#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 0.16 -2.03 -0.41 0.00 -1.26 -4.38 117.12 109.21 1jvr n MET 1 Ca 0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 57.70 57.76 1jvr n MET 1 Cb 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 33.22 32.08 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 2.13 -5.14 3.24 -5.12 0.00 -1.26 -4.92 105.19 94.13 1jvr n GLY 2 Ca 0.12 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 1.39 -0.15 -2.68 1.61 6.02 -1.26 -4.95 117.38 117.37 1jvr n GLN 3 Ca -0.00 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 1jvr n GLN 3 Cb 0.00 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.78 1jvr n GLN 3 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1jvr n ILE 4 N -3.08 1.27 -4.04 5.09 -0.00 -1.26 -5.09 119.36 112.26 1jvr n ILE 4 Ca 0.03 -3.73 -0.26 0.00 -0.00 0.00 0.00 62.75 58.80 1jvr n ILE 4 Cb 0.54 0.06 -0.04 0.00 -0.00 0.00 0.00 39.64 40.20 1jvr n ILE 4 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1jvr s HIS 5 N -3.16 2.09 0.00 4.28 3.76 -1.26 -5.10 115.29 115.90 1jvr s HIS 5 Ca 0.34 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1jvr s HIS 5 Cb 0.43 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1jvr s HIS 5 CO -0.03 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 1jvr n GLY 6 N -1.51 0.11 0.33 -2.22 0.00 -1.26 -5.12 105.19 95.52 1jvr n GLY 6 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.61 -0.06 -2.71 0.99 -0.00 -1.26 -5.03 117.00 108.32 1jvr n LEU 7 Ca 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 56.01 55.99 1jvr n LEU 7 Cb 0.00 0.17 0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1jvr n LEU 7 CO 0.00 -0.07 0.45 -1.54 -0.00 0.00 0.00 177.39 176.23 1jvr n SER 8 N -1.78 -2.03 -3.43 1.96 3.41 -1.26 -5.04 113.62 105.45 1jvr n SER 8 Ca 0.00 -2.89 -0.35 0.00 -0.26 0.00 0.00 58.87 55.37 1jvr n SER 8 Cb 0.00 1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 65.47 1jvr n SER 8 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jvr n PRO 9 N 0.81 2.49 0.09 4.33 -0.04 -1.26 -2.60 135.00 138.81 1jvr n PRO 9 Ca 0.03 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1jvr n PRO 9 Cb 0.70 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1jvr n PRO 9 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 10 N 4.68 0.00 0.03 0.52 -1.04 -1.26 -4.92 114.28 112.29 1jvr n THR 10 Ca 0.55 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.39 1jvr n THR 10 Cb 0.27 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.71 1jvr n THR 10 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1jvr h PRO 11 N 0.00 0.65 -0.79 -2.82 0.13 -1.99 -3.43 132.00 123.75 1jvr h PRO 11 Ca 0.00 -0.63 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 1jvr h PRO 11 Cb 0.00 0.16 -0.18 0.00 0.13 0.00 0.00 31.00 31.11 1jvr h PRO 11 CO 0.00 1.24 -0.36 -1.50 -0.23 0.00 0.00 178.00 177.15 1jvr s ILE 12 N -3.46 -0.79 -0.59 -3.56 2.07 -1.07 -5.11 121.20 108.69 1jvr s ILE 12 Ca -0.09 -0.05 -0.27 0.00 -1.41 0.00 0.00 60.65 58.83 1jvr s ILE 12 Cb 0.08 0.00 0.01 0.00 0.13 0.00 0.00 42.46 42.68 1jvr s ILE 12 CO 0.90 0.00 1.51 -2.16 -1.91 0.00 0.00 174.94 173.28 1jvr s PRO 13 N 1.82 3.14 0.27 3.50 0.04 -1.10 -4.57 135.00 138.09 1jvr s PRO 13 Ca 0.16 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1jvr s PRO 13 Cb -0.02 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1jvr s PRO 13 CO -0.09 -2.14 0.00 1.63 0.04 0.00 0.00 177.00 176.44 1jvr n LYS 14 N 8.88 -1.96 -3.99 4.56 5.02 -1.26 -5.01 118.16 124.39 1jvr n LYS 14 Ca 0.13 1.38 -0.09 0.00 -2.02 0.00 0.00 58.31 57.71 1jvr n LYS 14 Cb 0.50 -2.