#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 -1.70 0.00 -0.41 0.00 -1.26 -3.29 117.12 110.45 1jvr n MET 1 Ca 0.00 1.62 0.00 0.00 -0.00 0.00 0.00 57.70 59.32 1jvr n MET 1 Cb 0.00 -5.25 0.00 0.00 0.00 0.00 0.00 33.22 27.97 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 -1.23 1.14 2.52 -5.12 0.00 -1.26 -4.16 105.19 97.08 1jvr n GLY 2 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1jvr n GLY 2 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jvr n GLN 3 N 0.00 0.71 -1.65 1.61 3.00 -1.26 -4.86 117.38 114.93 1jvr n GLN 3 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 1jvr n GLN 3 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 28.86 1jvr n GLN 3 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1jvr n ILE 4 N 1.71 -5.27 0.00 5.09 2.08 -1.26 -4.28 119.36 117.42 1jvr n ILE 4 Ca 0.15 2.38 0.00 0.00 0.56 0.00 0.00 62.75 65.84 1jvr n ILE 4 Cb 0.58 -3.22 0.00 0.00 -0.75 0.00 0.00 39.64 36.25 1jvr n ILE 4 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1jvr n HIS 5 N 0.08 0.00 0.00 1.39 -0.00 -1.26 -3.57 115.22 111.86 1jvr n HIS 5 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1jvr n HIS 5 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jvr n GLY 6 N 0.00 -0.22 4.34 1.57 0.00 -1.21 -4.55 105.19 105.12 1jvr n GLY 6 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.04 -0.03 0.99 0.00 -1.23 -4.84 117.00 110.85 1jvr n LEU 7 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 56.01 54.67 1jvr n LEU 7 Cb 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 43.42 41.70 1jvr n LEU 7 CO 0.00 0.39 0.28 0.28 0.00 0.00 0.00 177.39 178.34 1jvr h SER 8 N -1.59 -0.05 0.86 1.96 0.02 -1.86 -3.29 113.55 109.59 1jvr h SER 8 Ca -0.64 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 59.78 1jvr h SER 8 Cb 1.40 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1jvr h SER 8 CO 0.75 0.68 0.00 -0.81 -1.14 0.00 0.00 176.83 176.30 1jvr n PRO 9 N -4.75 0.07 -3.71 3.45 -0.04 -1.26 -4.94 135.00 123.83 1jvr n PRO 9 Ca -0.06 0.18 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 1jvr n PRO 9 Cb 0.28 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1jvr n PRO 9 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 10 N -1.73 -4.44 0.01 0.52 5.66 -1.24 -4.88 114.28 108.17 1jvr n THR 10 Ca 0.05 -0.16 -0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1jvr n THR 10 Cb 0.28 -3.55 -0.09 0.00 -1.55 0.00 0.00 70.33 65.41 1jvr n THR 10 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1jvr h PRO 11 N -0.49 0.70 -6.57 1.09 0.13 -1.92 -3.45 132.00 121.50 1jvr h PRO 11 Ca -0.55 -0.68 -0.52 0.00 -0.87 0.00 0.00 66.00 63.38 1jvr h PRO 11 Cb 1.34 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.62 1jvr h PRO 11 CO 0.38 1.27 0.16 0.42 -0.23 0.00 0.00 178.00 180.00 1jvr s ILE 12 N -3.47 4.44 -0.75 -3.56 1.01 -1.26 -4.93 121.20 112.67 1jvr s ILE 12 Ca -0.10 1.54 -0.06 0.00 0.00 0.00 0.00 60.65 62.02 1jvr s ILE 12 Cb 0.07 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 1jvr s ILE 12 CO 0.90 0.36 2.61 -0.81 0.00 0.00 0.00 174.94 178.00 1jvr n PRO 13 N 1.14 2.28 -0.12 2.79 -0.04 -1.26 -4.91 135.00 134.89 1jvr n PRO 13 Ca -0.04 -1.38 0.02 0.00 -0.04 0.00 0.00 63.50 62.06 1jvr n PRO 13 Cb 0.50 -2.32 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.44 -0.24 -0.02 0.54 0.00 -1.26 -4.14 118.16 116.48 1jvr n LYS 14 Ca 0.49 0.16 -0.07 0.00 -0.00 0.00 0.00 58.31 58.88 1jvr n LYS 14 Cb 0.37 -0.29 -0.06 0.00 -0.00 0.00 0.00 35.03 35.05 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jvr h ALA 15 N -0.37 -0.08 -1.03 0.58 0.00 -2.06 -3.41 119.26 112.89 1jvr h ALA 15 Ca 0.00 -0.22 -0.47 0.00 0.00 0.00 0.00 54.91 54.23 1jvr h ALA 15 Cb 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1jvr h ALA 15 CO 0.00 -0.09 1.14 -1.25 0.00 0.00 0.00 179.25 179.05 1jvr s PRO 16 N -2.28 3.05 -0.84 0.00 0.04 -1.26 -4.92 135.00 128.77 1jvr s PRO 16 Ca -0.09 -0.51 -0.22 0.00 0.04 0.00 0.00 61.00 60.21 1jvr s PRO 16 Cb -0.01 -5.00 0.08 0.00 0.04 0.00 0.00 34.50 29.61 1jvr s PRO 16 CO 0.34 -2.70 1.18 1.03 0.04 0.00 0.00 177.00 176.90 1jvr s ARG 17 N 6.06 3.39 -0.44 4.56 0.52 -1.26 -4.76 118.95 127.02 1jvr s ARG 17 Ca 0.56 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1jvr s ARG 17 Cb -0.05 -4.71 0.18 0.00 0.52 0.00 0.00 34.95 30.89 1jvr s ARG 17 CO -0.00 -1.95 0.55 0.20 0.02 0.00 0.00 175.30 174.11 1jvr s GLY 18 N 4.00 -0.50 -1.62 -3.53 0.00 -1.26 -4.94 107.32 99.47 1jvr s GLY 18 Ca 0.33 -0.81 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1jvr