -0.01 3.99 -0.04 -1.26 -4.41 135.00 135.88 1jvr n PRO 11 Ca -0.15 -1.41 -0.12 0.00 -0.04 0.00 0.00 63.50 61.78 1jvr n PRO 11 Cb 0.60 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1jvr n PRO 11 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jvr h ILE 12 N 2.90 1.26 0.00 0.52 5.03 -1.96 -3.32 117.51 121.94 1jvr h ILE 12 Ca 0.48 -1.46 -0.45 0.00 -0.12 0.00 0.00 64.86 63.30 1jvr h ILE 12 Cb 0.54 2.17 0.01 0.00 -3.03 0.00 0.00 36.82 36.51 1jvr h ILE 12 CO 1.13 0.35 2.70 -0.81 -0.68 0.00 0.00 178.15 180.84 1jvr n PRO 13 N -4.81 2.61 -0.35 2.37 -0.04 -1.26 -4.66 135.00 128.86 1jvr n PRO 13 Ca -0.08 -1.64 0.13 0.00 -0.04 0.00 0.00 63.50 61.87 1jvr n PRO 13 Cb 0.31 -2.50 0.27 0.00 -0.04 0.00 0.00 33.50 31.54 1jvr n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jvr n LYS 14 N 3.76 -0.08 0.00 0.54 2.85 -1.25 -4.78 118.16 119.19 1jvr n LYS 14 Ca 0.56 1.50 0.00 0.00 -1.05 0.00 0.00 58.31 59.31 1jvr n LYS 14 Cb 0.24 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jvr n ALA 15 N -3.24 0.00 -0.01 0.58 0.00 -1.26 -4.97 120.51 111.62 1jvr n ALA 15 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1jvr n ALA 15 Cb 0.72 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.43 -5.70 0.00 0.13 -1.88 -3.49 132.00 121.49 1jvr h PRO 16 Ca 0.00 -0.42 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1jvr h PRO 16 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1jvr h PRO 16 CO 0.00 1.07 -0.46 0.54 -0.23 0.00 0.00 178.00 178.92 1jvr n ARG 17 N -4.24 -1.75 0.00 0.86 1.74 -1.26 -4.99 116.66 107.02 1jvr n ARG 17 Ca -0.10 1.56 0.00 0.00 -0.77 0.00 0.00 57.85 58.55 1jvr n ARG 17 Cb 0.64 -4.77 0.00 0.00 -1.02 0.00 0.00 32.46 27.31 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jvr n GLY 18 N -1.13 -0.93 3.54 -0.13 0.00 -1.26 -4.43 105.19 100.84 1jvr n GLY 18 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1jvr n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jvr n LEU 19 N -0.30 0.81 0.00 0.99 7.99 -1.26 -4.44 117.00 120.79 1jvr n LEU 19 Ca 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 56.01 54.99 1jvr n LEU 19 Cb 0.00 -1.28 0.00 0.00 -0.11 0.00 0.00 43.42 42.03 1jvr n LEU 19 CO 0.00 -2.06 0.00 -0.24 -1.51 0.00 0.00 177.39 173.58 1jvr n SER 20 N 14.11 0.00 0.00 -1.43 2.88 -1.26 -5.09 113.62 122.83 1jvr n SER 20 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1jvr n SER 20 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.81 0.00 0.20 2.46 -1.04 -1.26 -4.84 114.28 108.99 1jvr n THR 21 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1jvr n THR 21 Cb 0.00 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 68.92 1jvr n THR 21 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jvr n HIS 22 N -1.02 0.52 -0.11 -1.42 -0.00 -1.26 0.19 115.22 112.11 1jvr n HIS 22 Ca 0.00 0.25 -0.15 0.00 -0.00 0.00 0.00 57.72 57.82 1jvr n HIS 22 Cb 0.00 -0.90 -0.11 0.00 -0.00 0.00 0.00 29.99 28.98 1jvr n HIS 22 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jvr n HIS 23 N -2.02 0.00 -0.04 1.57 -0.00 -1.26 -4.15 115.22 109.33 1jvr n HIS 23 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1jvr n HIS 23 Cb 0.08 -0.87 -0.08 0.00 -0.00 0.00 0.00 29.99 29.12 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 0.00 0.69 -0.62 4.41 -0.00 -1.67 -2.85 115.95 115.91 1jvr h TRP 24 Ca -0.50 -0.29 0.18 0.00 -0.00 0.00 0.00 58.89 58.28 1jvr h TRP 24 Cb 1.81 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.84 1jvr h TRP 24 CO 0.02 1.05 0.47 1.25 -0.00 0.00 0.00 178.44 181.24 1jvr h LEU 25 N 0.13 0.00 -1.75 0.65 5.85 0.18 1.61 115.31 121.98 1jvr h LEU 25 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jvr h LEU 25 Cb 1.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1jvr h LEU 25 CO 0.09 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.03 1jvr h ASN 26 N 0.00 0.00 0.00 1.25 -0.73 -1.66 0.12 115.58 114.56 1jvr h ASN 26 Ca 0.30 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 58.10 1jvr h ASN 26 Cb 1.24 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.76 1jvr h ASN 26 CO -0.00 0.04 -2.39 0.33 -0.37 0.00 0.00 177.43 175.04 1jvr n PHE 27 N -3.18 0.00 0.14 0.67 -0.00 0.51 -4.17 117.46 111.43 1jvr n PHE 27 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1jvr n PHE 27 Cb 0.27 -0.96 0.26 0.00 -0.00 0.00 0.00 39.48 39.05 1jvr n PHE 27 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jvr h LEU 28 N 0.00 0.08 -0.12 -2.13 5.85 -0.05 -2.07 115.31 116.87 1jvr h LEU 28 Ca -0.55 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 1jvr h LEU 28 Cb 2.