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.06 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jvr s ALA 15 N -2.30 0.21 -1.20 7.82 0.00 -1.26 -5.07 121.76 119.96 1jvr s ALA 15 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1jvr s ALA 15 Cb 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1jvr s ALA 15 CO 0.00 -0.52 1.81 -1.25 0.00 0.00 0.00 175.76 175.80 1jvr s PRO 16 N -3.94 3.22 0.92 0.00 0.04 -1.26 -4.96 135.00 129.02 1jvr s PRO 16 Ca 0.13 -1.45 -0.14 0.00 0.04 0.00 0.00 61.00 59.58 1jvr s PRO 16 Cb 0.06 -5.36 -0.01 0.00 0.04 0.00 0.00 34.50 29.22 1jvr s PRO 16 CO -0.05 -3.06 0.18 -2.13 0.04 0.00 0.00 177.00 171.97 1jvr n ARG 17 N 8.43 -0.15 0.35 4.56 0.63 -1.26 -4.90 116.66 124.31 1jvr n ARG 17 Ca 0.45 -0.01 -0.17 0.00 -0.92 0.00 0.00 57.85 57.20 1jvr n ARG 17 Cb 0.47 -1.67 -0.09 0.00 0.45 0.00 0.00 32.46 31.62 1jvr n ARG 17 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1jvr h GLY 18 N -1.26 -1.23 -6.68 5.14 0.00 -1.93 -3.38 103.07 93.72 1jvr h GLY 18 Ca -0.44 0.53 -0.61 0.00 0.00 0.00 0.00 47.33 46.81 1jvr h GLY 18 CO 0.33 -0.40 0.44 0.48 0.00 0.00 0.00 176.54 177.39 1jvr s LEU 19 N -9.41 4.11 0.00 3.11 2.34 -1.26 -4.83 118.68 112.73 1jvr s LEU 19 Ca -0.17 0.29 0.00 0.00 0.06 0.00 0.00 54.13 54.31 1jvr s LEU 19 Cb 0.03 -3.08 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 1jvr s LEU 19 CO 0.53 -0.83 0.03 -1.20 -1.06 0.00 0.00 176.35 173.82 1jvr n SER 20 N 6.64 0.19 -0.29 1.48 7.64 -1.26 -4.92 113.62 123.10 1jvr n SER 20 Ca 0.04 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 58.85 1jvr n SER 20 Cb 0.48 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.83 1jvr n SER 20 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1jvr h THR 21 N 0.07 1.23 -0.57 0.44 2.02 -1.97 -1.37 112.91 112.76 1jvr h THR 21 Ca -0.01 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1jvr h THR 21 Cb 0.04 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 1jvr h THR 21 CO 0.01 0.25 0.31 0.45 0.37 0.00 0.00 175.52 176.91 1jvr h HIS 22 N 1.17 0.78 -0.84 3.16 3.86 -1.96 1.70 115.15 123.02 1jvr h HIS 22 Ca 0.30 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1jvr h HIS 22 Cb -0.05 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.13 1jvr h HIS 22 CO 0.00 0.57 0.53 1.25 0.86 0.00 0.00 177.93 181.15 1jvr h HIS 23 N 0.77 1.09 -0.10 2.45 6.17 -1.75 0.01 115.15 123.78 1jvr h HIS 23 Ca 0.20 0.01 -0.16 0.00 0.71 0.00 0.00 60.37 61.13 1jvr h HIS 23 Cb 0.05 -0.36 0.01 0.00 2.52 0.00 0.00 27.41 29.62 1jvr h HIS 23 CO -0.01 0.71 -0.55 2.35 0.71 0.00 0.00 177.93 181.14 1jvr h TRP 24 N 1.15 0.75 -0.52 5.26 -0.00 -0.65 -2.87 115.95 119.07 1jvr h TRP 24 Ca 0.31 -0.34 0.15 0.00 -0.00 0.00 0.00 58.89 59.01 1jvr h TRP 24 Cb -0.09 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 28.94 1jvr h TRP 24 CO -0.01 1.12 0.43 1.25 -0.00 0.00 0.00 178.44 181.24 1jvr h LEU 25 N 0.17 0.00 -1.19 0.65 5.85 0.31 1.66 115.31 122.76 1jvr h LEU 25 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1jvr h LEU 25 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jvr h LEU 25 CO 0.11 0.00 -0.10 -1.13 -0.34 0.00 0.00 178.44 176.99 1jvr h ASN 26 N 0.00 0.00 0.01 1.25 -1.24 -0.78 -1.11 115.58 113.72 1jvr h ASN 26 Ca 0.25 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.88 1jvr h ASN 26 Cb 1.11 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.09 1jvr h ASN 26 CO -0.00 0.10 -2.42 0.33 -1.29 0.00 0.00 177.43 174.15 1jvr n PHE 27 N -3.22 0.04 0.21 0.67 -0.00 0.50 -4.05 117.46 111.60 1jvr n PHE 27 Ca 0.01 0.01 0.07 0.00 -0.00 0.00 0.00 57.45 57.54 1jvr n PHE 27 Cb 0.38 -1.01 0.47 0.00 -0.00 0.00 0.00 39.48 39.32 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 0.27 -2.13 5.85 0.59 -2.12 115.31 117.78 1jvr h LEU 28 Ca -0.56 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1jvr h LEU 28 Cb 2.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1jvr h LEU 28 CO -0.03 0.29 -0.13 1.56 -0.34 0.00 0.00 178.44 179.79 1jvr h GLN 29 N 0.00 -0.35 -0.97 1.25 4.20 -1.38 -0.35 115.11 117.51 1jvr h GLN 29 Ca -0.00 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.80 1jvr h GLN 29 Cb 0.64 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1jvr h GLN 29 CO 0.04 -0.02 0.63 0.00 -0.67 0.00 0.00 178.83 178.80 1jvr h ALA 30 N -0.16 1.45 0.00 3.87 0.00 -1.68 0.37 119.26 123.12 1jvr h ALA 30 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1jvr h ALA 30 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jvr h ALA 30 CO 0.06 0.40 -0.18 0.00 0.00 0.00 0.00 179.25 179.53 1jvr h ALA 31 N 1.48 1.17 0.00 0.00 0.00 -1.30 -1.31 119.26 119.30 1jvr h ALA 31 Ca 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jvr h ALA 31 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jvr h ALA 31 CO -0.17 0.23 -0.32 