s GLY 18 CO 0.00 3.15 0.21 1.04 0.00 0.00 0.00 173.10 177.50 1jvr n LEU 19 N 3.55 -1.11 -1.10 0.66 7.99 -1.26 -4.41 117.00 121.31 1jvr n LEU 19 Ca 0.17 -1.23 0.12 0.00 -0.01 0.00 0.00 56.01 55.06 1jvr n LEU 19 Cb 0.52 -1.69 -0.04 0.00 -0.11 0.00 0.00 43.42 42.10 1jvr n LEU 19 CO 0.03 0.38 -0.28 -1.20 -1.51 0.00 0.00 177.39 174.81 1jvr n SER 20 N -2.80 -5.74 0.00 -1.43 7.64 -1.26 -0.09 113.62 109.94 1jvr n SER 20 Ca -0.21 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1jvr n SER 20 Cb 0.63 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 1jvr n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jvr n THR 21 N -3.43 0.00 -0.36 0.44 -1.04 -1.26 -2.06 114.28 106.56 1jvr n THR 21 Ca -0.02 0.00 0.37 0.00 -2.04 0.00 0.00 64.05 62.36 1jvr n THR 21 Cb 0.62 -0.02 0.66 0.00 -1.82 0.00 0.00 70.33 69.77 1jvr n THR 21 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1jvr h HIS 22 N 0.00 0.00 0.39 -1.42 3.86 -1.96 1.65 115.15 117.68 1jvr h HIS 22 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1jvr h HIS 22 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jvr h HIS 22 CO 0.00 0.00 -0.19 0.45 0.86 0.00 0.00 177.93 179.05 1jvr h HIS 23 N 0.00 -0.49 -0.34 2.45 -0.00 -1.74 -0.83 115.15 114.19 1jvr h HIS 23 Ca 0.62 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.90 1jvr h HIS 23 Cb 2.87 0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 30.43 1jvr h HIS 23 CO 0.00 -0.17 -0.09 2.35 -0.00 0.00 0.00 177.93 180.02 1jvr h TRP 24 N -0.99 0.75 -0.92 2.45 -0.00 0.39 -2.48 115.95 115.15 1jvr h TRP 24 Ca -0.05 -0.16 0.19 0.00 -0.00 0.00 0.00 58.89 58.87 1jvr h TRP 24 Cb 0.54 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.16 29.44 1jvr h TRP 24 CO 0.02 0.83 0.60 1.25 -0.00 0.00 0.00 178.44 181.14 1jvr h LEU 25 N 0.45 0.51 -2.52 0.65 5.85 0.20 1.42 115.31 121.86 1jvr h LEU 25 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jvr h LEU 25 Cb 0.59 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1jvr h LEU 25 CO 0.04 0.21 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.19 1jvr h ASN 26 N 0.51 0.00 0.11 1.25 -0.00 -0.66 1.32 115.58 118.11 1jvr h ASN 26 Ca 0.49 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.43 1jvr h ASN 26 Cb 1.07 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.32 1jvr h ASN 26 CO -0.22 0.02 -2.23 0.33 -0.00 0.00 0.00 177.43 175.33 1jvr n PHE 27 N -3.57 0.31 0.08 0.67 -0.00 0.45 -3.94 117.46 111.46 1jvr n PHE 27 Ca -0.03 0.10 -0.11 0.00 -0.00 0.00 0.00 57.45 57.41 1jvr n PHE 27 Cb 0.11 -1.05 -0.03 0.00 -0.00 0.00 0.00 39.48 38.50 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 0.01 0.34 0.09 -2.13 5.85 0.52 -2.62 115.31 117.36 1jvr h LEU 28 Ca -0.49 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 1jvr h LEU 28 Cb 2.12 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1jvr h LEU 28 CO 0.02 1.10 -0.04 1.56 -0.34 0.00 0.00 178.44 180.74 1jvr h GLN 29 N 0.13 -0.12 -0.66 1.25 4.20 0.15 0.27 115.11 120.34 1jvr h GLN 29 Ca -0.06 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1jvr h GLN 29 Cb 1.58 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.35 1jvr h GLN 29 CO 0.15 -0.07 0.38 0.00 -0.67 0.00 0.00 178.83 178.62 1jvr h ALA 30 N 0.78 0.84 -0.90 3.87 0.00 -1.68 0.18 119.26 122.35 1jvr h ALA 30 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jvr h ALA 30 Cb 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1jvr h ALA 30 CO 0.02 0.33 0.59 0.00 0.00 0.00 0.00 179.25 180.19 1jvr h ALA 31 N 1.19 1.38 0.00 0.00 0.00 -1.09 0.34 119.26 121.08 1jvr h ALA 31 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jvr h ALA 31 Cb -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1jvr h ALA 31 CO -0.04 0.56 0.00 -0.92 0.00 0.00 0.00 179.25 178.85 1jvr h TYR 32 N 1.19 0.00 0.00 0.00 3.20 0.48 -3.00 116.97 118.84 1jvr h TYR 32 Ca 0.34 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 62.02 1jvr h TYR 32 Cb -0.10 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1jvr h TYR 32 CO -0.00 0.00 -0.88 -0.09 -1.64 0.00 0.00 178.16 175.55 1jvr h ARG 33 N 0.00 0.00 0.00 1.82 2.43 0.14 -3.45 114.38 115.32 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 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1jvr h ARG 33 CO 0.00 0.88 0.00 1.28 -1.51 0.00 0.00 179.97 180.62 1jvr n LEU 34 N -3.42 0.00 -4.63 3.80 4.77 -0.52 -4.93 117.00 112.07 1jvr n LEU 34 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1jvr n LEU 34 Cb 0.86 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1jvr n LEU 