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1jvr h LEU 28 CO -0.04 0.53 0.06 1.56 -0.34 0.00 0.00 178.44 180.21 1jvr h GLN 29 N 0.07 0.17 -0.38 1.25 4.20 -0.96 0.10 115.11 119.56 1jvr h GLN 29 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jvr h GLN 29 Cb 0.83 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1jvr h GLN 29 CO 0.06 0.21 0.15 0.00 -0.67 0.00 0.00 178.83 178.58 1jvr h ALA 30 N 0.96 0.50 -0.92 3.87 0.00 -1.69 -1.03 119.26 120.95 1jvr h ALA 30 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1jvr h ALA 30 Cb 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1jvr h ALA 30 CO -0.01 0.11 0.59 0.00 0.00 0.00 0.00 179.25 179.94 1jvr h ALA 31 N 0.99 1.55 0.00 0.00 0.00 -1.14 0.31 119.26 120.98 1jvr h ALA 31 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jvr h ALA 31 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jvr h ALA 31 CO -0.01 0.28 0.00 -0.92 0.00 0.00 0.00 179.25 178.60 1jvr h TYR 32 N 0.98 0.00 0.00 0.00 5.03 -0.17 -2.59 116.97 120.22 1jvr h TYR 32 Ca 0.41 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.67 1jvr h TYR 32 Cb 0.30 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1jvr h TYR 32 CO -0.00 0.00 -0.23 -0.09 -1.32 0.00 0.00 178.16 176.51 1jvr h ARG 33 N 0.00 0.00 0.00 1.82 2.43 0.88 -3.45 114.38 116.06 1jvr h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jvr h ARG 33 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1jvr h ARG 33 CO 0.00 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 1jvr n LEU 34 N -3.16 0.00 0.00 3.80 4.77 -0.76 -4.98 117.00 116.66 1jvr n LEU 34 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1jvr n LEU 34 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1jvr n LEU 34 CO 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 1jvr n GLN 35 N 0.00 0.00 -2.31 3.23 1.13 -1.26 -4.98 117.38 113.19 1jvr n GLN 35 Ca 0.00 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.70 1jvr n GLN 35 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jvr s PRO 36 N 0.00 3.03 0.00 -1.09 0.04 -1.26 -4.75 135.00 130.97 1jvr s PRO 36 Ca 0.00 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1jvr s PRO 36 Cb 0.00 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1jvr s PRO 36 CO 0.00 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.76 1jvr n GLY 37 N 6.51 0.41 3.72 0.56 0.00 -1.26 -5.02 105.19 110.11 1jvr n GLY 37 Ca 0.30 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 4.50 0.00 1.61 0.04 -1.26 -4.33 135.00 135.56 1jvr s PRO 38 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1jvr s PRO 38 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jvr s PRO 38 CO 0.00 -0.12 0.00 0.45 0.04 0.00 0.00 177.00 177.37 1jvr n SER 39 N 3.34 0.00 -4.85 6.66 2.88 -1.26 -4.45 113.62 115.95 1jvr n SER 39 Ca 0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.25 1jvr n SER 39 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1jvr n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jvr s ASP 40 N 0.00 6.17 -0.75 -3.46 -1.08 -1.26 -4.16 116.67 112.13 1jvr s ASP 40 Ca 0.00 0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.41 1jvr s ASP 40 Cb 0.00 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1jvr s ASP 40 CO 0.00 0.37 0.00 0.33 0.52 0.00 0.00 175.17 176.39 1jvr n PHE 41 N 1.77 0.00 0.00 -5.34 7.35 -1.26 -4.87 117.46 115.10 1jvr n PHE 41 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1jvr n PHE 41 Cb 0.54 -1.51 0.00 0.00 0.35 0.00 0.00 39.48 38.86 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1jvr n ASP 42 N 0.81 0.00 0.00 -2.13 5.75 -1.26 -4.97 116.55 114.75 1jvr n ASP 42 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1jvr n ASP 42 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jvr n PHE 43 N -0.52 0.00 -0.06 2.11 3.01 -1.26 -4.78 117.46 115.96 1jvr n PHE 43 