0.66 0.00 0.00 0.00 179.25 179.65 1jvr n TYR 32 N -3.55 0.48 1.00 0.00 4.01 0.11 -3.01 117.16 116.19 1jvr n TYR 32 Ca -0.01 0.14 0.11 0.00 -0.16 0.00 0.00 57.90 57.98 1jvr n TYR 32 Cb 0.33 -0.64 0.14 0.00 -0.31 0.00 0.00 39.34 38.85 1jvr n TYR 32 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1jvr n ARG 33 N -1.95 0.00 -0.05 -0.72 0.00 -0.19 -3.97 116.66 109.80 1jvr n ARG 33 Ca 0.05 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.86 1jvr n ARG 33 Cb 0.40 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.35 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 -1.49 1.09 -3.48 6.15 4.77 -1.03 -4.92 117.00 118.08 1jvr n LEU 34 Ca 0.05 0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 1jvr n LEU 34 Cb 0.33 -0.69 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 1jvr n LEU 34 CO 0.37 -0.45 -0.28 -1.10 -1.33 0.00 0.00 177.39 174.61 1jvr s GLN 35 N -1.86 0.31 -0.77 3.23 1.11 -1.16 -5.09 119.66 115.43 1jvr s GLN 35 Ca -0.11 -0.59 -0.26 0.00 0.01 0.00 0.00 55.36 54.41 1jvr s GLN 35 Cb 0.02 -1.03 0.00 0.00 -1.01 0.00 0.00 33.01 30.99 1jvr s GLN 35 CO 0.17 -1.06 1.60 -1.25 0.01 0.00 0.00 175.29 174.76 1jvr s PRO 36 N 1.96 2.97 0.00 2.91 0.04 -1.25 -4.75 135.00 136.87 1jvr s PRO 36 Ca 0.11 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1jvr s PRO 36 Cb -0.17 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1jvr s PRO 36 CO -0.28 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.63 1jvr n GLY 37 N 5.97 -0.76 3.64 0.56 0.00 -1.26 -5.13 105.19 108.21 1jvr n GLY 37 Ca 0.19 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.65 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 4.06 -0.37 1.61 0.04 -1.26 -4.82 135.00 134.25 1jvr s PRO 38 Ca 0.00 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.59 1jvr s PRO 38 Cb 0.00 -3.84 0.27 0.00 0.04 0.00 0.00 34.50 30.97 1jvr s PRO 38 CO 0.00 -0.94 1.25 0.43 0.04 0.00 0.00 177.00 177.78 1jvr n SER 39 N 7.20 -1.65 -0.45 6.66 7.64 -1.26 -5.15 113.62 126.62 1jvr n SER 39 Ca 0.15 -2.22 0.03 0.00 1.01 0.00 0.00 58.87 57.84 1jvr n SER 39 Cb 0.46 1.05 -0.01 0.00 -1.01 0.00 0.00 64.21 64.70 1jvr n SER 39 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jvr n ASP 40 N -0.51 -2.67 -1.37 6.43 5.68 -1.26 -4.73 116.55 118.12 1jvr n ASP 40 Ca -0.11 0.21 -0.17 0.00 -0.50 0.00 0.00 54.79 54.22 1jvr n ASP 40 Cb 0.77 -0.71 -0.07 0.00 -1.14 0.00 0.00 41.12 39.97 1jvr n ASP 40 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1jvr n PHE 41 N -1.19 -0.03 0.00 2.11 7.35 -1.26 -4.56 117.46 119.88 1jvr n PHE 41 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jvr n PHE 41 Cb 0.09 -3.22 0.00 0.00 0.35 0.00 0.00 39.48 36.71 1jvr n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jvr n ASP 42 N -1.25 0.00 0.08 -2.13 4.64 -1.26 -4.83 116.55 111.80 1jvr n ASP 42 Ca -0.17 0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.37 1jvr n ASP 42 Cb 0.64 0.02 0.45 0.00 -1.04 0.00 0.00 41.12 41.19 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1jvr n PHE 43 N -2.22 0.74 0.16 -0.67 3.01 -1.26 -3.71 117.46 113.50 1jvr n PHE 43 Ca 0.00 0.22 -0.13 0.00 1.01 0.00 0.00 57.45 58.55 1jvr n PHE 43 Cb 0.00 -0.85 -0.08 0.00 -0.01 0.00 0.00 39.48 38.54 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 -0.41 0.00 -1.08 5.75 -1.92 0.22 115.11 117.68 1jvr h GLN 44 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1jvr h GLN 44 Cb 0.68 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1jvr h GLN 44 CO 0.00 -0.08 0.00 -0.56 -2.65 0.00 0.00 178.83 175.54 1jvr h GLN 45 N -0.83 0.00 0.00 1.69 3.07 -1.90 -1.48 115.11 115.67 1jvr h GLN 45 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 1jvr h GLN 45 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1jvr h GLN 45 CO 0.07 0.00 -0.53 -0.07 0.09 0.00 0.00 178.83 178.39 1jvr h LEU 46 N 0.00 0.00 -1.93 0.06 3.38 -1.57 -3.32 115.31 111.93 1jvr h LEU 46 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jvr h LEU 46 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1jvr h LEU 46 CO 0.00 0.93 0.28 -0.09 0.09 0.00 0.00 178.44 179.65 1jvr h ARG 47 N -1.00 0.00 0.00 1.13 2.43 -0.04 0.96 114.38 117.86 1jvr h ARG 47 Ca -0.09 