#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 -3.82 -0.41 3.85 -1.26 -4.71 117.12 110.77 1jvr n MET 1 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.70 56.45 1jvr n MET 1 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 33.22 32.00 1jvr n MET 1 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvr s GLY 2 N -0.92 0.67 -1.18 3.17 0.00 -1.26 -5.03 107.32 102.78 1jvr s GLY 2 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.23 1jvr s GLY 2 CO 0.00 1.06 2.48 -0.18 0.00 0.00 0.00 173.10 176.47 1jvr n GLN 3 N 5.04 2.73 0.00 2.90 7.27 -1.26 -4.91 117.38 129.14 1jvr n GLN 3 Ca -0.09 -1.74 0.00 0.00 0.07 0.00 0.00 57.00 55.24 1jvr n GLN 3 Cb 0.49 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.57 1jvr n GLN 3 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1jvr n ILE 4 N 3.90 0.00 -0.04 1.69 -0.00 -1.26 -4.39 119.36 119.26 1jvr n ILE 4 Ca 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 63.32 1jvr n ILE 4 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.82 1jvr n ILE 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 1jvr h HIS 5 N 0.00 0.00 0.00 4.28 3.86 -2.07 -3.49 115.15 117.73 1jvr h HIS 5 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jvr h HIS 5 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jvr h HIS 5 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1jvr n GLY 6 N 1.75 1.66 0.62 2.45 0.00 -1.26 -5.14 105.19 105.27 1jvr n GLY 6 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.44 0.00 0.99 7.94 -1.26 -5.07 117.00 119.16 1jvr n LEU 7 Ca 0.00 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 1jvr n LEU 7 Cb 0.00 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.51 1jvr n LEU 7 CO 0.00 -0.99 0.00 -0.24 -1.11 0.00 0.00 177.39 175.05 1jvr n SER 8 N -3.06 0.00 -4.68 1.96 2.88 -1.26 -5.13 113.62 104.33 1jvr n SER 8 Ca -0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 1jvr n SER 8 Cb 0.30 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 1jvr n SER 8 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jvr s PRO 9 N -2.00 4.31 0.50 -1.46 0.04 -1.26 -5.00 135.00 130.13 1jvr s PRO 9 Ca 0.00 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.51 1jvr s PRO 9 Cb 0.00 -3.62 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 1jvr s PRO 9 CO 0.00 -0.53 1.24 0.99 0.04 0.00 0.00 177.00 178.73 1jvr s THR 10 N 2.61 2.72 0.00 1.26 2.01 -1.26 -5.01 115.64 117.96 1jvr s THR 10 Ca 0.56 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1jvr s THR 10 Cb -0.24 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1jvr s THR 10 CO 0.20 -0.01 0.02 -0.81 -0.69 0.00 0.00 174.62 173.33 1jvr n PRO 11 N -0.73 0.00 -2.13 4.92 -0.04 -1.26 -4.95 135.00 130.80 1jvr n PRO 11 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1jvr n PRO 11 Cb 0.47 -0.20 0.01 0.00 -0.04 0.00 0.00 33.50 33.74 1jvr n PRO 11 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jvr n ILE 12 N -0.08 -1.44 -1.57 0.52 -6.64 -1.26 -4.86 119.36 104.03 1jvr n ILE 12 Ca 0.00 0.21 -0.30 0.00 -1.77 0.00 0.00 62.75 60.88 1jvr n ILE 12 Cb 0.00 -1.77 0.07 0.00 -1.44 0.00 0.00 39.64 36.50 1jvr n ILE 12 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1jvr s PRO 13 N -0.81 2.49 -0.36 6.28 0.04 -1.26 -5.00 135.00 136.39 1jvr s PRO 13 Ca 0.07 0.78 0.13 0.00 0.04 0.00 0.00 61.00 62.02 1jvr s PRO 13 Cb -0.01 -1.95 0.38 0.00 0.04 0.00 0.00 34.50 32.96 1jvr s PRO 13 CO 0.15 -1.37 0.85 1.17 0.04 0.00 0.00 177.00 177.85 1jvr n LYS 14 N -3.28 1.04 0.00 4.56 3.00 -1.26 -4.80 118.16 117.42 1jvr n LYS 14 Ca 0.07 -3.18 0.00 0.00 -0.00 0.00 0.00 58.31 55.20 1jvr n LYS 14 Cb 0.55 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 34.13 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 0.14 0.00 -1.78 3.14 0.00 -1.26 -5.14 120.51 115.61 1jvr n ALA 15 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 1jvr n ALA 15 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1jvr n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jvr s PRO 16 N 0.00 4.11 -0.26 0.00 0.04 -1.26 -4.91 135.00 132.72 1jvr s PRO 16 Ca 0.00 1.50 -0.34 0.00 0.04 0.00 0.00 61.00 62.20 1jvr s PRO 16 Cb 0.00 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 1jvr s PRO 16 CO 0.00 -0.19 2.08 2.89 0.04 0.00 0.00 177.00 181.82 1jvr n ARG 17 N -0.19 1.50 0.00 4.56 1.85 -1.26 -4.84 116.66 118.28 1jvr n ARG 17 Ca 0.06 0.47 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 1jvr n ARG 17 Cb 0.50 -2.60 0.00 0.00 -1.05 0.00 0.00 32.46 29.31 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jvr