34 CO 0.45 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 177.18 1jvr n GLN 35 N 0.00 1.58 -2.30 3.23 10.64 -1.26 -4.81 117.38 124.46 1jvr n GLN 35 Ca 0.00 0.56 -0.36 0.00 -1.83 0.00 0.00 57.00 55.37 1jvr n GLN 35 Cb 0.00 -2.03 -0.03 0.00 -0.86 0.00 0.00 30.24 27.32 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 0.55 2.41 -3.86 2.61 -0.04 -1.26 -4.71 135.00 130.69 1jvr n PRO 36 Ca 0.08 -2.86 -0.32 0.00 -0.04 0.00 0.00 63.50 60.36 1jvr n PRO 36 Cb 0.35 -3.60 -0.12 0.00 -0.04 0.00 0.00 33.50 30.09 1jvr n PRO 36 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jvr s GLY 37 N 5.29 2.54 -0.48 0.55 0.00 -1.26 -5.06 107.32 108.90 1jvr s GLY 37 Ca 0.61 -3.36 -0.28 0.00 0.00 0.00 0.00 44.72 41.69 1jvr s GLY 37 CO 0.10 1.05 1.45 2.56 0.00 0.00 0.00 173.10 178.26 1jvr s PRO 38 N -0.39 3.41 0.01 2.90 0.04 -1.26 -4.56 135.00 135.15 1jvr s PRO 38 Ca 0.18 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1jvr s PRO 38 Cb -0.22 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1jvr s PRO 38 CO -0.03 -1.79 0.00 0.43 0.04 0.00 0.00 177.00 175.65 1jvr n SER 39 N 9.38 0.00 0.00 6.66 7.64 -1.26 -4.90 113.62 131.14 1jvr n SER 39 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1jvr n SER 39 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1jvr n SER 39 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jvr n ASP 40 N 2.44 -0.02 -1.32 6.43 -0.08 -1.26 -4.03 116.55 118.71 1jvr n ASP 40 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1jvr n ASP 40 Cb 0.00 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.57 1jvr n ASP 40 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1jvr n PHE 41 N 0.00 0.69 0.35 -0.67 3.72 -1.26 -4.70 117.46 115.60 1jvr n PHE 41 Ca 0.00 -1.49 0.12 0.00 -0.05 0.00 0.00 57.45 56.03 1jvr n PHE 41 Cb 0.00 -0.24 0.18 0.00 -0.94 0.00 0.00 39.48 38.47 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1jvr h ASP 42 N 1.40 0.00 0.20 4.37 3.45 -1.95 -3.23 116.42 120.66 1jvr h ASP 42 Ca 0.01 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1jvr h ASP 42 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1jvr h ASP 42 CO 0.20 0.02 0.00 0.49 -1.57 0.00 0.00 179.24 178.38 1jvr n PHE 43 N -2.61 0.19 0.10 4.55 3.01 -1.26 -2.37 117.46 119.07 1jvr n PHE 43 Ca 0.03 0.09 -0.13 0.00 1.01 0.00 0.00 57.45 58.45 1jvr n PHE 43 Cb 0.49 -0.64 -0.08 0.00 -0.01 0.00 0.00 39.48 39.24 1jvr n PHE 43 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1jvr h GLN 44 N 0.00 -0.23 0.00 -1.08 3.07 -1.94 0.24 115.11 115.16 1jvr h GLN 44 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1jvr h GLN 44 Cb 0.10 0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1jvr h GLN 44 CO 0.00 0.01 0.00 0.37 0.09 0.00 0.00 178.83 179.30 1jvr h GLN 45 N -0.45 0.00 0.00 0.06 4.15 -1.73 -2.06 115.11 115.08 1jvr h GLN 45 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1jvr h GLN 45 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1jvr h GLN 45 CO 0.04 0.00 -0.43 1.25 -1.93 0.00 0.00 178.83 177.76 1jvr h LEU 46 N 0.00 0.00 -1.83 -2.39 6.46 -1.46 -3.32 115.31 112.76 1jvr h LEU 46 Ca 0.00 -0.29 0.02 0.00 -0.12 0.00 0.00 57.88 57.49 1jvr h LEU 46 Cb 0.09 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1jvr h LEU 46 CO 0.00 0.88 0.41 -0.09 -0.62 0.00 0.00 178.44 179.03 1jvr h ARG 47 N -1.00 0.00 -0.22 1.25 2.43 -0.17 0.71 114.38 117.39 1jvr h ARG 47 Ca -0.08 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1jvr h ARG 47 Cb 0.62 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1jvr h ARG 47 CO -0.05 0.00 -0.42 0.00 -1.51 0.00 0.00 179.97 177.99 1jvr h ARG 48 N 0.00 0.51 0.16 0.20 -0.00 -1.48 0.93 114.38 114.70 1jvr h ARG 48 Ca 0.04 -0.27 -0.33 0.00 -0.50 0.00 0.00 59.98 58.92 1jvr h ARG 48 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.85 1jvr h ARG 48 CO -0.00 0.84 -1.63 0.35 0.00 0.00 0.00 179.97 179.53 1jvr h PHE 49 N 0.42 0.62 -0.03 3.04 3.57 0.27 -3.04 116.94 121.79 1jvr h PHE 49 Ca 0.03 -0.45 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1jvr h PHE 49 Cb 0.91 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1jvr h PHE 49 CO 0.03 1.53 0.00 -0.07 -2.23 0.00 0.00 178.31 177.58 1jvr h LEU 50 N 0.09 0.05 -1.98 0.59 3.38 -1.20 -1.88 115.31 114.36 1jvr h LEU 50 Ca -0.29 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.41 1jvr h LEU 50 Cb 2.