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1jvr h ARG 47 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1jvr h ARG 47 CO -0.06 0.00 -0.48 -0.09 -1.51 0.00 0.00 179.97 177.83 1jvr h ARG 48 N 0.00 0.00 0.04 0.20 2.43 -1.39 -0.79 114.38 114.87 1jvr h ARG 48 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1jvr h ARG 48 Cb 0.56 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1jvr h ARG 48 CO 0.00 0.48 -2.18 0.34 -1.51 0.00 0.00 179.97 177.10 1jvr n PHE 49 N -3.38 0.60 0.17 2.20 7.35 0.31 -3.58 117.46 121.14 1jvr n PHE 49 Ca 0.01 0.15 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 1jvr n PHE 49 Cb 0.64 -1.09 -0.05 0.00 0.35 0.00 0.00 39.48 39.33 1jvr n PHE 49 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jvr h LEU 50 N 0.03 -0.43 -2.10 -2.13 3.38 -0.99 -1.89 115.31 111.17 1jvr h LEU 50 Ca -0.48 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.51 1jvr h LEU 50 Cb 2.02 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 1jvr h LEU 50 CO 0.02 0.01 0.32 0.07 0.09 0.00 0.00 178.44 178.95 1jvr h LYS 51 N -1.08 0.00 0.28 1.13 2.10 -1.36 -0.28 116.57 117.36 1jvr h LYS 51 Ca -0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1jvr h LYS 51 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1jvr h LYS 51 CO 0.09 0.00 -0.13 1.25 -2.00 0.00 0.00 179.45 178.65 1jvr h LEU 52 N 0.00 -0.32 -1.76 7.07 6.46 -1.59 -3.05 115.31 122.12 1jvr h LEU 52 Ca 0.13 -0.21 0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1jvr h LEU 52 Cb 0.77 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1jvr h LEU 52 CO -0.00 0.14 0.40 0.00 -0.62 0.00 0.00 178.44 178.35 1jvr h ALA 53 N -0.44 2.20 0.00 1.25 0.00 -0.27 0.88 119.26 122.87 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 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jvr h ALA 53 CO 0.06 -0.35 0.00 -0.11 0.00 0.00 0.00 179.25 178.85 1jvr n LEU 54 N -4.44 0.43 0.00 0.00 7.94 -0.29 -0.38 117.00 120.25 1jvr n LEU 54 Ca 0.10 0.67 0.11 0.00 -1.11 0.00 0.00 56.01 55.78 1jvr n LEU 54 Cb 0.47 -0.69 0.57 0.00 0.53 0.00 0.00 43.42 44.30 1jvr n LEU 54 CO 0.35 -0.73 0.84 1.17 -1.11 0.00 0.00 177.39 177.90 1jvr n LYS 55 N -2.05 0.41 -3.33 1.96 4.81 0.30 -4.27 118.16 116.00 1jvr n LYS 55 Ca -0.00 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.38 1jvr n LYS 55 Cb 0.08 -1.50 -0.07 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 -2.41 -0.54 -1.11 3.15 -1.32 0.48 -5.05 115.64 108.84 1jvr s THR 56 Ca 0.24 -0.49 -0.17 0.00 -1.21 0.00 0.00 61.69 60.06 1jvr s THR 56 Cb 0.14 -0.83 -0.07 0.00 -1.51 0.00 0.00 72.50 70.24 1jvr s THR 56 CO 0.30 -0.37 2.12 -0.81 -2.21 0.00 0.00 174.62 173.65 1jvr n PRO 57 N 4.97 2.22 -0.00 7.08 -0.04 -1.26 -3.98 135.00 143.99 1jvr n PRO 57 Ca 0.04 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1jvr n PRO 57 Cb 0.48 -3.02 -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 5.36 0.01 0.01 0.52 0.13 -1.26 -4.45 119.36 119.68 1jvr n ILE 58 Ca 0.52 -0.02 0.02 0.00 -1.10 0.00 0.00 62.75 62.17 1jvr n ILE 58 Cb 0.37 0.05 -0.11 0.00 -0.84 0.00 0.00 39.64 39.11 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 -1.67 0.57 0.17 9.51 4.27 -1.26 -3.97 117.44 125.07 1jvr n TRP 59 Ca -0.00 0.18 -0.13 0.00 -3.89 0.00 0.00 57.50 53.66 1jvr n TRP 59 Cb 0.17 -0.92 -0.08 0.00 -1.36 0.00 0.00 31.31 29.12 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 -0.49 5.67 4.07 -1.84 1.42 115.31 123.75 1jvr h LEU 60 Ca -0.17 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.68 1jvr h LEU 60 Cb 1.49 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 43.25 1jvr h LEU 60 CO 0.03 0.01 -0.53 0.78 -1.08 0.00 0.00 178.44 177.65 1jvr h ASN 61 N -0.85 -1.79 0.92 -0.43 2.35 -1.78 0.56 115.58 114.55 1jvr h ASN 61 Ca -0.05 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1jvr h ASN 61 Cb 0.53 0.75 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jvr h ASN 61 CO 0.08 -0.34 0.00 -0.81 -1.65 0.00 0.00 177.43 174.70 1jvr n PRO 62 N -5.16 0.11 -2.95 0.81 -0.04 -1.23 -4.96 135.00 121.57 1jvr n PRO 62 Ca -0.02 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.64 1jvr n PRO 62 Cb 0.30 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.86 -1.87 -3.56 0.52 0.13 0.48 -4.99 119.36 