n GLY 18 N 5.68 2.13 3.12 2.89 0.00 -1.26 -5.01 105.19 112.74 1jvr n GLY 18 Ca 0.33 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -2.98 -3.79 0.99 7.99 -1.26 -4.68 117.00 113.28 1jvr n LEU 19 Ca 0.00 0.01 -0.12 0.00 -0.01 0.00 0.00 56.01 55.89 1jvr n LEU 19 Cb 0.00 -0.74 -0.08 0.00 -0.11 0.00 0.00 43.42 42.48 1jvr n LEU 19 CO 0.00 -3.29 -0.02 -0.94 -1.51 0.00 0.00 177.39 171.63 1jvr s SER 20 N -1.36 -0.11 0.21 -1.43 1.04 -1.26 -4.21 113.70 106.59 1jvr s SER 20 Ca 0.45 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.68 1jvr s SER 20 Cb -0.03 0.31 0.27 0.00 0.10 0.00 0.00 66.02 66.67 1jvr s SER 20 CO 0.69 -0.51 1.76 0.74 0.98 0.00 0.00 173.24 176.90 1jvr h THR 21 N 3.66 0.82 -0.83 2.02 2.02 -1.94 0.92 112.91 119.57 1jvr h THR 21 Ca -0.31 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1jvr h THR 21 Cb 1.19 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1jvr h THR 21 CO 0.43 0.09 0.53 -0.74 0.37 0.00 0.00 175.52 176.20 1jvr h HIS 22 N 0.48 1.08 -0.50 3.16 -0.00 -1.96 1.67 115.15 119.07 1jvr h HIS 22 Ca 0.31 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1jvr h HIS 22 Cb 0.33 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1jvr h HIS 22 CO -0.14 0.70 0.30 0.45 -0.00 0.00 0.00 177.93 179.25 1jvr h HIS 23 N 1.14 0.66 -0.20 5.26 -0.00 -1.50 0.72 115.15 121.23 1jvr h HIS 23 Ca 0.30 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.53 1jvr h HIS 23 Cb -0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.11 1jvr h HIS 23 CO -0.01 0.46 -0.42 2.35 -0.00 0.00 0.00 177.93 180.31 1jvr h TRP 24 N 0.67 0.80 -0.66 2.45 -0.00 -0.22 -2.77 115.95 116.23 1jvr h TRP 24 Ca 0.18 -0.30 0.17 0.00 -0.00 0.00 0.00 58.89 58.95 1jvr h TRP 24 Cb -0.01 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 1jvr h TRP 24 CO -0.03 1.06 0.46 1.25 -0.00 0.00 0.00 178.44 181.18 1jvr h LEU 25 N 0.32 0.10 -0.71 0.65 5.85 0.29 1.60 115.31 123.41 1jvr h LEU 25 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1jvr h LEU 25 Cb 1.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1jvr h LEU 25 CO 0.09 0.05 0.00 -3.20 -0.34 0.00 0.00 178.44 175.04 1jvr n ASN 26 N -4.38 0.52 -0.06 1.25 4.05 0.21 -0.71 115.26 116.13 1jvr n ASN 26 Ca 0.13 0.65 -0.08 0.00 0.45 0.00 0.00 54.58 55.73 1jvr n ASN 26 Cb 0.66 -0.75 -0.08 0.00 1.23 0.00 0.00 39.78 40.83 1jvr n ASN 26 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1jvr n PHE 27 N -2.10 0.00 0.23 1.20 -0.00 0.50 -4.29 117.46 112.99 1jvr n PHE 27 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.58 1jvr n PHE 27 Cb 0.17 -0.56 0.46 0.00 -0.00 0.00 0.00 39.48 39.56 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 0.00 0.43 -2.13 5.85 0.03 -2.43 115.31 117.05 1jvr h LEU 28 Ca -0.31 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1jvr h LEU 28 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1jvr h LEU 28 CO -0.01 0.19 -0.21 1.56 -0.34 0.00 0.00 178.44 179.63 1jvr h GLN 29 N 0.00 -0.56 -0.77 1.25 4.20 -1.14 -1.23 115.11 116.86 1jvr h GLN 29 Ca -0.00 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.88 1jvr h GLN 29 Cb 0.75 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 1jvr h GLN 29 CO 0.02 -0.32 0.51 0.00 -0.67 0.00 0.00 178.83 178.37 1jvr h ALA 30 N -1.02 1.98 0.00 3.87 0.00 -1.74 0.81 119.26 123.16 1jvr h ALA 30 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1jvr h ALA 30 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jvr h ALA 30 CO 0.10 -0.17 -0.29 0.00 0.00 0.00 0.00 179.25 178.89 1jvr h ALA 31 N 1.63 1.09 0.00 0.00 0.00 -1.42 -2.09 119.26 118.47 1jvr h ALA 31 Ca 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jvr h ALA 31 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jvr h ALA 31 CO -0.14 0.36 -0.40 -0.92 0.00 0.00 0.00 179.25 178.15 1jvr h TYR 32 N 0.00 0.00 0.00 0.00 5.03 0.18 -3.21 116.97 118.97 1jvr h TYR 32 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jvr h TYR 32 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.01 1jvr h TYR 32 CO 0.00 0.00 -0.66 -2.13 -1.32 0.00 0.00 178.16 174.05 1jvr n ARG 33 N -2.50 0.12 0.00 1.82 0.00 0.06 -4.73 116.66 111.44 1jvr n ARG 33 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1jvr n ARG 33 Cb 0.48 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1jvr n ARG 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jvr n LEU 34 N -1.72 0.00 0.00 6.15 4.77 -0.90 -5.08 117.00 120.22 1jvr n LEU 34 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jvr n LEU 34 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 