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 1jvr h LEU 50 CO 0.18 0.33 0.06 0.50 0.09 0.00 0.00 178.44 179.60 1jvr h LYS 51 N -0.22 0.02 0.10 1.13 1.63 -0.95 -0.18 116.57 118.09 1jvr h LYS 51 Ca 0.01 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jvr h LYS 51 Cb 0.30 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1jvr h LYS 51 CO 0.00 0.01 -0.05 1.25 -3.45 0.00 0.00 179.45 177.22 1jvr h LEU 52 N 0.02 -0.11 -1.73 5.20 6.46 -1.31 -2.52 115.31 121.32 1jvr h LEU 52 Ca 0.04 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1jvr h LEU 52 Cb 0.13 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1jvr h LEU 52 CO -0.00 0.13 -0.07 0.00 -0.62 0.00 0.00 178.44 177.88 1jvr h ALA 53 N 0.52 1.78 -0.58 1.25 0.00 -0.52 -0.61 119.26 121.09 1jvr h ALA 53 Ca -0.01 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1jvr h ALA 53 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jvr h ALA 53 CO 0.02 0.17 0.45 1.25 0.00 0.00 0.00 179.25 181.14 1jvr h LEU 54 N 0.08 0.00 -0.07 0.00 5.85 -0.61 1.75 115.31 122.32 1jvr h LEU 54 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jvr h LEU 54 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1jvr h LEU 54 CO 0.01 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 179.28 1jvr n LYS 55 N -4.20 0.02 -3.88 1.25 3.00 -0.24 -3.88 118.16 110.23 1jvr n LYS 55 Ca 0.11 0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 58.40 1jvr n LYS 55 Cb 0.69 -1.54 -0.13 0.00 0.00 0.00 0.00 35.03 34.06 1jvr n LYS 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1jvr s THR 56 N -3.03 2.59 -0.47 3.15 2.01 0.60 -4.97 115.64 115.51 1jvr s THR 56 Ca 0.07 -3.81 -0.06 0.00 0.31 0.00 0.00 61.69 58.20 1jvr s THR 56 Cb 0.10 -2.73 -0.15 0.00 0.01 0.00 0.00 72.50 69.72 1jvr s THR 56 CO 0.28 -0.95 2.71 -0.81 -0.69 0.00 0.00 174.62 175.16 1jvr n PRO 57 N 2.44 1.99 -0.00 4.92 -0.04 -1.25 -3.37 135.00 139.69 1jvr n PRO 57 Ca 0.15 -1.14 0.01 0.00 -0.04 0.00 0.00 63.50 62.48 1jvr n PRO 57 Cb 0.35 -2.15 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.12 0.01 0.01 0.52 0.13 -1.26 -4.44 119.36 117.45 1jvr n ILE 58 Ca 0.43 -0.04 0.06 0.00 -1.10 0.00 0.00 62.75 62.09 1jvr n ILE 58 Cb 0.49 0.30 -0.12 0.00 -0.84 0.00 0.00 39.64 39.48 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 -1.62 0.39 0.11 9.51 4.27 -1.22 -3.99 117.44 124.89 1jvr n TRP 59 Ca -0.01 0.12 -0.12 0.00 -3.89 0.00 0.00 57.50 53.60 1jvr n TRP 59 Cb 0.10 -0.78 -0.08 0.00 -1.36 0.00 0.00 31.31 29.20 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 -0.26 -0.26 5.67 4.07 -1.81 1.11 115.31 123.83 1jvr h LEU 60 Ca -0.11 -0.25 0.04 0.00 0.08 0.00 0.00 57.88 57.64 1jvr h LEU 60 Cb 1.28 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 43.01 1jvr h LEU 60 CO 0.01 0.16 -0.54 0.78 -1.08 0.00 0.00 178.44 177.78 1jvr h ASN 61 N -0.74 -1.74 0.76 -0.43 4.21 -1.78 0.37 115.58 116.23 1jvr h ASN 61 Ca -0.03 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1jvr h ASN 61 Cb 0.50 0.70 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1jvr h ASN 61 CO 0.05 -0.44 0.00 -0.81 -1.29 0.00 0.00 177.43 174.94 1jvr n PRO 62 N -5.41 0.01 -2.81 0.81 -0.04 -1.23 -4.96 135.00 121.36 1jvr n PRO 62 Ca -0.05 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1jvr n PRO 62 Cb 0.36 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.53 -1.86 -3.37 0.52 0.13 0.38 -4.98 119.36 108.64 1jvr n ILE 63 Ca 0.05 0.38 0.02 0.00 -1.10 0.00 0.00 62.75 62.10 1jvr n ILE 63 Cb 0.26 -2.58 -0.03 0.00 -0.84 0.00 0.00 39.64 36.45 1jvr n ILE 63 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1jvr s ASP 64 N -0.89 -1.08 0.17 9.51 1.01 -1.00 -5.00 116.67 119.39 1jvr s ASP 64 Ca 0.04 1.07 0.13 0.00 0.71 0.00 0.00 52.55 54.49 1jvr s ASP 64 Cb -0.00 2.06 0.66 0.00 1.01 0.00 0.00 42.92 46.65 1jvr s ASP 64 CO 0.08 -0.20 1.39 0.00 0.21 0.00 0.00 175.17 176.65 1jvr n TYR 65 N 5.37 0.40 0.30 4.23 4.19 -1.26 -1.44 117.16 128.96 1jvr n TYR 65 Ca -0.07 0.20 0.16 0.00 3.31 0.00 0.00 57.90 61.50 1jvr n TYR 65 Cb 0.51 -0.83 0.93 0.00 0.49 0.00 0.00 39.34 40.44 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 0.71 2.98 4.64 -1.98 0.21 113.55 120.12 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jvr h SER 66 CO 0.00 0.01 -1.13 -0.11 -0.87 0.00 0.00 176.83 174.73 1jvr n LEU 67 N -3.76 0.66 0.35 5.97 0.00 -0.52 -3.98 117.00 115.71 1jvr n LEU 67 Ca -0.03 0.20 -0.14 0.00 0.00 0.00 0.00 56.01 56.04 1jvr n LEU 67 Cb 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 43.42 43.37 1jvr n LEU 67 CO 0.27 -0.10 0.40 -0.07 0.00 0.00 0.00 177.39 177.89 1jvr h LEU 68 N 0.00 -0.77 -1.95 -1.96 3.38 -0.68 -1.74 115.31 111.59 1jvr h LEU 68 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jvr h LEU 