108.22 1jvr n ILE 63 Ca 0.05 0.44 -0.02 0.00 -1.10 0.00 0.00 62.75 62.12 1jvr n ILE 63 Cb 0.29 -2.74 -0.05 0.00 -0.84 0.00 0.00 39.64 36.31 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 -0.92 -1.00 0.00 9.51 1.01 -1.03 -5.00 116.67 119.24 1jvr s ASP 64 Ca 0.01 1.32 0.07 0.00 0.71 0.00 0.00 52.55 54.66 1jvr s ASP 64 Cb -0.00 2.09 0.32 0.00 1.01 0.00 0.00 42.92 46.34 1jvr s ASP 64 CO 0.03 -0.23 1.19 0.00 0.21 0.00 0.00 175.17 176.36 1jvr n TYR 65 N 5.43 0.00 0.19 4.23 9.36 -1.26 -1.61 117.16 133.50 1jvr n TYR 65 Ca -0.09 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.17 1jvr n TYR 65 Cb 0.49 -0.44 0.40 0.00 -0.63 0.00 0.00 39.34 39.16 1jvr n TYR 65 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jvr h SER 66 N 0.00 0.00 1.37 2.98 4.64 -1.98 -1.73 113.55 118.83 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 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1jvr h SER 66 CO 0.00 0.34 -0.52 0.25 -0.87 0.00 0.00 176.83 176.03 1jvr h LEU 67 N 0.00 0.00 0.39 5.97 6.46 -1.70 -3.24 115.31 123.19 1jvr h LEU 67 Ca -0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1jvr h LEU 67 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1jvr h LEU 67 CO 0.04 0.01 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.62 1jvr h LEU 68 N 0.00 -0.44 -2.04 2.25 3.38 -1.40 -2.76 115.31 114.30 1jvr h LEU 68 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jvr h LEU 68 Cb 0.95 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jvr h LEU 68 CO 0.00 -0.11 0.26 0.00 0.09 0.00 0.00 178.44 178.68 1jvr h ALA 69 N -1.35 1.26 -0.17 1.53 0.00 -1.59 0.55 119.26 119.48 1jvr h ALA 69 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1jvr h ALA 69 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jvr h ALA 69 CO 0.09 -0.26 -0.62 1.03 0.00 0.00 0.00 179.25 179.49 1jvr h SER 70 N 0.00 0.68 -0.70 0.00 0.87 -1.54 -3.08 113.55 109.77 1jvr h SER 70 Ca 0.00 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1jvr h SER 70 Cb 0.53 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1jvr h SER 70 CO 0.00 1.13 0.44 -0.07 -0.53 0.00 0.00 176.83 177.81 1jvr h LEU 71 N 0.44 0.73 -9.09 2.23 4.07 0.39 -3.41 115.31 110.67 1jvr h LEU 71 Ca -0.01 -0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.35 1jvr h LEU 71 Cb 1.20 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.78 1jvr h LEU 71 CO 0.12 0.51 1.29 -0.38 -1.08 0.00 0.00 178.44 178.90 1jvr n ILE 72 N -4.66 0.49 -0.70 1.22 5.41 -1.16 -4.79 119.36 115.17 1jvr n ILE 72 Ca 0.07 -0.24 -0.08 0.00 1.00 0.00 0.00 62.75 63.51 1jvr n ILE 72 Cb 0.08 -2.12 -0.11 0.00 -0.71 0.00 0.00 39.64 36.78 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 7.68 1.39 -1.61 0.38 -0.04 -1.26 -4.79 135.00 136.75 1jvr n PRO 73 Ca 0.27 -0.64 -0.00 0.00 -0.04 0.00 0.00 63.50 63.09 1jvr n PRO 73 Cb 0.35 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1jvr n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jvr n LYS 74 N 2.47 -0.12 0.00 0.54 5.02 -1.26 -4.19 118.16 120.61 1jvr n LYS 74 Ca 0.27 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1jvr n LYS 74 Cb 0.65 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jvr n GLY 75 N 0.80 0.11 2.99 0.72 0.00 -1.26 -5.12 105.19 103.42 1jvr n GLY 75 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.94 -0.64 1.61 9.36 -1.26 -4.96 117.16 117.33 1jvr n TYR 76 Ca 0.00 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.41 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 1.94 -0.28 -0.22 2.98 -0.04 -1.26 -4.84 135.00 133.27 1jvr n PRO 77 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1jvr n PRO 77 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 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 3.75 -0.57 1.83 0.55 0.00 -1.26 -3.96 105.19 105.53 1jvr n GLY 78 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.35 4.26 -0.23 1.61 1.74 -1.26 -4.48 116.66 116.95 1jvr n ARG 79 Ca 0.00 -3.12 -0.04 0.00 -0.77 0.00 0.00 57.85 53.92 1jvr n ARG 79 Cb 0.10 -2.21 0.06 0.00 -1.02 0.00 0.00 32.46 29.39 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 3.27 1.11 -0.39 1.55 2.07 -1.85 -1.57 116.25 120.44 1jvr h VAL 80 Ca 0.10 