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 -0.23 3.23 0.00 -1.26 -5.11 117.38 114.01 1jvr n GLN 35 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.95 1jvr n GLN 35 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.28 1jvr n GLN 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1jvr n PRO 36 N -0.02 -0.76 0.00 2.61 -0.04 -1.26 -5.01 135.00 130.51 1jvr n PRO 36 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1jvr n PRO 36 Cb 0.00 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 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 2.52 -2.00 3.81 0.55 0.00 -1.26 -5.09 105.19 103.73 1jvr n GLY 37 Ca 0.02 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.48 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 2.61 -1.22 1.61 0.04 -1.26 -4.90 135.00 131.88 1jvr s PRO 38 Ca 0.00 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 1jvr s PRO 38 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1jvr s PRO 38 CO 0.00 -1.30 1.88 -1.54 0.04 0.00 0.00 177.00 176.08 1jvr s SER 39 N -3.83 5.54 0.00 6.66 1.04 -1.26 -2.55 113.70 119.30 1jvr s SER 39 Ca 0.59 -1.88 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1jvr s SER 39 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1jvr s SER 39 CO 0.55 -2.54 0.00 -0.67 0.98 0.00 0.00 173.24 171.56 1jvr n ASP 40 N 12.68 0.00 -0.05 7.02 2.03 -1.26 -4.98 116.55 131.99 1jvr n ASP 40 Ca 0.46 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.76 1jvr n ASP 40 Cb 0.46 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.00 -2.90 -0.67 3.72 -1.06 -3.19 117.46 113.36 1jvr n PHE 41 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 1jvr n PHE 41 Cb 0.00 -0.61 0.06 0.00 -0.94 0.00 0.00 39.48 37.98 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jvr n ASP 42 N -0.08 -2.12 -0.08 4.37 2.03 -1.26 -4.96 116.55 114.45 1jvr n ASP 42 Ca -0.01 -0.40 -0.11 0.00 0.52 0.00 0.00 54.79 54.80 1jvr n ASP 42 Cb 0.14 -3.45 -0.08 0.00 -0.72 0.00 0.00 41.12 37.00 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jvr n PHE 43 N -2.98 0.00 0.11 -0.67 3.01 -1.19 -4.13 117.46 111.60 1jvr n PHE 43 Ca -0.18 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.15 1jvr n PHE 43 Cb 0.61 -0.63 -0.08 0.00 -0.01 0.00 0.00 39.48 39.37 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 0.00 -0.28 0.00 -1.08 4.15 -1.93 0.19 115.11 116.16 1jvr h GLN 44 Ca -0.36 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1jvr h GLN 44 Cb 1.58 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1jvr h GLN 44 CO -0.05 0.07 0.00 0.00 -1.93 0.00 0.00 178.83 176.92 1jvr n GLN 45 N -5.05 0.13 -0.06 1.69 10.64 -1.26 -2.05 117.38 121.41 1jvr n GLN 45 Ca -0.09 0.20 -0.20 0.00 -1.83 0.00 0.00 57.00 55.08 1jvr n GLN 45 Cb 0.25 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.00 1jvr n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1jvr n LEU 46 N -1.35 2.78 0.31 2.61 0.00 -0.99 -4.07 117.00 116.29 1jvr n LEU 46 Ca 0.05 0.06 0.20 0.00 0.00 0.00 0.00 56.01 56.32 1jvr n LEU 46 Cb 0.12 -1.02 1.03 0.00 0.00 0.00 0.00 43.42 43.54 1jvr n LEU 46 CO 0.10 0.88 1.12 -0.09 0.00 0.00 0.00 177.39 179.40 1jvr h ARG 47 N 0.02 0.00 -0.17 1.96 2.43 -0.04 -1.34 114.38 117.23 1jvr h ARG 47 Ca -0.50 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 1jvr h ARG 47 Cb 1.96 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1jvr h ARG 47 CO 0.00 0.01 -0.61 0.07 -1.51 0.00 0.00 179.97 177.93 1jvr h ARG 48 N 0.00 0.59 -0.26 0.20 0.11 -1.65 -1.64 114.38 111.74 1jvr h ARG 48 Ca -0.00 -0.41 -0.10 0.00 0.10 0.00 0.00 59.98 59.57 1jvr h ARG 48 Cb 0.17 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1jvr h ARG 48 CO 0.00 1.02 -0.27 0.35 0.10 0.00 0.00 179.97 181.18 1jvr h PHE 49 N 0.44 0.57 0.08 4.08 3.57 -1.40 -2.01 116.94 122.26 1jvr h PHE 49 Ca -0.01 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1jvr h PHE 49 Cb 1.18 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1jvr h PHE 49 CO 0.05 0.73 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.76 1jvr h LEU 50 N 0.45 -0.09 -2.06 0.59 3.38 -1.43 -2.61 115.31 113.54 1jvr h LEU 50 Ca 0.06 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.67 1jvr h LEU 50 Cb 0.70 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1jvr h LEU 50 CO 0.05 0.45 0.36 0.50 0.09 0.00 0.00 178.44 179.89 1jvr h LYS 51 N -0.66 0.00 0.35 1.13 1.63 -1.25 0.14 116.57 117.91 1jvr h LYS 51 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1jvr h LYS 51 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1jvr h LYS 51 