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1jvr n PHE 43 Cb 0.00 -1.03 -0.02 0.00 -0.01 0.00 0.00 39.48 38.42 1jvr n PHE 43 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1jvr h GLN 44 N 0.94 0.00 0.00 -1.08 4.15 -1.94 -2.95 115.11 114.24 1jvr h GLN 44 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jvr h GLN 44 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1jvr h GLN 44 CO 0.00 0.09 0.13 -0.56 -1.93 0.00 0.00 178.83 176.56 1jvr h GLN 45 N -1.00 0.00 0.00 1.69 -0.00 -2.00 -1.31 115.11 112.50 1jvr h GLN 45 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1jvr h GLN 45 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1jvr h GLN 45 CO -0.01 0.00 -0.20 1.25 -0.00 0.00 0.00 178.83 179.87 1jvr h LEU 46 N 0.00 0.00 -1.76 0.06 6.46 -1.95 -3.28 115.31 114.84 1jvr h LEU 46 Ca 0.00 -0.47 0.03 0.00 -0.12 0.00 0.00 57.88 57.32 1jvr h LEU 46 Cb 0.26 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1jvr h LEU 46 CO 0.00 0.85 0.44 -0.09 -0.62 0.00 0.00 178.44 179.02 1jvr h ARG 47 N -1.00 0.00 -0.05 1.25 2.43 -1.07 0.22 114.38 116.17 1jvr h ARG 47 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1jvr h ARG 47 Cb 0.62 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1jvr h ARG 47 CO -0.03 0.00 -0.05 0.00 -1.51 0.00 0.00 179.97 178.39 1jvr h ARG 48 N 0.00 0.11 -0.40 0.20 3.08 -1.50 0.27 114.38 116.14 1jvr h ARG 48 Ca 0.04 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1jvr h ARG 48 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1jvr h ARG 48 CO -0.00 0.58 -0.13 0.35 -1.07 0.00 0.00 179.97 179.70 1jvr h PHE 49 N -0.34 0.80 0.43 3.04 3.57 -0.67 0.81 116.94 124.58 1jvr h PHE 49 Ca 0.01 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1jvr h PHE 49 Cb 0.56 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1jvr h PHE 49 CO 0.09 0.81 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.71 1jvr h LEU 50 N 0.66 -0.49 -2.12 0.59 3.38 -1.31 -1.50 115.31 114.52 1jvr h LEU 50 Ca 0.11 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1jvr h LEU 50 Cb 0.59 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1jvr h LEU 50 CO 0.04 -0.06 0.29 0.50 0.09 0.00 0.00 178.44 179.30 1jvr h LYS 51 N -1.10 0.00 0.29 1.13 1.63 -0.47 -0.23 116.57 117.83 1jvr h LYS 51 Ca -0.06 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1jvr h LYS 51 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1jvr h LYS 51 CO 0.10 0.00 -0.14 1.25 -3.45 0.00 0.00 179.45 177.21 1jvr h LEU 52 N 0.00 -0.34 -1.87 5.20 6.46 -0.70 -3.01 115.31 121.06 1jvr h LEU 52 Ca 0.13 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.80 1jvr h LEU 52 Cb 0.72 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1jvr h LEU 52 CO -0.00 0.10 0.33 0.00 -0.62 0.00 0.00 178.44 178.25 1jvr h ALA 53 N -0.42 2.25 0.00 1.25 0.00 -0.09 0.78 119.26 123.04 1jvr h ALA 53 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jvr h ALA 53 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jvr h ALA 53 CO 0.07 -0.38 0.00 -0.11 0.00 0.00 0.00 179.25 178.83 1jvr n LEU 54 N -4.44 0.49 0.00 0.00 7.94 -0.24 -0.56 117.00 120.20 1jvr n LEU 54 Ca 0.08 0.70 0.08 0.00 -1.11 0.00 0.00 56.01 55.75 1jvr n LEU 54 Cb 0.44 -0.72 0.37 0.00 0.53 0.00 0.00 43.42 44.05 1jvr n LEU 54 CO 0.35 -0.77 0.73 1.17 -1.11 0.00 0.00 177.39 177.76 1jvr n LYS 55 N -2.12 0.15 -3.33 1.96 3.00 0.27 -4.19 118.16 113.90 1jvr n LYS 55 Ca -0.00 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.36 1jvr n LYS 55 Cb 0.08 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.54 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1jvr s THR 56 N -2.71 -0.54 -1.11 3.15 -1.32 0.28 -5.05 115.64 108.34 1jvr s THR 56 Ca 0.12 -0.47 -0.17 0.00 -1.21 0.00 0.00 61.69 59.97 1jvr s THR 56 Cb 0.10 -0.87 -0.06 0.00 -1.51 0.00 0.00 72.50 70.15 1jvr s THR 56 CO 0.25 -0.38 2.13 -0.81 -2.21 0.00 0.00 174.62 173.60 1jvr n PRO 57 N 5.07 2.23 -0.00 7.08 -0.04 -1.26 -3.99 135.00 144.09 1jvr n PRO 57 Ca 0.03 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1jvr n PRO 57 Cb 0.48 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.91 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 5.35 0.01 0.02 0.52 0.13 -1.26 -4.45 119.36 119.68 