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1jvr h VAL 80 Cb 2.06 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1jvr h VAL 80 CO 0.56 0.15 -0.35 0.58 0.02 0.00 0.00 177.57 178.53 1jvr h VAL 81 N 0.84 1.27 -0.27 2.57 2.07 -1.79 -1.68 116.25 119.25 1jvr h VAL 81 Ca 0.26 -1.52 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1jvr h VAL 81 Cb -0.02 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1jvr h VAL 81 CO -0.09 0.51 0.29 -0.08 0.02 0.00 0.00 177.57 178.22 1jvr h GLU 82 N 0.76 0.00 0.00 1.57 4.57 -1.65 1.44 114.58 121.27 1jvr h GLU 82 Ca 0.07 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1jvr h GLU 82 Cb 0.94 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1jvr h GLU 82 CO 0.09 0.00 -0.43 0.82 -1.18 0.00 0.00 179.01 178.31 1jvr h ILE 83 N 0.00 0.62 -0.12 2.32 2.04 -0.90 -3.30 117.51 118.16 1jvr h ILE 83 Ca 0.13 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.45 1jvr h ILE 83 Cb 0.70 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1jvr h ILE 83 CO -0.00 0.21 0.09 0.40 0.00 0.00 0.00 178.15 178.85 1jvr h ILE 84 N -1.00 0.90 -0.51 -0.67 2.04 -0.64 0.11 117.51 117.74 1jvr h ILE 84 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1jvr h ILE 84 Cb 0.66 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1jvr h ILE 84 CO -0.05 0.00 0.34 -1.13 0.00 0.00 0.00 178.15 177.31 1jvr h ASN 85 N 0.00 0.54 0.20 1.72 -1.24 0.19 0.17 115.58 117.16 1jvr h ASN 85 Ca 0.06 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 1jvr h ASN 85 Cb 0.23 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1jvr h ASN 85 CO -0.00 0.39 -0.18 0.40 -1.29 0.00 0.00 177.43 176.75 1jvr h ILE 86 N 0.64 1.08 0.03 2.57 2.04 -0.86 0.63 117.51 123.64 1jvr h ILE 86 Ca 0.19 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 1jvr h ILE 86 Cb 0.00 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jvr h ILE 86 CO -0.05 0.18 -0.47 -0.07 0.00 0.00 0.00 178.15 177.74 1jvr h LEU 87 N 0.00 0.36 -0.01 1.44 3.38 -0.72 -2.89 115.31 116.87 1jvr h LEU 87 Ca -0.00 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.14 1jvr h LEU 87 Cb 0.32 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jvr h LEU 87 CO 0.02 1.14 0.00 0.58 0.09 0.00 0.00 178.44 180.28 1jvr h VAL 88 N -0.37 1.15 0.00 1.22 2.07 -0.68 -1.41 116.25 118.23 1jvr h VAL 88 Ca -0.07 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1jvr h VAL 88 Cb 1.24 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1jvr h VAL 88 CO 0.09 0.12 0.20 0.50 0.02 0.00 0.00 177.57 178.50 1jvr h LYS 89 N -0.17 0.00 -0.71 1.57 3.64 0.16 1.23 116.57 122.28 1jvr h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jvr h LYS 89 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 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 -2.89 3.40 0.06 4.20 2.85 -0.53 -4.47 115.26 117.87 1jvr n ASN 90 Ca -0.02 -2.43 0.00 0.00 -0.11 0.00 0.00 54.58 52.01 1jvr n ASN 90 Cb 0.25 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1jvr n ASN 90 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jvr n GLN 91 N 0.40 0.00 -1.83 1.20 3.00 0.38 -5.00 117.38 115.53 1jvr n GLN 91 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1jvr n GLN 91 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.92 1jvr n GLN 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1jvr n VAL 92 N -2.82 -0.25 -3.64 5.09 0.24 0.11 -4.82 118.33 112.25 1jvr n VAL 92 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1jvr n VAL 92 Cb 0.00 -1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 30.98 1jvr n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jvr s SER 93 N -2.01 -0.04 0.32 -1.34 1.04 -1.26 -5.13 113.70 105.28 1jvr s SER 93 Ca 0.00 0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.18 1jvr s SER 93 Cb 0.00 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.07 1jvr s SER 93 CO 0.00 -0.06 1.07 -2.16 0.98 0.00 0.00 173.24 173.07 1jvr s PRO 94 N -1.71 4.47 -0.81 4.02 0.04 -1.26 -4.98 135.00 134.77 1jvr s PRO 94 Ca 0.10 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1jvr s PRO 94 Cb -0.01 -2.95 0.32 0.00 0.04 0.00 0.00 34.50 31.90 1jvr s PRO 94 CO -0.05 0.10 1.33 0.43 0.04 0.00 0.00 177.00 178.85 1jvr n SER 95 N 0.73 5.74 -2.88 6.66 7.64 -1.26 -4.79 113.62 125.46 1jvr n SER 95 Ca 0.01 -3.64 -0.10 0.00 1.01 0.00 0.00 58.87 56.15 1jvr n SER 95 Cb 0.47 -0.88 -0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jvr n ALA 96 N 0.07 -0.82 0.06 -0.43 0.00 -1.26 -5.02 120.51 113.11 1jvr n ALA 96 Ca 0.37 -1.