68 Cb 0.92 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jvr h LEU 68 CO 0.00 -0.44 0.37 0.00 0.09 0.00 0.00 178.44 178.46 1jvr h ALA 69 N -1.35 1.47 -0.07 1.53 0.00 -1.65 0.35 119.26 119.54 1jvr h ALA 69 Ca -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1jvr h ALA 69 Cb 0.70 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1jvr h ALA 69 CO 0.15 -0.40 -0.36 1.03 0.00 0.00 0.00 179.25 179.67 1jvr h SER 70 N 0.00 0.44 -0.72 0.00 0.87 -1.57 -3.05 113.55 109.52 1jvr h SER 70 Ca 0.03 -0.66 0.19 0.00 -1.23 0.00 0.00 61.79 60.13 1jvr h SER 70 Cb 0.77 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1jvr h SER 70 CO -0.00 1.03 0.51 -0.07 -0.53 0.00 0.00 176.83 177.76 1jvr h LEU 71 N -0.12 0.11 -9.32 2.23 4.07 0.58 -3.40 115.31 109.46 1jvr h LEU 71 Ca -0.03 0.01 -0.56 0.00 0.08 0.00 0.00 57.88 57.39 1jvr h LEU 71 Cb 1.02 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.77 1jvr h LEU 71 CO 0.08 0.05 1.21 -0.38 -1.08 0.00 0.00 178.44 178.31 1jvr n ILE 72 N -4.38 0.71 -0.69 1.22 5.41 -1.12 -4.81 119.36 115.71 1jvr n ILE 72 Ca 0.14 -0.14 -0.08 0.00 1.00 0.00 0.00 62.75 63.68 1jvr n ILE 72 Cb 0.72 -2.20 -0.11 0.00 -0.71 0.00 0.00 39.64 37.33 1jvr n ILE 72 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1jvr n PRO 73 N 7.34 1.38 -1.17 0.38 -0.04 -1.26 -4.80 135.00 136.84 1jvr n PRO 73 Ca 0.21 -0.64 -0.01 0.00 -0.04 0.00 0.00 63.50 63.03 1jvr n PRO 73 Cb 0.38 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1jvr n PRO 73 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jvr n LYS 74 N 2.48 -0.09 0.00 0.54 2.85 -1.26 -4.07 118.16 118.61 1jvr n LYS 74 Ca 0.27 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 1jvr n LYS 74 Cb 0.64 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jvr n GLY 75 N 0.63 0.18 2.81 2.58 0.00 -1.26 -5.12 105.19 105.01 1jvr n GLY 75 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jvr n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jvr n TYR 76 N 0.00 -2.17 -0.64 1.61 9.36 -1.26 -4.95 117.16 119.11 1jvr n TYR 76 Ca 0.00 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1jvr n TYR 76 Cb 0.00 -1.49 0.00 0.00 -0.63 0.00 0.00 39.34 37.22 1jvr n TYR 76 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jvr n PRO 77 N 1.23 -0.29 -1.09 2.98 -0.04 -1.26 -4.89 135.00 131.64 1jvr n PRO 77 Ca 0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1jvr n PRO 77 Cb 0.38 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.80 1jvr n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvr n GLY 78 N 3.74 -1.54 1.74 0.55 0.00 -1.26 -4.24 105.19 104.17 1jvr n GLY 78 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.36 4.34 -0.11 1.61 1.74 -1.26 -4.42 116.66 115.21 1jvr n ARG 79 Ca -0.01 -2.95 -0.08 0.00 -0.77 0.00 0.00 57.85 54.05 1jvr n ARG 79 Cb 0.63 -2.10 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1jvr n ARG 79 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1jvr h VAL 80 N 3.92 1.07 -0.76 1.55 3.04 -1.90 -1.84 116.25 121.32 1jvr h VAL 80 Ca 0.00 -0.16 -0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1jvr h VAL 80 Cb 1.73 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 1jvr h VAL 80 CO 0.38 0.08 0.28 0.58 -1.01 0.00 0.00 177.57 177.88 1jvr h VAL 81 N 0.46 1.26 -0.33 1.51 2.07 -1.80 -1.07 116.25 118.35 1jvr h VAL 81 Ca 0.14 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.90 1jvr h VAL 81 Cb -0.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1jvr h VAL 81 CO -0.05 0.34 0.30 -0.33 0.02 0.00 0.00 177.57 177.85 1jvr h GLU 82 N 1.12 0.00 0.17 1.57 4.39 -1.64 1.71 114.58 121.90 1jvr h GLU 82 Ca 0.25 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.60 1jvr h GLU 82 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1jvr h GLU 82 CO -0.02 0.00 -1.76 0.82 -1.16 0.00 0.00 179.01 176.89 1jvr h ILE 83 N 0.00 0.92 -0.28 3.13 2.04 -0.67 -3.32 117.51 119.32 1jvr h ILE 83 Ca 0.15 -2.52 -0.15 0.00 1.00 0.00 0.00 64.86 63.34 1jvr h ILE 83 Cb 0.76 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 1jvr h ILE 83 CO -0.00 0.86 -0.43 0.40 0.00 0.00 0.00 178.15 178.97 1jvr h ILE 84 N 0.10 1.29 -0.63 -0.67 2.04 0.26 -2.57 117.51 117.34 1jvr h ILE 84 Ca -0.34 -1.62 0.18 0.00 1.00 0.00 0.00 64.86 64.08 1jvr h ILE 84 Cb 2.09 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 1jvr h ILE 84 CO 0.17 0.52 0.47 0.78 0.00 0.00 0.00 178.15 180.09 1jvr h ASN 85 N 0.57 0.00 0.95 1.72 2.35 0.23 1.56 115.58 122.97 1jvr h ASN 85 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1jvr h ASN 85 