1jvr n ILE 58 Ca 0.52 -0.03 0.07 0.00 -1.10 0.00 0.00 62.75 62.21 1jvr n ILE 58 Cb 0.37 0.26 -0.10 0.00 -0.84 0.00 0.00 39.64 39.32 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 -1.61 0.47 0.17 9.51 4.27 -1.26 -3.99 117.44 124.99 1jvr n TRP 59 Ca -0.00 0.14 -0.12 0.00 -3.89 0.00 0.00 57.50 53.63 1jvr n TRP 59 Cb 0.10 -0.80 -0.07 0.00 -1.36 0.00 0.00 31.31 29.18 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 -0.39 -0.52 5.67 4.07 -1.85 1.26 115.31 123.56 1jvr h LEU 60 Ca -0.09 -0.16 0.06 0.00 0.08 0.00 0.00 57.88 57.77 1jvr h LEU 60 Cb 1.25 0.10 -0.09 0.00 1.08 0.00 0.00 40.66 43.01 1jvr h LEU 60 CO 0.01 0.03 -0.56 0.78 -1.08 0.00 0.00 178.44 177.62 1jvr h ASN 61 N -0.93 -1.92 0.99 -0.43 4.21 -1.78 0.57 115.58 116.29 1jvr h ASN 61 Ca -0.05 0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1jvr h ASN 61 Cb 0.53 0.80 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1jvr h ASN 61 CO 0.08 -0.37 0.00 -0.81 -1.29 0.00 0.00 177.43 175.04 1jvr n PRO 62 N -5.35 0.15 -2.99 0.81 -0.04 -1.24 -4.85 135.00 121.49 1jvr n PRO 62 Ca -0.02 0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1jvr n PRO 62 Cb 0.33 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.01 -2.01 -3.49 0.52 0.13 0.43 -4.99 119.36 107.94 1jvr n ILE 63 Ca 0.04 0.41 0.01 0.00 -1.10 0.00 0.00 62.75 62.11 1jvr n ILE 63 Cb 0.30 -2.79 -0.03 0.00 -0.84 0.00 0.00 39.64 36.29 1jvr n ILE 63 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jvr s ASP 64 N -0.96 -1.22 0.09 9.51 -1.08 -1.02 -5.00 116.67 116.99 1jvr s ASP 64 Ca 0.04 1.36 0.09 0.00 -0.52 0.00 0.00 52.55 53.52 1jvr s ASP 64 Cb -0.00 2.27 0.45 0.00 -1.46 0.00 0.00 42.92 44.17 1jvr s ASP 64 CO 0.09 -0.23 1.28 0.00 0.52 0.00 0.00 175.17 176.83 1jvr n TYR 65 N 5.44 0.23 0.27 -5.34 4.19 -1.26 -1.41 117.16 119.29 1jvr n TYR 65 Ca -0.09 0.11 0.13 0.00 3.31 0.00 0.00 57.90 61.37 1jvr n TYR 65 Cb 0.50 -0.68 0.76 0.00 0.49 0.00 0.00 39.34 40.40 1jvr n TYR 65 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1jvr h SER 66 N 0.00 0.00 0.86 2.98 0.02 -1.98 -0.06 113.55 115.38 1jvr h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvr h SER 66 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1jvr h SER 66 CO 0.00 0.10 -1.00 -0.11 -1.14 0.00 0.00 176.83 174.67 1jvr n LEU 67 N -3.73 0.76 0.26 5.07 0.00 -0.50 -3.84 117.00 115.02 1jvr n LEU 67 Ca -0.02 0.26 -0.11 0.00 0.00 0.00 0.00 56.01 56.14 1jvr n LEU 67 Cb 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 43.42 43.49 1jvr n LEU 67 CO 0.30 -0.13 0.33 -0.07 0.00 0.00 0.00 177.39 177.81 1jvr h LEU 68 N 0.00 -0.59 -1.92 -1.96 3.38 -1.10 -2.72 115.31 110.41 1jvr h LEU 68 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jvr h LEU 68 Cb 0.93 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jvr h LEU 68 CO 0.00 -0.26 0.37 0.00 0.09 0.00 0.00 178.44 178.64 1jvr h ALA 69 N -1.37 1.44 0.00 1.53 0.00 -1.63 1.41 119.26 120.65 1jvr h ALA 69 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jvr h ALA 69 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jvr h ALA 69 CO 0.12 -0.39 -0.39 1.03 0.00 0.00 0.00 179.25 179.61 1jvr h SER 70 N 0.00 0.00 0.07 0.00 0.87 -1.59 -2.34 113.55 110.55 1jvr h SER 70 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1jvr h SER 70 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1jvr h SER 70 CO -0.00 0.39 0.00 0.18 -0.53 0.00 0.00 176.83 176.87 1jvr n LEU 71 N -3.46 0.00 -3.93 2.23 4.32 0.48 -3.95 117.00 112.70 1jvr n LEU 71 Ca 0.00 0.05 -0.30 0.00 -0.02 0.00 0.00 56.01 55.74 1jvr n LEU 71 Cb 0.54 -0.05 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 1jvr n LEU 71 CO 0.37 -0.01 0.09 -0.38 -1.22 0.00 0.00 177.39 176.24 1jvr n ILE 72 N -1.05 2.12 -2.30 -0.08 5.41 -0.88 -5.04 119.36 117.54 1jvr n ILE 72 Ca 0.16 -4.98 -0.39 0.00 1.00 0.00 0.00 62.75 58.54 1jvr n ILE 72 Cb 0.09 -2.24 -0.03 0.00 -0.71 0.00 0.00 39.64 36.76 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 -1.54 2.93 0.09 0.38 0.04 -1.25 -4.72 135.00 130.93 1jvr s PRO 73 Ca 0.27 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1jvr s PRO 73 Cb -0.04 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1jvr s PRO 73 CO -0.15 -2.46 0.00 1.17 0.04 