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.17 1jvr n ALA 96 Cb 0.34 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1jvr n ALA 96 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 97 N 4.79 -0.25 0.00 0.00 0.13 -2.04 -3.46 132.00 131.17 1jvr h PRO 97 Ca 0.04 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1jvr h PRO 97 Cb 1.05 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jvr h PRO 97 CO 0.17 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 177.96 1jvr n ALA 98 N -2.69 2.40 0.00 -0.56 0.00 -1.26 -5.10 120.51 113.30 1jvr n ALA 98 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1jvr n ALA 98 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.60 0.00 -0.89 0.00 0.00 -1.26 -5.00 120.51 111.76 1jvr n ALA 99 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1jvr n ALA 99 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 2.26 -1.46 0.00 -0.04 -1.26 -4.88 135.00 129.61 1jvr n PRO 100 Ca 0.00 -1.35 -0.40 0.00 -0.04 0.00 0.00 63.50 61.71 1jvr n PRO 100 Cb 0.00 -2.30 -0.15 0.00 -0.04 0.00 0.00 33.50 31.01 1jvr n PRO 100 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1jvr n VAL 101 N 3.39 0.00 -0.97 0.52 3.14 -1.26 -4.68 118.33 118.48 1jvr n VAL 101 Ca 0.48 -0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.58 1jvr n VAL 101 Cb 0.39 -0.48 -0.03 0.00 -1.06 0.00 0.00 33.84 32.65 1jvr n VAL 101 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jvr n PRO 102 N 8.25 2.69 -0.20 1.45 -0.04 -1.26 -4.65 135.00 141.23 1jvr n PRO 102 Ca 0.64 -1.69 -0.02 0.00 -0.04 0.00 0.00 63.50 62.39 1jvr n PRO 102 Cb 0.03 -2.54 0.05 0.00 -0.04 0.00 0.00 33.50 30.99 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 3.16 0.30 -4.25 0.52 2.02 -2.01 -3.41 112.91 109.25 1jvr h THR 103 Ca 0.62 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 67.34 1jvr h THR 103 Cb 0.29 0.30 0.13 0.00 -1.74 0.00 0.00 68.15 67.13 1jvr h THR 103 CO 1.48 0.00 0.30 -2.16 0.37 0.00 0.00 175.52 175.52 1jvr s PRO 104 N -6.16 1.21 -0.30 6.66 0.04 -1.26 -5.09 135.00 130.10 1jvr s PRO 104 Ca -0.14 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.04 1jvr s PRO 104 Cb 0.18 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 33.07 1jvr s PRO 104 CO 0.72 -2.16 1.18 -1.50 0.04 0.00 0.00 177.00 175.29 1jvr s ILE 105 N -3.28 -0.07 0.01 0.56 -1.16 -1.26 -5.18 121.20 110.82 1jvr s ILE 105 Ca 0.64 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.70 1jvr s ILE 105 Cb -0.15 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 41.92 1jvr s ILE 105 CO 0.53 0.00 0.14 0.00 -2.81 0.00 0.00 174.94 172.81 1jvr n PRO 107 N 1.33 -2.11 -1.88 0.00 -0.04 -1.26 -4.90 135.00 126.14 1jvr n PRO 107 Ca -0.22 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.02 1jvr n PRO 107 Cb 0.56 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1jvr n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jvr n THR 108 N -4.22 3.65 -1.29 0.52 -1.04 -1.26 -4.96 114.28 105.68 1jvr n THR 108 Ca 0.15 -3.33 -0.32 0.00 -2.04 0.00 0.00 64.05 58.51 1jvr n THR 108 Cb 0.55 -2.55 0.10 0.00 -1.82 0.00 0.00 70.33 66.61 1jvr n THR 108 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jvr s THR 109 N 2.67 2.79 -0.08 12.58 2.01 -1.26 -4.26 115.64 130.10 1jvr s THR 109 Ca 0.46 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.69 1jvr s THR 109 Cb 0.13 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.93 1jvr s THR 109 CO -0.07 -0.28 0.12 0.35 -0.69 0.00 0.00 174.62 174.05 1jvr n THR 110 N -3.24 -2.26 -2.37 -0.82 -2.24 -1.26 -4.77 114.28 97.32 1jvr n THR 110 Ca 0.11 0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 61.86 1jvr n THR 110 Cb 0.52 -2.97 -0.02 0.00 -2.10 0.00 0.00 70.33 65.75 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 -1.23 3.80 -0.33 -0.78 0.04 -1.26 -4.97 135.00 130.28 1jvr s PRO 111 Ca 0.07 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1jvr s PRO 111 Cb -0.01 