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 1jvr h ASN 85 CO 0.09 0.00 -0.12 0.40 -1.65 0.00 0.00 177.43 176.15 1jvr h ILE 86 N 0.00 0.31 0.12 2.81 2.04 -1.55 0.82 117.51 122.05 1jvr h ILE 86 Ca 0.30 -0.83 -0.29 0.00 1.00 0.00 0.00 64.86 65.04 1jvr h ILE 86 Cb 1.25 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1jvr h ILE 86 CO -0.00 0.12 -1.51 -0.07 0.00 0.00 0.00 178.15 176.69 1jvr h LEU 87 N 0.00 0.38 -0.12 1.44 3.38 0.21 -3.27 115.31 117.33 1jvr h LEU 87 Ca -0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 1jvr h LEU 87 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jvr h LEU 87 CO 0.02 1.66 0.04 0.58 0.09 0.00 0.00 178.44 180.83 1jvr h VAL 88 N -0.26 1.16 -0.12 1.22 2.07 -0.85 -1.32 116.25 118.14 1jvr h VAL 88 Ca -0.33 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1jvr h VAL 88 Cb 1.80 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1jvr h VAL 88 CO 0.06 0.14 0.30 0.50 0.02 0.00 0.00 177.57 178.59 1jvr h LYS 89 N 0.03 0.00 -0.73 1.57 3.64 -0.99 1.41 116.57 121.50 1jvr h LYS 89 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jvr h LYS 89 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1jvr h LYS 89 CO -0.00 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 175.47 1jvr n ASN 90 N -3.23 3.53 -0.05 4.20 2.85 -0.50 -4.19 115.26 117.87 1jvr n ASN 90 Ca 0.00 -2.47 -0.03 0.00 -0.11 0.00 0.00 54.58 51.97 1jvr n ASN 90 Cb 0.39 -0.57 -0.01 0.00 1.24 0.00 0.00 39.78 40.83 1jvr n ASN 90 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1jvr n GLN 91 N 0.39 0.32 -1.82 1.20 7.27 0.48 -4.92 117.38 120.31 1jvr n GLN 91 Ca 0.15 0.44 -0.11 0.00 0.07 0.00 0.00 57.00 57.56 1jvr n GLN 91 Cb 0.74 -1.41 -0.03 0.00 2.41 0.00 0.00 30.24 31.95 1jvr n GLN 91 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1jvr n VAL 92 N -3.93 -0.23 -3.85 1.69 0.24 -1.26 -4.87 118.33 106.13 1jvr n VAL 92 Ca -0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 1jvr n VAL 92 Cb 0.19 -1.25 -0.12 0.00 -1.47 0.00 0.00 33.84 31.18 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jvr s SER 93 N -1.96 4.86 -0.18 -1.34 0.15 -1.26 -5.07 113.70 108.90 1jvr s SER 93 Ca 0.00 -2.70 -0.29 0.00 0.70 0.00 0.00 55.95 53.66 1jvr s SER 93 Cb 0.00 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1jvr s SER 93 CO 0.00 -0.35 1.28 -2.16 1.20 0.00 0.00 173.24 173.21 1jvr s PRO 94 N 0.16 4.18 0.52 5.44 0.04 -1.26 -5.02 135.00 139.07 1jvr s PRO 94 Ca 0.15 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1jvr s PRO 94 Cb -0.22 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.53 1jvr s PRO 94 CO -0.03 -0.77 0.78 -1.54 0.04 0.00 0.00 177.00 175.48 1jvr s SER 95 N 2.15 5.65 -0.98 6.66 1.04 -1.26 -4.89 113.70 122.08 1jvr s SER 95 Ca 0.56 0.43 -0.30 0.00 0.48 0.00 0.00 55.95 57.12 1jvr s SER 95 Cb -0.21 -1.53 -0.22 0.00 0.10 0.00 0.00 66.02 64.16 1jvr s SER 95 CO 0.16 -0.91 2.63 0.00 0.98 0.00 0.00 173.24 176.10 1jvr n ALA 96 N -2.33 0.29 -0.91 5.32 0.00 -1.26 -4.68 120.51 116.95 1jvr n ALA 96 Ca 0.03 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1jvr n ALA 96 Cb 0.58 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 1jvr n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 97 N 8.27 2.36 -3.16 0.00 -0.04 -1.26 -4.51 135.00 136.65 1jvr n PRO 97 Ca 0.64 -1.44 0.05 0.00 -0.04 0.00 0.00 63.50 62.72 1jvr n PRO 97 Cb 0.03 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.11 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 2.42 -3.66 0.00 0.55 0.00 -1.26 -5.04 121.76 114.77 1jvr s ALA 98 Ca 0.52 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1jvr s ALA 98 Cb 0.17 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1jvr s ALA 98 CO -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 175.76 174.32 1jvr n ALA 99 N 5.35 0.00 -0.88 0.00 0.00 -1.26 -5.00 120.51 118.72 1jvr n ALA 99 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1jvr n ALA 99 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 1jvr n ALA 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jvr n PRO 100 N 0.00 2.22 -4.06 0.00 -0.04 -1.26 -4.79 135.00 127.07 1jvr n PRO 100 Ca 0.00 -1.33 -0.10 0.00 -0.04 0.00 0.00 63.50 62.03 1jvr n PRO 100 Cb 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 1jvr n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jvr s VAL 101 N 2.31 0.34 0.15 0.52 -7.23 -1.26 -5.04 120.40 110.19 1jvr s VAL 101 Ca 0.51 -1.39 0.13 0.00 -1.81 0.00 0.00 61.98 59.41 1jvr s VAL 101 Cb 0.18 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 