CO 0.02 0.00 -0.17 1.25 -3.45 0.00 0.00 179.45 177.10 1jvr h LEU 52 N 0.00 -0.40 -1.72 5.20 6.46 -1.15 -3.05 115.31 120.65 1jvr h LEU 52 Ca 0.16 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1jvr h LEU 52 Cb 0.88 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1jvr h LEU 52 CO -0.00 0.04 0.28 0.00 -0.62 0.00 0.00 178.44 178.14 1jvr h ALA 53 N -0.58 1.96 0.00 1.25 0.00 -0.76 0.51 119.26 121.63 1jvr h ALA 53 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jvr h ALA 53 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jvr h ALA 53 CO 0.08 -0.03 0.00 -0.11 0.00 0.00 0.00 179.25 179.19 1jvr n LEU 54 N -4.48 0.43 0.00 0.00 7.94 0.32 -0.43 117.00 120.80 1jvr n LEU 54 Ca 0.05 0.68 0.10 0.00 -1.11 0.00 0.00 56.01 55.73 1jvr n LEU 54 Cb 0.24 -0.70 0.52 0.00 0.53 0.00 0.00 43.42 44.02 1jvr n LEU 54 CO 0.35 -0.74 0.81 1.17 -1.11 0.00 0.00 177.39 177.86 1jvr n LYS 55 N -2.05 0.36 -3.32 1.96 4.81 0.18 -4.24 118.16 115.86 1jvr n LYS 55 Ca -0.00 0.08 -0.11 0.00 -0.87 0.00 0.00 58.31 57.41 1jvr n LYS 55 Cb 0.07 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.56 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1jvr s THR 56 N -2.44 -0.57 -1.11 3.15 -1.32 0.43 -5.05 115.64 108.73 1jvr s THR 56 Ca 0.22 -0.46 -0.17 0.00 -1.21 0.00 0.00 61.69 60.06 1jvr s THR 56 Cb 0.13 -0.81 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 1jvr s THR 56 CO 0.29 -0.35 2.11 -0.81 -2.21 0.00 0.00 174.62 173.65 1jvr n PRO 57 N 4.97 2.21 0.00 7.08 -0.04 -1.26 -3.97 135.00 143.99 1jvr n PRO 57 Ca 0.04 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1jvr n PRO 57 Cb 0.49 -3.04 0.00 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 5.40 0.00 0.01 0.52 0.13 -1.26 -4.48 119.36 119.67 1jvr n ILE 58 Ca 0.52 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 62.20 1jvr n ILE 58 Cb 0.37 0.20 -0.11 0.00 -0.84 0.00 0.00 39.64 39.27 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 -1.58 0.53 0.17 9.51 4.27 -1.25 -3.97 117.44 125.11 1jvr n TRP 59 Ca 0.00 0.17 -0.13 0.00 -3.89 0.00 0.00 57.50 53.65 1jvr n TRP 59 Cb 0.10 -0.88 -0.08 0.00 -1.36 0.00 0.00 31.31 29.09 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 -0.40 5.67 4.07 -1.84 1.48 115.31 123.89 1jvr h LEU 60 Ca -0.15 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.70 1jvr h LEU 60 Cb 1.42 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 43.18 1jvr h LEU 60 CO 0.02 -0.00 -0.53 0.78 -1.08 0.00 0.00 178.44 177.63 1jvr h ASN 61 N -0.83 -1.76 0.82 -0.43 4.21 -1.79 0.48 115.58 116.28 1jvr h ASN 61 Ca -0.05 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1jvr h ASN 61 Cb 0.53 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1jvr h ASN 61 CO 0.08 -0.37 0.00 -0.81 -1.29 0.00 0.00 177.43 175.03 1jvr n PRO 62 N -5.20 0.05 -2.93 0.81 -0.04 -1.23 -4.93 135.00 121.53 1jvr n PRO 62 Ca -0.03 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1jvr n PRO 62 Cb 0.32 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.66 -1.95 -3.57 0.52 0.13 0.50 -4.98 119.36 108.36 1jvr n ILE 63 Ca 0.05 0.40 -0.03 0.00 -1.10 0.00 0.00 62.75 62.08 1jvr n ILE 63 Cb 0.27 -2.71 -0.05 0.00 -0.84 0.00 0.00 39.64 36.30 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 -0.93 -0.87 0.00 9.51 1.01 -0.99 -5.00 116.67 119.40 1jvr s ASP 64 Ca 0.04 1.25 0.08 0.00 0.71 0.00 0.00 52.55 54.62 1jvr s ASP 64 Cb -0.00 1.97 0.33 0.00 1.01 0.00 0.00 42.92 46.23 1jvr s ASP 64 CO 0.08 -0.23 1.21 0.00 0.21 0.00 0.00 175.17 176.44 1jvr n TYR 65 N 5.43 0.00 0.03 4.23 4.19 -1.26 -1.83 117.16 127.94 1jvr n TYR 65 Ca -0.09 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.10 1jvr n TYR 65 Cb 0.49 -0.45 0.23 0.00 0.49 0.00 0.00 39.34 40.11 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 0.44 1.75 2.98 4.64 -1.98 -1.65 113.55 119.73 1jvr h SER 66 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1jvr h SER 66 Cb 0.