0.00 0.00 177.00 175.61 1jvr n LYS 74 N 9.26 -0.62 -1.19 4.56 0.00 -1.26 -4.79 118.16 124.12 1jvr n LYS 74 Ca 0.13 0.48 -0.49 0.00 0.00 0.00 0.00 58.31 58.44 1jvr n LYS 74 Cb 0.50 -0.62 -0.08 0.00 0.00 0.00 0.00 35.03 34.84 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jvr n GLY 75 N -1.79 0.06 3.32 3.14 0.00 -1.26 -4.91 105.19 103.75 1jvr n GLY 75 Ca -0.00 0.77 -0.19 0.00 0.00 0.00 0.00 46.02 46.60 1jvr n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jvr n TYR 76 N 3.76 -2.90 -1.51 1.61 4.02 -1.26 -5.11 117.16 115.78 1jvr n TYR 76 Ca 0.28 -1.56 -0.30 0.00 -0.01 0.00 0.00 57.90 56.32 1jvr n TYR 76 Cb -0.04 -0.60 0.23 0.00 -0.02 0.00 0.00 39.34 38.91 1jvr n TYR 76 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1jvr s PRO 77 N -4.63 -0.61 0.50 -0.72 0.04 -1.26 -4.89 135.00 123.44 1jvr s PRO 77 Ca 0.56 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1jvr s PRO 77 Cb -0.03 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1jvr s PRO 77 CO 0.37 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1jvr n GLY 78 N -2.42 -0.27 1.79 0.56 0.00 -1.26 -3.88 105.19 99.72 1jvr n GLY 78 Ca 0.16 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.61 4.45 -0.19 1.61 1.74 -1.26 -4.48 116.66 117.92 1jvr n ARG 79 Ca 0.00 -3.12 -0.04 0.00 -0.77 0.00 0.00 57.85 53.91 1jvr n ARG 79 Cb 0.01 -2.21 0.05 0.00 -1.02 0.00 0.00 32.46 29.30 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jvr h VAL 80 N 3.48 1.03 -0.54 1.55 2.07 -1.88 -1.43 116.25 120.53 1jvr h VAL 80 Ca 0.05 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1jvr h VAL 80 Cb 1.99 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1jvr h VAL 80 CO 0.51 0.12 -0.09 0.58 0.02 0.00 0.00 177.57 178.70 1jvr h VAL 81 N 0.64 1.27 -0.46 2.57 2.07 -1.78 -2.28 116.25 118.27 1jvr h VAL 81 Ca 0.23 -1.24 0.13 0.00 0.82 0.00 0.00 66.70 66.65 1jvr h VAL 81 Cb 0.06 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1jvr h VAL 81 CO -0.12 0.44 0.35 -0.33 0.02 0.00 0.00 177.57 177.93 1jvr h GLU 82 N 0.90 0.00 0.00 1.57 5.08 -1.59 2.08 114.58 122.62 1jvr h GLU 82 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1jvr h GLU 82 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jvr h GLU 82 CO 0.04 0.00 -0.07 0.82 -1.00 0.00 0.00 179.01 178.80 1jvr h ILE 83 N 0.00 0.00 0.03 3.13 2.04 -0.75 -3.18 117.51 118.78 1jvr h ILE 83 Ca 0.22 -0.80 -0.37 0.00 1.00 0.00 0.00 64.86 64.91 1jvr h ILE 83 Cb 0.92 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1jvr h ILE 83 CO -0.00 0.00 -2.28 -0.38 0.00 0.00 0.00 178.15 175.49 1jvr n ILE 84 N -2.75 1.56 0.07 -0.67 5.41 0.36 -4.13 119.36 119.22 1jvr n ILE 84 Ca 0.04 -0.65 0.19 0.00 1.00 0.00 0.00 62.75 63.33 1jvr n ILE 84 Cb 0.49 -1.33 0.72 0.00 -0.71 0.00 0.00 39.64 38.81 1jvr n ILE 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1jvr h ASN 85 N 0.02 0.00 -0.36 4.38 2.35 0.28 0.39 115.58 122.63 1jvr h ASN 85 Ca -0.51 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.12 1jvr h ASN 85 Cb 2.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.35 1jvr h ASN 85 CO -0.01 0.00 -0.19 0.40 -1.65 0.00 0.00 177.43 175.98 1jvr h ILE 86 N 0.00 1.27 -0.42 2.81 2.04 -1.70 0.45 117.51 121.95 1jvr h ILE 86 Ca 0.19 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1jvr h ILE 86 Cb 0.83 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1jvr h ILE 86 CO -0.00 0.44 -0.01 -0.07 0.00 0.00 0.00 178.15 178.51 1jvr h LEU 87 N 0.73 0.75 -0.07 1.44 3.38 -0.44 0.80 115.31 121.90 1jvr h LEU 87 Ca 0.11 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1jvr h LEU 87 Cb 0.71 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jvr h LEU 87 CO 0.05 0.88 -0.02 0.58 0.09 0.00 0.00 178.44 180.02 1jvr h VAL 88 N 0.59 1.30 0.00 1.22 2.07 -1.09 -2.29 116.25 118.06 1jvr h VAL 88 Ca 0.12 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jvr h VAL 88 Cb 0.51 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1jvr h VAL 88 CO 0.02 0.27 0.00 1.17 0.02 0.00 0.00 177.57 179.05 1jvr n LYS 89 N -4.80 0.53 -0.36 1.57 3.00 0.15 -2.89 118.16 115.36 1jvr n LYS 89 Ca -0.07 0.04 0.03 0.00 -0.00 0.00 0.00 58.31 58.30 1jvr n LYS 89 Cb 0.24 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 