1jvr s VAL 101 CO -0.03 -0.69 1.55 1.55 -0.31 0.00 0.00 175.10 177.18 1jvr h PRO 102 N 3.88 0.00 0.00 4.82 0.13 -2.06 -3.47 132.00 135.29 1jvr h PRO 102 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1jvr h PRO 102 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jvr h PRO 102 CO 0.53 0.62 0.00 2.41 -0.23 0.00 0.00 178.00 181.32 1jvr n THR 103 N -3.55 0.00 -2.51 1.56 -1.04 -1.26 -5.14 114.28 102.34 1jvr n THR 103 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1jvr n THR 103 Cb 0.67 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 1jvr n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 104 N 0.00 4.58 0.00 -2.82 0.04 -1.26 -4.79 135.00 130.74 1jvr s PRO 104 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1jvr s PRO 104 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1jvr s PRO 104 CO 0.00 0.18 0.00 1.51 0.04 0.00 0.00 177.00 178.73 1jvr n ILE 105 N 1.00 0.00 -3.59 0.56 0.13 -1.26 -4.96 119.36 111.25 1jvr n ILE 105 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.59 1jvr n ILE 105 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.23 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1jvr s PRO 107 N -1.88 4.58 -1.23 0.00 0.04 -1.26 -4.95 135.00 130.30 1jvr s PRO 107 Ca 0.05 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 1jvr s PRO 107 Cb -0.01 -3.26 0.19 0.00 0.04 0.00 0.00 34.50 31.46 1jvr s PRO 107 CO -0.04 0.07 2.00 -2.37 0.04 0.00 0.00 177.00 176.69 1jvr n THR 108 N 2.27 5.09 -2.88 1.26 5.66 -1.26 -4.79 114.28 119.63 1jvr n THR 108 Ca 0.03 -4.84 -0.36 0.00 -3.05 0.00 0.00 64.05 55.82 1jvr n THR 108 Cb 0.46 -2.09 -0.01 0.00 -1.55 0.00 0.00 70.33 67.14 1jvr n THR 108 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jvr n THR 109 N 1.93 4.81 -0.02 1.09 -2.24 -1.26 -4.77 114.28 113.82 1jvr n THR 109 Ca 0.47 -5.80 -0.12 0.00 -2.27 0.00 0.00 64.05 56.33 1jvr n THR 109 Cb 0.30 -1.68 -0.10 0.00 -2.10 0.00 0.00 70.33 66.74 1jvr n THR 109 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jvr h THR 110 N 2.76 1.36 -4.32 4.28 2.02 -2.04 -3.46 112.91 113.51 1jvr h THR 110 Ca 0.33 -1.58 -0.51 0.00 0.77 0.00 0.00 66.41 65.42 1jvr h THR 110 Cb 0.46 2.37 0.09 0.00 -1.74 0.00 0.00 68.15 69.34 1jvr h THR 110 CO 1.09 0.38 0.37 -2.16 0.37 0.00 0.00 175.52 175.57 1jvr s PRO 111 N -3.20 2.99 0.79 6.66 0.04 -1.26 -5.05 135.00 135.97 1jvr s PRO 111 Ca -0.16 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 1jvr s PRO 111 Cb -0.00 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1jvr s PRO 111 CO 0.61 -1.06 1.09 -1.25 0.04 0.00 0.00 177.00 176.44 1jvr s PRO 112 N -4.93 2.18 0.59 0.56 0.04 -1.26 -5.04 135.00 127.14 1jvr s PRO 112 Ca 0.59 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1jvr s PRO 112 Cb -0.14 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1jvr s PRO 112 CO 0.53 -1.57 1.05 -1.25 0.04 0.00 0.00 177.00 175.80 1jvr s PRO 113 N -5.14 3.37 0.68 0.56 0.04 -1.26 -5.04 135.00 128.20 1jvr s PRO 113 Ca 0.60 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 113 Cb -0.14 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1jvr s PRO 113 CO 0.54 -0.77 1.06 -1.25 0.04 0.00 0.00 177.00 176.62 1jvr s PRO 114 N -4.14 3.00 0.94 0.56 0.04 -1.26 -5.05 135.00 129.08 1jvr s PRO 114 Ca 0.63 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 1jvr s PRO 114 Cb -0.15 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.55 1jvr s PRO 114 CO 0.38 -1.05 1.15 -1.25 0.04 0.00 0.00 177.00 176.26 1jvr s PRO 115 N -4.92 0.90 0.91 0.56 0.04 -1.26 -5.06 135.00 126.17 1jvr s PRO 115 Ca 0.59 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 1jvr s PRO 115 Cb -0.14 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1jvr s PRO 115 CO 0.53 -2.34 1.14 -1.25 0.04 0.00 0.00 177.00 175.11 1jvr s PRO 116 N -5.35 1.16 -0.80 0.56 0.04 -1.26 -4.88 135.00 124.47 1jvr s PRO 116 Ca 0.65 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 1jvr s PRO 116 Cb -0.13 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1jvr s PRO 116 CO 0.53 -2.19 2.61 -0.35 0.04 0.00 0.00 177.00 177.65 1jvr n PRO 117 N -3.76 2.35 -3.57 0.56 -0.04 -1.26 -4.72 135.00 124.55 1jvr n PRO 117 Ca 0.07 -1.