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jvr h SER 66 CO 0.00 0.67 0.00 0.25 -0.87 0.00 0.00 176.83 176.88 1jvr h LEU 67 N 0.40 0.00 0.44 5.97 6.46 -1.76 -3.18 115.31 123.64 1jvr h LEU 67 Ca 0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1jvr h LEU 67 Cb 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1jvr h LEU 67 CO 0.04 0.00 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.58 1jvr h LEU 68 N 0.00 -0.51 -1.95 2.25 3.38 -1.39 -2.26 115.31 114.83 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 0.87 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1jvr h LEU 68 CO 0.00 -0.18 0.36 0.00 0.09 0.00 0.00 178.44 178.71 1jvr h ALA 69 N -1.36 1.44 -0.11 1.53 0.00 -1.57 0.58 119.26 119.77 1jvr h ALA 69 Ca -0.06 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1jvr h ALA 69 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jvr h ALA 69 CO 0.10 -0.39 -0.78 1.03 0.00 0.00 0.00 179.25 179.21 1jvr h SER 70 N 0.00 0.88 -0.78 0.00 0.87 -1.49 -3.17 113.55 109.86 1jvr h SER 70 Ca 0.02 -0.66 0.04 0.00 -1.23 0.00 0.00 61.79 59.96 1jvr h SER 70 Cb 0.74 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 1jvr h SER 70 CO -0.00 1.40 0.49 -0.07 -0.53 0.00 0.00 176.83 178.12 1jvr h LEU 71 N 0.43 0.80 -8.09 2.23 4.07 0.76 -3.41 115.31 112.10 1jvr h LEU 71 Ca -0.07 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.35 1jvr h LEU 71 Cb 1.42 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.93 1jvr h LEU 71 CO 0.16 0.54 1.66 -0.38 -1.08 0.00 0.00 178.44 179.35 1jvr n ILE 72 N -4.62 -0.00 -2.38 1.22 5.41 -1.07 -4.79 119.36 113.13 1jvr n ILE 72 Ca 0.09 -0.10 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 1jvr n ILE 72 Cb 0.11 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.21 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 8.33 3.85 -1.32 0.38 0.04 -1.26 -3.76 135.00 141.25 1jvr s PRO 73 Ca 1.28 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1jvr s PRO 73 Cb -1.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1jvr s PRO 73 CO 0.49 -1.21 0.02 1.17 0.04 0.00 0.00 177.00 177.52 1jvr n LYS 74 N 7.46 -0.93 -2.05 4.56 4.81 -1.26 -3.88 118.16 126.87 1jvr n LYS 74 Ca 0.15 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1jvr n LYS 74 Cb 0.47 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.47 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jvr n GLY 75 N -2.35 -5.17 3.93 3.14 0.00 -1.25 -5.00 105.19 98.50 1jvr n GLY 75 Ca -0.28 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1jvr n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jvr s TYR 76 N -1.07 2.39 0.00 1.61 5.04 -1.25 -5.09 117.35 118.97 1jvr s TYR 76 Ca 0.00 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1jvr s TYR 76 Cb 0.00 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.86 1jvr s TYR 76 CO 0.00 -1.83 0.00 -0.35 -1.34 0.00 0.00 175.55 172.03 1jvr n PRO 77 N -3.19 -0.37 -0.09 4.97 -0.04 -1.26 -4.73 135.00 130.28 1jvr n PRO 77 Ca 0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1jvr n PRO 77 Cb 0.60 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 3.76 -0.43 1.40 0.55 0.00 -1.26 -3.58 105.19 105.63 1jvr n GLY 78 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.00 3.53 -0.32 1.61 3.00 -1.26 -4.31 116.66 117.90 1jvr n ARG 79 Ca 0.00 -2.07 0.02 0.00 -0.01 0.00 0.00 57.85 55.79 1jvr n ARG 79 Cb 0.04 -1.99 0.16 0.00 0.00 0.00 0.00 32.46 30.68 1jvr n ARG 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1jvr h VAL 80 N 2.65 1.02 -0.18 1.55 2.07 -1.90 -0.13 116.25 121.32 1jvr h VAL 80 Ca 0.00 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 66.97 1jvr h VAL 80 Cb 1.45 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1jvr h VAL 80 CO 0.31 0.18 -0.74 0.58 0.02 0.00 0.00 177.57 177.92 1jvr h VAL 81 N 0.98 1.27 -0.24 2.57 2.07 -1.77 -2.91 116.25 118.22 1jvr h VAL 81 Ca 0.40 -1.93 0.07 0.00 0.82 0.00 0.00 66.70 66.06 1jvr h VAL 81 Cb 0.22 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1jvr h VAL 81 CO -0.19 0.62 0.21 -0.33 0.02 0.00 0.00 177.57 177.90 1jvr h GLU 82 N 0.57 0.00 0.00 1.57 4.39 -1.51 1.84 114.58 121.44 1jvr h GLU 82 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1jvr h GLU 82 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1jvr h GLU 82 CO 0.16 0.00 -0.21 -0.89 -1.16 0.00 0.00 179.01 176.90 1jvr n ILE 83 N -4.11 0.21 -0.10 3.13 5.41 -0.18 -3.35 119.36 120.37 1jvr n ILE 83 Ca 0.03 -0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 1jvr n ILE 83 Cb 0.36 -0.30 -0.12 0.00 -0.71 0.00 0.00 39.64 38.87 1jvr n ILE 83 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1jvr n ILE 84 N -1.79 1.24 0.28 1.39 5.41 0.31 -4.28 119.36 121.93 1jvr n ILE 84 Ca 0.06 -0.59 0.16 0.00 1.00 0.00 0.00 62.75 63.37 1jvr n ILE 84 Cb 0.38 -0.98 0.92 0.00 -0.71 0.00 0.00 39.64 39.25 1jvr n ILE 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1jvr h ASN 85 N 0.00 0.00 0.15 4.38 -1.24 0.23 0.14 115.58 119.24 1jvr h ASN 85 Ca -0.49 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.35 1jvr h ASN 85 Cb 1.90 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.94 1jvr h ASN 85 CO -0.03 0.00 -0.66 0.40 -1.29 0.00 0.00 177.43 175.84 1jvr h ILE 86 N 0.00 1.35 -0.50 2.57 2.04 -1.74 0.66 117.51 121.89 1jvr h ILE 86 Ca 0.02 -1.99 -0.06 0.00 1.00 0.00 0.00 64.86 63.83 1jvr h ILE 86 Cb 0.10 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1jvr h ILE 86 CO -0.00 0.61 0.09 -0.07 0.00 0.00 0.00 178.15 178.78 1jvr h LEU 87 N 0.35 0.79 -0.03 1.44 3.38 -0.92 1.51 115.31 121.83 1jvr h LEU 87 Ca -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1jvr h LEU 87 Cb 1.