33.95 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 1.03 0.00 3.14 -1.24 0.12 -3.42 115.58 115.21 1jvr h ASN 90 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1jvr h ASN 90 Cb 0.12 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1jvr h ASN 90 CO 0.00 0.66 0.00 0.00 -1.29 0.00 0.00 177.43 176.80 1jvr n GLN 91 N -4.49 0.00 0.00 6.67 10.64 -1.19 -5.06 117.38 123.95 1jvr n GLN 91 Ca 0.15 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1jvr n GLN 91 Cb 0.18 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 1jvr n GLN 91 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1jvr n VAL 92 N 0.00 0.00 -0.37 -0.39 0.24 -1.14 -4.09 118.33 112.57 1jvr n VAL 92 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 1jvr n VAL 92 Cb 0.00 -0.71 0.07 0.00 -1.47 0.00 0.00 33.84 31.74 1jvr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1jvr n SER 93 N -2.58 -0.55 0.00 -1.34 7.64 -1.26 -3.02 113.62 112.51 1jvr n SER 93 Ca 0.00 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1jvr n SER 93 Cb 0.48 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jvr n PRO 94 N -5.50 0.00 -3.82 1.43 -0.04 -1.26 -4.96 135.00 120.84 1jvr n PRO 94 Ca 0.12 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1jvr n PRO 94 Cb 0.43 -0.84 -0.15 0.00 -0.04 0.00 0.00 33.50 32.90 1jvr n PRO 94 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jvr s SER 95 N -1.89 0.01 -0.48 3.54 1.04 -1.17 -5.10 113.70 109.66 1jvr s SER 95 Ca 0.00 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1jvr s SER 95 Cb 0.00 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.28 1jvr s SER 95 CO 0.00 -0.06 0.31 0.00 0.98 0.00 0.00 173.24 174.47 1jvr s ALA 96 N 0.46 2.19 0.00 5.32 0.00 -1.26 -4.13 121.76 124.34 1jvr s ALA 96 Ca -0.04 -2.73 0.00 0.00 0.00 0.00 0.00 51.96 49.19 1jvr s ALA 96 Cb -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1jvr s ALA 96 CO -0.01 -2.05 0.12 -0.35 0.00 0.00 0.00 175.76 173.47 1jvr n PRO 97 N 3.13 0.00 -2.70 0.00 -0.04 -1.26 -4.98 135.00 129.15 1jvr n PRO 97 Ca 0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1jvr n PRO 97 Cb 0.38 -0.62 0.03 0.00 -0.04 0.00 0.00 33.50 33.25 1jvr n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jvr s ALA 98 N -3.50 -4.31 0.20 0.55 0.00 -1.26 -5.04 121.76 108.40 1jvr s ALA 98 Ca 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 1jvr s ALA 98 Cb 0.00 -2.97 0.16 0.00 0.00 0.00 0.00 23.12 20.31 1jvr s ALA 98 CO 0.00 -2.50 1.58 0.00 0.00 0.00 0.00 175.76 174.84 1jvr h ALA 99 N 4.54 0.04 -2.61 0.00 0.00 -1.99 -3.38 119.26 115.86 1jvr h ALA 99 Ca -0.01 0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.58 1jvr h ALA 99 Cb 1.18 0.83 0.01 0.00 0.00 0.00 0.00 17.79 19.80 1jvr h ALA 99 CO -0.09 -0.65 0.50 -1.25 0.00 0.00 0.00 179.25 177.76 1jvr s PRO 100 N -6.00 4.54 0.10 0.00 0.04 -1.26 -5.05 135.00 127.38 1jvr s PRO 100 Ca -0.14 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 100 Cb 0.17 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1jvr s PRO 100 CO 0.70 -0.02 -0.10 0.14 0.04 0.00 0.00 177.00 177.75 1jvr s VAL 101 N 0.10 1.00 1.10 -0.36 -7.23 -1.26 -5.13 120.40 108.61 1jvr s VAL 101 Ca 0.52 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.83 1jvr s VAL 101 Cb -0.30 -1.42 0.25 0.00 0.56 0.00 0.00 36.38 35.48 1jvr s VAL 101 CO 0.34 -0.56 1.23 -2.16 -0.31 0.00 0.00 175.10 173.63 1jvr s PRO 102 N -2.86 -0.43 0.69 4.82 0.04 -1.26 -4.96 135.00 131.04 1jvr s PRO 102 Ca 0.07 -0.30 -0.17 0.00 0.04 0.00 0.00 61.00 60.64 1jvr s PRO 102 Cb -0.03 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.66 1jvr s PRO 102 CO 0.00 -3.14 -0.41 -2.37 0.04 0.00 0.00 177.00 171.12 1jvr n THR 103 N -4.31 0.00 -0.90 1.26 5.66 -1.26 -4.65 114.28 110.09 1jvr n THR 103 Ca 0.15 -0.47 -0.22 0.00 -3.05 0.00 0.00 64.05 60.46 1jvr n THR 103 Cb 0.59 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 1jvr n THR 103 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1jvr n PRO 104 N 1.84 2.31 0.00 1.09 -0.04 -1.26 -4.77 135.00 134.17 1jvr n PRO 104 Ca 0.03 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1jvr n PRO 104 Cb 0.48 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1jvr