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.00 1jvr n PRO 117 Cb 0.59 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 1jvr n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jvr s SER 118 N 2.65 -0.36 0.11 3.54 0.15 -1.26 -5.05 113.70 113.49 1jvr s SER 118 Ca 0.52 0.37 -0.09 0.00 0.70 0.00 0.00 55.95 57.45 1jvr s SER 118 Cb 0.17 0.30 -0.13 0.00 -1.71 0.00 0.00 66.02 64.65 1jvr s SER 118 CO -0.03 -0.35 1.29 1.55 1.20 0.00 0.00 173.24 176.90 1jvr h PRO 119 N 2.51 0.60 -6.50 5.44 0.13 -2.03 -3.44 132.00 128.72 1jvr h PRO 119 Ca -0.18 -0.58 -0.53 0.00 -0.87 0.00 0.00 66.00 63.84 1jvr h PRO 119 Cb 1.17 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1jvr h PRO 119 CO 0.31 1.20 0.37 -2.00 -0.23 0.00 0.00 178.00 177.65 1jvr s GLU 120 N -3.45 4.63 0.30 0.86 2.12 -1.26 -4.80 118.70 117.10 1jvr s GLU 120 Ca -0.08 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.70 1jvr s GLU 120 Cb 0.08 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1jvr s GLU 120 CO 0.89 0.08 0.00 0.00 -0.54 0.00 0.00 175.26 175.69 1jvr n ALA 121 N 3.29 1.03 -2.11 6.30 0.00 -1.26 -5.00 120.51 122.75 1jvr n ALA 121 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1jvr n ALA 121 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1jvr n ALA 121 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1jvr s HIS 122 N -2.00 3.25 -0.97 0.00 -3.43 -1.26 -4.79 115.29 106.08 1jvr s HIS 122 Ca 0.00 1.06 -0.30 0.00 -0.80 0.00 0.00 55.06 55.02 1jvr s HIS 122 Cb 0.00 -3.65 -0.22 0.00 -1.43 0.00 0.00 32.58 27.28 1jvr s HIS 122 CO 0.00 -2.18 2.62 1.55 -2.00 0.00 0.00 174.74 174.73 1jvr n VAL 123 N 3.43 0.00 -2.03 -5.38 3.14 -1.26 -4.84 118.33 111.40 1jvr n VAL 123 Ca 0.09 -0.01 -0.32 0.00 -2.96 0.00 0.00 64.34 61.14 1jvr n VAL 123 Cb 0.42 -0.48 0.01 0.00 -1.06 0.00 0.00 33.84 32.74 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 8.73 3.34 0.60 1.45 0.04 -1.26 -5.04 135.00 142.86 1jvr s PRO 124 Ca 1.32 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 1jvr s PRO 124 Cb -1.22 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1jvr s PRO 124 CO 0.48 -0.79 1.05 -1.25 0.04 0.00 0.00 177.00 176.53 1jvr s PRO 125 N -4.19 3.35 -0.01 0.56 0.04 -1.26 -5.03 135.00 128.47 1jvr s PRO 125 Ca 0.62 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 1jvr s PRO 125 Cb -0.15 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 125 CO 0.38 -0.78 0.26 -1.00 0.04 0.00 0.00 177.00 175.90 1jvr h PRO 126 N 0.37 -0.03 0.00 0.56 0.13 -2.04 -3.49 132.00 127.50 1jvr h PRO 126 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jvr h PRO 126 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jvr h PRO 126 CO 0.58 -0.02 0.00 2.48 -0.23 0.00 0.00 178.00 180.81 1jvr n TYR 127 N -2.31 -0.71 0.09 1.56 0.18 -1.26 -4.90 117.16 109.81 1jvr n TYR 127 Ca -0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1jvr n TYR 127 Cb 0.01 0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 1jvr n TYR 127 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1jvr n VAL 128 N -0.09 0.16 -0.81 -3.48 0.31 -1.26 -5.08 118.33 108.08 1jvr n VAL 128 Ca 0.00 0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.48 1jvr n VAL 128 Cb 0.00 -0.54 -0.05 0.00 -0.91 0.00 0.00 33.84 32.33 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 -3.16 -1.88 0.15 5.55 1.02 -1.26 -3.50 120.64 117.57 1jvr n GLU 129 Ca 0.00 1.53 0.02 0.00 -0.02 0.00 0.00 57.16 58.69 1jvr n GLU 129 Cb 0.00 -2.19 0.18 0.00 -0.02 0.00 0.00 31.44 29.40 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jvr h PRO 130 N -0.80 0.00 0.09 3.49 0.13 -2.04 -3.33 132.00 129.54 1jvr h PRO 130 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1jvr h PRO 130 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jvr h PRO 130 CO 0.04 0.53 -0.04 1.15 -0.23 0.00 0.00 178.00 179.45 1jvr h THR 131 N 0.00 0.00 -3.23 1.56 2.02 -2.06 -3.44 112.91 107.76 1jvr h THR 131 Ca -0.01 -0.91 -0.53 0.00 0.77 0.00 0.00 66.41 65.74 1jvr h THR 131 Cb 1.16 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1jvr h THR 131 CO 0.07 0.00 0.56 -0.89 0.37 0.00 0.00 175.52 175.63 1jvr s THR 132 N -1.94 3.95 0.00 3.16 2.01 -1.23 -4.88 115.64 116.72 1jvr s THR 132 Ca -0.02 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.41 1jvr s THR 132 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1jvr s THR 132 CO 0.05 0.13 0.00 0.35 -0.69 0.00 0.00 174.62 174.46 1jvr n THR 133 N 3.72 0.00 0.00 -0.82 -2.24 -1.26 -4.21 114.28 109.47 1jvr n THR 133 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1jvr n THR 133 Cb 0.46 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jvr n GLN 134 N -2.41 0.00 0.00 -0.78 6.02 -1.26 -4.76 117.38 114.19 1jvr n GLN 134 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jvr n GLN 134 Cb 0.31 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.57 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05