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jvr h LEU 87 CO 0.12 0.85 -0.02 0.58 0.09 0.00 0.00 178.44 180.05 1jvr h VAL 88 N 0.71 1.36 0.00 1.22 2.07 -1.33 -2.56 116.25 117.71 1jvr h VAL 88 Ca 0.15 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1jvr h VAL 88 Cb 0.39 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1jvr h VAL 88 CO 0.01 0.30 0.00 1.17 0.02 0.00 0.00 177.57 179.06 1jvr n LYS 89 N -4.81 0.66 0.32 1.57 4.81 0.22 -3.25 118.16 117.68 1jvr n LYS 89 Ca -0.08 0.02 0.17 0.00 -0.87 0.00 0.00 58.31 57.55 1jvr n LYS 89 Cb 0.26 -1.50 0.90 0.00 0.02 0.00 0.00 35.03 34.71 1jvr n LYS 89 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1jvr h ASN 90 N 0.00 0.00 -2.22 3.14 -1.07 0.26 -3.45 115.58 112.24 1jvr h ASN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1jvr h ASN 90 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 1jvr h ASN 90 CO 0.00 0.00 0.00 1.67 0.07 0.00 0.00 177.43 179.17 1jvr n GLN 91 N -2.88 0.00 0.00 4.14 -0.06 -1.20 -5.01 117.38 112.37 1jvr n GLN 91 Ca -0.02 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1jvr n GLN 91 Cb 0.28 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.35 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1jvr n VAL 92 N -0.88 0.00 -0.37 1.69 0.31 -1.26 -4.93 118.33 112.89 1jvr n VAL 92 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1jvr n VAL 92 Cb 0.37 -0.08 0.07 0.00 -0.91 0.00 0.00 33.84 33.29 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1jvr n SER 93 N -2.16 -0.55 -4.45 4.52 2.88 -1.26 -4.44 113.62 108.16 1jvr n SER 93 Ca 0.00 1.69 -0.29 0.00 -1.33 0.00 0.00 58.87 58.94 1jvr n SER 93 Cb 0.00 -0.42 0.17 0.00 -0.75 0.00 0.00 64.21 63.20 1jvr n SER 93 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jvr s PRO 94 N -6.01 0.55 0.04 -1.46 0.04 -1.26 -5.09 135.00 121.81 1jvr s PRO 94 Ca -0.14 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 1jvr s PRO 94 Cb 0.22 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 33.07 1jvr s PRO 94 CO 0.71 -2.55 1.18 -1.54 0.04 0.00 0.00 177.00 174.84 1jvr s SER 95 N -4.19 -0.10 -0.37 6.66 1.04 -1.26 -5.08 113.70 110.40 1jvr s SER 95 Ca 0.67 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 1jvr s SER 95 Cb -0.11 0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.47 1jvr s SER 95 CO 0.54 -0.49 0.98 0.00 0.98 0.00 0.00 173.24 175.25 1jvr s ALA 96 N -2.71 -3.92 -0.77 5.32 0.00 -1.26 -5.04 121.76 113.38 1jvr s ALA 96 Ca 0.13 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 1jvr s ALA 96 Cb 0.03 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.10 1jvr s ALA 96 CO -0.02 -2.45 2.61 -0.35 0.00 0.00 0.00 175.76 175.56 1jvr n PRO 97 N 3.15 2.31 -1.29 0.00 -0.04 -1.26 -4.88 135.00 133.00 1jvr n PRO 97 Ca 0.11 -1.40 0.15 0.00 -0.04 0.00 0.00 63.50 62.32 1jvr n PRO 97 Cb 0.62 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 1jvr n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jvr n ALA 98 N 3.46 -3.49 -1.47 0.55 0.00 -1.26 -4.34 120.51 113.96 1jvr n ALA 98 Ca 0.49 0.60 -0.40 0.00 0.00 0.00 0.00 53.44 54.13 1jvr n ALA 98 Cb 0.36 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 1jvr n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvr n ALA 99 N -3.18 0.28 0.04 0.00 0.00 -1.26 -4.76 120.51 111.63 1jvr n ALA 99 Ca -0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1jvr n ALA 99 Cb 0.65 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1jvr n ALA 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 100 N 11.73 -0.19 -6.89 0.00 0.13 -1.95 -3.47 132.00 131.36 1jvr h PRO 100 Ca -0.05 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.53 1jvr h PRO 100 Cb 1.28 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1jvr h PRO 100 CO 1.36 0.19 -1.05 1.33 -0.23 0.00 0.00 178.00 179.60 1jvr n VAL 101 N -4.89 -2.92 0.77 1.56 0.24 -1.26 -4.79 118.33 107.05 1jvr n VAL 101 Ca -0.06 -0.38 0.11 0.00 -2.04 0.00 0.00 64.34 61.96 1jvr n VAL 101 Cb 0.23 -2.51 0.47 0.00 -1.47 0.00 0.00 33.84 30.57 1jvr n VAL 101 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jvr n PRO 102 N -4.19 0.02 0.20 7.34 -0.04 -1.26 -1.94 135.00 135.13 1jvr n PRO 102 Ca -0.19 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1jvr n PRO 102 Cb 0.61 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1jvr n PRO 102 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jvr h THR 103 N 0.00 0.00 0.17 0.52 2.02 -2.04 -3.39 112.91 110.19 1jvr h THR 103 Ca 0.00 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1jvr h THR 103 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1jvr h THR 103 CO 0.00 0.00 -0.08 1.55 0.37 0.00 0.00 175.52 177.36 1jvr h PRO 104 N -1.12 -0.21 -4.96 6.66 0.13 -1.94 -3.47 132.00 127.09 1jvr h PRO 104 Ca -0.06 0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.73 1jvr h PRO 104 Cb 0.44 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 1jvr h PRO 104 CO 0.10 0.12 -0.51 0.44 -0.23 0.00 0.00 178.00 177.91 1jvr n ILE 105 N -4.91 -1.07 0.06 -3.56 -5.35 -0.82 -4.85 119.36 98.86 1jvr n ILE 105 Ca -0.06 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.31 1jvr n ILE 105 Cb 0.22 -2.06 -0.08 0.00 -1.74 0.00 0.00 39.64 35.98 1jvr n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jvr s PRO 107 N -3.59 -0.47 0.22 0.00 0.04 -1.26 -4.92 135.00 125.02 1jvr s PRO 107 Ca -0.13 -0.32 -0.18 0.00 0.04 0.00 0.00 61.00 60.41 1jvr s PRO 107 Cb 0.01 -1.71 0.22 0.00 0.04 0.00 0.00 34.50 33.06 1jvr s PRO 107 CO 0.50 -3.17 1.56 1.79 0.04 0.00 0.00 177.00 177.72 1jvr h THR 108 N -2.19 0.03 0.00 1.26 1.35 -2.02 -3.42 112.91 107.92 1jvr h THR 108 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1jvr h THR 108 Cb 1.25 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1jvr h THR 108 CO 0.33 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 176.01 1jvr n THR 109 N -5.47 0.00 -0.84 6.82 -1.04 -1.26 -4.80 114.28 107.69 1jvr n THR 109 Ca 0.09 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 1jvr n THR 109 Cb 0.39 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.02 1jvr n THR 109 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jvr n THR 110 N 0.00 0.15 -2.37 12.58 -2.24 -1.26 -4.85 114.28 116.29 1jvr n THR 110 Ca 0.00 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1jvr n THR 110 Cb 0.00 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1jvr s PRO 111 N -3.52 3.80 -0.33 -0.78 0.04 -1.26 -4.97 135.00 127.98 1jvr s PRO 111 Ca 0.57 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1jvr s PRO 111 Cb -0.22 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1jvr s PRO 111 CO 0.67 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.55 1jvr s PRO 112 N 4.45 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.29 1jvr s PRO 112 Ca 0.59 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1jvr s PRO 112 Cb -0.17 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 112 CO 0.27 -1.28 1.36 -1.25 0.04 0.00 0.00 177.00 176.14 1jvr s PRO 113 N 4.46 3.80 0.98 0.56 0.04 -1.26 -5.01 135.00 138.57 1jvr s PRO 113 Ca 0.59 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 113 Cb -0.16 -3.94 0.18 0.00 0.04 0.00 0.00 34.50 30.62 1jvr s PRO 113 CO 0.27 -1.27 1.17 -1.25 0.04 0.00 0.00 177.00 175.96 1jvr s PRO 114 N 4.44 0.52 -0.33 0.56 0.04 -1.26 -4.97 135.00 134.01 1jvr s PRO 114 Ca 0.59 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 1jvr s PRO 114 Cb -0.16 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1jvr s PRO 114 CO 0.26 -2.57 1.36 -1.25 0.04 0.00 0.00 177.00 174.84 1jvr s PRO 115 N -5.45 3.81 -0.33 0.56 0.04 -1.26 -4.97 135.00 127.40 1jvr s PRO 115 Ca 0.68 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1jvr s PRO 115 Cb -0.11 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1jvr s PRO 115 CO 0.54 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.43 1jvr s PRO 116 N 4.43 3.80 0.35 0.56 0.04 -1.26 -5.00 135.00 137.92 1jvr s PRO 116 Ca 0.59 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 116 Cb -0.16 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1jvr s PRO 116 CO 0.26 -1.28 1.07 -1.25 0.04 0.00 0.00 177.00 175.84 1jvr s PRO 117 N 4.46 4.36 0.51 0.56 0.04 -1.26 -4.97 135.00 138.70 1jvr s PRO 117 Ca 0.59 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 1jvr s PRO 117 Cb -0.16 -2.80 -0.14 0.00 0.04 0.00 0.00 34.50 31.43 1jvr s PRO 117 CO 0.27 0.00 -0.08 0.45 0.04 0.00 0.00 177.00 177.68 1jvr n SER 118 N 0.44 -3.47 -4.75 6.66 2.88 -1.26 -4.86 113.62 109.26 1jvr n SER 118 Ca 0.03 0.66 -0.40 0.00 -1.33 0.00 0.00 58.87 57.82 1jvr n SER 118 Cb 0.48 -0.88 -0.04 0.00 -0.75 0.00 0.00 64.21 63.02 1jvr n SER 118 