n PRO 104 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1jvr n ILE 105 N 3.43 0.00 -4.40 0.52 2.08 -1.26 -4.62 119.36 115.10 1jvr n ILE 105 Ca 0.49 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.60 1jvr n ILE 105 Cb 0.37 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.16 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jvr s PRO 107 N -3.61 -0.34 0.42 0.00 0.04 -1.26 -5.02 135.00 125.23 1jvr s PRO 107 Ca 0.26 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1jvr s PRO 107 Cb -0.02 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1jvr s PRO 107 CO 0.10 -3.09 0.00 2.41 0.04 0.00 0.00 177.00 176.46 1jvr n THR 108 N -4.28 0.00 -1.41 1.26 -1.04 -1.26 -5.06 114.28 102.49 1jvr n THR 108 Ca 0.15 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.66 1jvr n THR 108 Cb 0.59 -0.07 -0.04 0.00 -1.82 0.00 0.00 70.33 69.00 1jvr n THR 108 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1jvr n THR 109 N -3.39 1.70 -3.92 12.58 5.66 -1.26 -1.55 114.28 124.09 1jvr n THR 109 Ca 0.00 -0.42 -0.35 0.00 -3.05 0.00 0.00 64.05 60.22 1jvr n THR 109 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1jvr n THR 109 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jvr n THR 110 N 0.22 -2.71 -1.57 1.09 5.66 -1.26 -4.90 114.28 110.82 1jvr n THR 110 Ca 0.18 -0.31 -0.31 0.00 -3.05 0.00 0.00 64.05 60.57 1jvr n THR 110 Cb 0.22 -2.36 0.06 0.00 -1.55 0.00 0.00 70.33 66.70 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1jvr s PRO 111 N -6.23 2.78 -0.33 1.09 0.04 -0.59 -4.97 135.00 126.78 1jvr s PRO 111 Ca 0.26 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1jvr s PRO 111 Cb -0.14 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1jvr s PRO 111 CO 0.89 -1.20 1.36 -1.25 0.04 0.00 0.00 177.00 176.85 1jvr s PRO 112 N -5.07 3.80 0.72 0.56 0.04 -1.26 -5.01 135.00 128.78 1jvr s PRO 112 Ca 0.59 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 112 Cb -0.14 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1jvr s PRO 112 CO 0.55 -1.27 1.07 -1.25 0.04 0.00 0.00 177.00 176.13 1jvr s PRO 113 N 4.45 2.75 -0.33 0.56 0.04 -1.26 -4.97 135.00 136.24 1jvr s PRO 113 Ca 0.59 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1jvr s PRO 113 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1jvr s PRO 113 CO 0.27 -1.21 1.37 -1.25 0.04 0.00 0.00 177.00 176.21 1jvr s PRO 114 N -5.07 3.80 0.65 0.56 0.04 -1.26 -5.01 135.00 128.71 1jvr s PRO 114 Ca 0.59 1.19 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 114 Cb -0.14 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 1jvr s PRO 114 CO 0.55 -1.28 1.06 -1.25 0.04 0.00 0.00 177.00 176.12 1jvr s PRO 115 N 4.46 3.13 0.61 0.56 0.04 -1.26 -5.04 135.00 137.50 1jvr s PRO 115 Ca 0.59 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1jvr s PRO 115 Cb -0.17 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1jvr s PRO 115 CO 0.27 -0.95 1.05 -1.25 0.04 0.00 0.00 177.00 176.15 1jvr s PRO 116 N -4.63 3.29 0.99 0.56 0.04 -1.26 -5.05 135.00 128.94 1jvr s PRO 116 Ca 0.60 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 1jvr s PRO 116 Cb -0.15 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1jvr s PRO 116 CO 0.47 -0.83 1.18 -1.25 0.04 0.00 0.00 177.00 176.61 1jvr s PRO 117 N -4.32 0.44 -0.16 0.56 0.04 -1.26 -5.10 135.00 125.21 1jvr s PRO 117 Ca 0.62 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1jvr s PRO 117 Cb -0.15 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.74 1jvr s PRO 117 CO 0.41 -2.62 1.05 -1.12 0.04 0.00 0.00 177.00 174.76 1jvr s SER 118 N -4.20 -0.30 1.11 6.66 0.01 -1.26 -5.18 113.70 110.54 1jvr s SER 118 Ca 0.68 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 58.02 1jvr s SER 118 Cb -0.11 0.26 0.25 0.00 0.21 0.00 0.00 66.02 66.63 1jvr s SER 118 CO 0.54 -0.33 1.14 -0.81 0.41 0.00 0.00 173.24 174.19 1jvr n PRO 119 N 0.47 -2.09 -0.18 12.44 -0.04 -1.26 -4.95 135.00 139.39 1jvr n PRO 119 Ca -0.08 -1.79 -0.12 0.00 -0.04 0.00 0.00 63.50 61.47 1jvr n PRO 119 Cb 0.59 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 1jvr n PRO 119 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jvr h GLU 120 N 0.00 -0.31 0.00 0.54 3.07 -2.08 -3.43 114.58 112.37 1jvr