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jvr s PRO 119 N -1.10 4.64 -1.33 -1.46 0.04 -1.26 -4.95 135.00 129.58 1jvr s PRO 119 Ca 0.58 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 1jvr s PRO 119 Cb -0.49 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 30.96 1jvr s PRO 119 CO 0.65 0.20 1.94 -0.85 0.04 0.00 0.00 177.00 178.98 1jvr n GLU 120 N 1.51 3.37 -3.45 4.56 -0.00 -1.26 -4.81 120.64 120.56 1jvr n GLU 120 Ca -0.00 -3.28 -0.04 0.00 -0.00 0.00 0.00 57.16 53.84 1jvr n GLU 120 Cb 0.45 -3.06 -0.06 0.00 -0.00 0.00 0.00 31.44 28.78 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jvr s ALA 121 N 1.40 -1.59 -1.08 -1.84 0.00 -1.26 -4.94 121.76 112.44 1jvr s ALA 121 Ca 0.42 1.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.94 1jvr s ALA 121 Cb 0.10 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 1jvr s ALA 121 CO -0.02 -1.06 0.93 1.58 0.00 0.00 0.00 175.76 177.19 1jvr n HIS 122 N 5.41 -2.40 -3.44 0.00 -0.00 -1.26 -4.97 115.22 108.55 1jvr n HIS 122 Ca -0.06 0.86 -0.26 0.00 0.46 0.00 0.00 57.72 58.72 1jvr n HIS 122 Cb 0.50 -4.29 -0.09 0.00 -0.12 0.00 0.00 29.99 25.99 1jvr n HIS 122 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1jvr n VAL 123 N -3.43 1.07 -2.37 3.57 0.31 -1.26 -5.07 118.33 111.14 1jvr n VAL 123 Ca -0.11 -4.66 -0.43 0.00 -0.01 0.00 0.00 64.34 59.13 1jvr n VAL 123 Cb 0.63 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jvr s PRO 124 N -1.70 3.80 -0.33 5.55 0.04 -1.26 -4.97 135.00 136.13 1jvr s PRO 124 Ca 0.35 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1jvr s PRO 124 Cb 0.11 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1jvr s PRO 124 CO -0.08 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 175.80 1jvr s PRO 125 N 4.44 3.80 -0.07 0.56 0.04 -1.26 -4.91 135.00 137.60 1jvr s PRO 125 Ca 0.59 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1jvr s PRO 125 Cb -0.16 -3.93 -0.17 0.00 0.04 0.00 0.00 34.50 30.27 1jvr s PRO 125 CO 0.26 -1.27 0.80 -1.00 0.04 0.00 0.00 177.00 175.84 1jvr h PRO 126 N 9.82 -0.11 0.00 0.56 0.13 -2.02 -3.47 132.00 136.91 1jvr h PRO 126 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jvr h PRO 126 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jvr h PRO 126 CO 1.05 0.42 0.00 0.66 -0.23 0.00 0.00 178.00 179.89 1jvr n TYR 127 N -4.82 -3.12 -3.68 1.56 4.01 -1.26 -5.10 117.16 104.75 1jvr n TYR 127 Ca -0.08 0.77 -0.17 0.00 -0.16 0.00 0.00 57.90 58.26 1jvr n TYR 127 Cb 0.29 1.54 -0.16 0.00 -0.31 0.00 0.00 39.34 40.70 1jvr n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jvr s VAL 128 N -2.00 -0.21 -0.06 -0.72 1.01 -1.26 -5.04 120.40 112.12 1jvr s VAL 128 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1jvr s VAL 128 Cb 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 36.38 35.93 1jvr s VAL 128 CO 0.00 0.15 0.98 -0.08 0.00 0.00 0.00 175.10 176.15 1jvr h GLU 129 N 8.25 -0.09 -6.56 2.72 4.57 -1.99 -3.44 114.58 118.04 1jvr h GLU 129 Ca -0.16 0.01 -0.53 0.00 -1.18 0.00 0.00 59.36 57.50 1jvr h GLU 129 Cb 1.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1jvr h GLU 129 CO 0.18 0.47 0.51 -1.25 -1.18 0.00 0.00 179.01 177.74 1jvr s PRO 130 N -3.46 4.51 0.10 0.92 0.04 -1.26 -4.95 135.00 130.90 1jvr s PRO 130 Ca -0.15 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1jvr s PRO 130 Cb 0.00 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1jvr s PRO 130 CO 0.58 -0.10 1.58 1.79 0.04 0.00 0.00 177.00 180.89 1jvr h THR 131 N 4.15 1.23 -0.98 1.26 1.35 -2.06 -3.17 112.91 114.71 1jvr h THR 131 Ca -0.43 -0.81 0.10 0.00 -0.55 0.00 0.00 66.41 64.71 1jvr h THR 131 Cb 1.21 1.18 -0.12 0.00 -1.73 0.00 0.00 68.15 68.69 1jvr h THR 131 CO 0.77 0.27 -0.55 0.35 -0.25 0.00 0.00 175.52 176.10 1jvr n THR 132 N -4.62 -0.65 0.00 6.82 -2.24 -1.26 -4.64 114.28 107.69 1jvr n THR 132 Ca -0.02 2.36 0.00 0.00 -2.27 0.00 0.00 64.05 64.12 1jvr n THR 132 Cb 0.22 -2.94 0.00 0.00 -2.10 0.00 0.00 70.33 65.50 1jvr n THR 132 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jvr n THR 133 N -5.25 0.00 -0.09 4.28 -1.04 -1.20 -2.13 114.28 108.84 1jvr n THR 133 Ca 0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.87 1jvr n THR 133 Cb 0.27 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1jvr n THR 133 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1jvr n GLN 134 N 0.00 0.46 -4.24 -2.82 7.27 -1.26 -4.97 117.38 111.82 1jvr n GLN 134 Ca 0.00 0.19 -0.37 0.00 0.07 0.00 0.00 57.00 56.90 1jvr n GLN 134 Cb 0.00 -1.28 -0.06 0.00 2.41 0.00 0.00 30.24 31.31 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13