h GLU 120 Ca -0.40 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1jvr h GLU 120 Cb 1.15 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1jvr h GLU 120 CO 0.27 -0.21 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 1jvr n ALA 121 N -3.11 0.00 0.00 3.43 0.00 -1.26 -4.74 120.51 114.82 1jvr n ALA 121 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jvr n ALA 121 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1jvr n ALA 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1jvr n HIS 122 N 0.00 0.00 -3.65 0.00 -0.00 -1.26 -4.70 115.22 105.61 1jvr n HIS 122 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1jvr n HIS 122 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 1jvr n HIS 122 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1jvr n VAL 123 N 0.00 -3.81 -2.37 3.57 3.14 -1.26 -4.79 118.33 112.81 1jvr n VAL 123 Ca 0.00 0.04 -0.43 0.00 -2.96 0.00 0.00 64.34 60.99 1jvr n VAL 123 Cb 0.00 -3.33 -0.02 0.00 -1.06 0.00 0.00 33.84 29.43 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jvr s PRO 124 N -3.80 3.80 0.82 1.45 0.04 -1.26 -5.01 135.00 131.03 1jvr s PRO 124 Ca 0.17 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1jvr s PRO 124 Cb -0.02 -3.94 0.08 0.00 0.04 0.00 0.00 34.50 30.66 1jvr s PRO 124 CO 0.89 -1.27 1.10 -1.25 0.04 0.00 0.00 177.00 176.51 1jvr s PRO 125 N 4.45 1.91 -1.16 0.56 0.04 -1.26 -4.92 135.00 134.63 1jvr s PRO 125 Ca 0.59 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.99 1jvr s PRO 125 Cb -0.16 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jvr s PRO 125 CO 0.27 -1.72 1.79 -1.25 0.04 0.00 0.00 177.00 176.12 1jvr s PRO 126 N -5.18 3.20 0.00 0.56 0.04 -1.26 -3.93 135.00 128.43 1jvr s PRO 126 Ca 0.61 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 60.32 1jvr s PRO 126 Cb -0.14 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1jvr s PRO 126 CO 0.54 -3.01 0.00 0.66 0.04 0.00 0.00 177.00 175.23 1jvr n TYR 127 N 11.36 -0.72 -2.58 0.56 4.01 -1.26 -4.94 117.16 123.58 1jvr n TYR 127 Ca 0.44 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.88 1jvr n TYR 127 Cb 0.47 0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.78 1jvr n TYR 127 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1jvr n VAL 128 N -2.07 3.01 -2.67 -0.72 0.24 -1.25 -4.78 118.33 110.09 1jvr n VAL 128 Ca 0.00 -5.16 -0.04 0.00 -2.04 0.00 0.00 64.34 57.10 1jvr n VAL 128 Cb 0.00 -1.33 0.05 0.00 -1.47 0.00 0.00 33.84 31.10 1jvr n VAL 128 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1jvr n GLU 129 N -0.38 0.10 -0.89 7.34 0.28 -1.26 -5.04 120.64 120.79 1jvr n GLU 129 Ca 0.39 -0.71 -0.21 0.00 -0.16 0.00 0.00 57.16 56.47 1jvr n GLU 129 Cb 0.50 -0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.30 1jvr n GLU 129 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1jvr n PRO 130 N 2.06 2.26 0.00 3.44 -0.04 -1.26 -4.88 135.00 136.58 1jvr n PRO 130 Ca 0.06 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1jvr n PRO 130 Cb 0.68 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.40 0.00 -0.02 0.52 5.66 -1.26 -2.52 114.28 120.06 1jvr n THR 131 Ca 0.48 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.46 1jvr n THR 131 Cb 0.38 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.16 1jvr n THR 131 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jvr n THR 132 N 0.00 0.58 -4.02 1.09 -1.04 -1.26 -5.07 114.28 104.55 1jvr n THR 132 Ca 0.00 0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 62.18 1jvr n THR 132 Cb 0.00 -1.65 -0.13 0.00 -1.82 0.00 0.00 70.33 66.73 1jvr n THR 132 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1jvr s THR 133 N -1.66 0.28 0.01 12.58 -1.32 -1.05 -4.99 115.64 119.50 1jvr s THR 133 Ca -0.08 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 1jvr s THR 133 Cb 0.01 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1jvr s THR 133 CO 0.12 -0.20 0.00 1.67 -2.21 0.00 0.00 174.62 174.00 1jvr n GLN 134 N 2.23 0.00 -0.47 7.08 7.27 -1.26 -5.03 117.38 127.19 1jvr n GLN 134 Ca -0.18 0.00 0.06 0.00 0.07 0.00 0.00 57.00 56.95 1jvr n GLN 134 Cb 0.57 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.19 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13