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1jvr s PRO 111 CO 0.16 -1.27 1.36 -1.25 0.04 0.00 0.00 177.00 176.05 1jvr s PRO 112 N 4.44 3.80 0.83 0.56 0.04 -1.26 -5.01 135.00 138.40 1jvr s PRO 112 Ca 0.59 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1jvr s PRO 112 Cb -0.17 -3.94 0.09 0.00 0.04 0.00 0.00 34.50 30.52 1jvr s PRO 112 CO 0.26 -1.27 1.11 -1.25 0.04 0.00 0.00 177.00 175.89 1jvr s PRO 113 N 4.45 1.84 -0.33 0.56 0.04 -1.26 -4.97 135.00 135.33 1jvr s PRO 113 Ca 0.59 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1jvr s PRO 113 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1jvr s PRO 113 CO 0.27 -1.77 1.37 -1.25 0.04 0.00 0.00 177.00 175.65 1jvr s PRO 114 N -5.19 3.80 0.59 0.56 0.04 -1.26 -5.01 135.00 128.53 1jvr s PRO 114 Ca 0.62 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1jvr s PRO 114 Cb -0.14 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1jvr s PRO 114 CO 0.54 -1.28 1.05 -1.25 0.04 0.00 0.00 177.00 176.10 1jvr s PRO 115 N 4.46 3.36 0.61 0.56 0.04 -1.26 -5.04 135.00 137.74 1jvr s PRO 115 Ca 0.59 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1jvr s PRO 115 Cb -0.17 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1jvr s PRO 115 CO 0.27 -0.77 1.05 -1.25 0.04 0.00 0.00 177.00 176.34 1jvr s PRO 116 N -4.14 3.28 -1.22 0.56 0.04 -1.26 -4.92 135.00 127.34 1jvr s PRO 116 Ca 0.63 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 1jvr s PRO 116 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1jvr s PRO 116 CO 0.37 -0.84 1.88 -0.35 0.04 0.00 0.00 177.00 178.11 1jvr n PRO 117 N -2.27 2.37 -2.61 0.56 -0.04 -1.26 -4.95 135.00 126.81 1jvr n PRO 117 Ca 0.08 -2.75 -0.32 0.00 -0.04 0.00 0.00 63.50 60.47 1jvr n PRO 117 Cb 0.53 -3.51 -0.04 0.00 -0.04 0.00 0.00 33.50 30.45 1jvr n PRO 117 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jvr s SER 118 N 5.06 6.62 -1.22 3.54 0.01 -1.26 -4.93 113.70 121.53 1jvr s SER 118 Ca 0.59 1.43 -0.08 0.00 1.31 0.00 0.00 55.95 59.20 1jvr s SER 118 Cb 0.04 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1jvr s SER 118 CO 0.09 -0.49 2.47 -0.81 0.41 0.00 0.00 173.24 174.90 1jvr n PRO 119 N -1.36 2.77 -1.90 12.44 -0.04 -1.26 -4.74 135.00 140.90 1jvr n PRO 119 Ca 0.05 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1jvr n PRO 119 Cb 0.54 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1jvr n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jvr n GLU 120 N 4.03 -5.24 -1.61 0.54 4.07 -1.26 -4.96 120.64 116.20 1jvr n GLU 120 Ca 0.59 3.76 0.00 0.00 -0.06 0.00 0.00 57.16 61.45 1jvr n GLU 120 Cb 0.18 -4.09 0.00 0.00 -0.06 0.00 0.00 31.44 27.47 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jvr n ALA 121 N 1.03 -2.30 0.08 4.31 0.00 -1.26 -5.05 120.51 117.31 1jvr n ALA 121 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1jvr n ALA 121 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.26 -2.74 -2.70 0.00 -0.00 -1.26 -5.01 115.22 104.79 1jvr n HIS 122 Ca 0.00 0.53 -0.04 0.00 0.46 0.00 0.00 57.72 58.67 1jvr n HIS 122 Cb 0.00 1.55 0.04 0.00 -0.12 0.00 0.00 29.99 31.46 1jvr n HIS 122 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1jvr n VAL 123 N -2.81 0.00 -2.37 3.57 3.14 -1.26 -5.13 118.33 113.47 1jvr n VAL 123 Ca 0.00 -0.57 -0.43 0.00 -2.96 0.00 0.00 64.34 60.38 1jvr n VAL 123 Cb 0.00 0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 33.61 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 0.77 3.80 -0.33 1.45 0.04 -1.26 -4.97 135.00 134.51 1jvr s PRO 124 Ca 0.26 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1jvr s PRO 124 Cb 0.12 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1jvr s PRO 124 CO -0.10 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 175.78 1jvr s PRO 125 N 4.44 3.80 0.23 0.56 0.04 -1.26 -4.99 135.00 137.82 1jvr s PRO 125 Ca 0.59 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1jvr s PRO 125 Cb -0.16 -3.94 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 1jvr s PRO 125 CO 0.26 -1.28 1.10 -1.25 0.04 0.00 0.00 177.00 175.88 1jvr s PRO 126 N 4.45 4.63 1.15 0.56 0.04 -1.26 -5.03 135.00 139.53 1jvr s PRO 126 Ca 0.59 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 1jvr s PRO 126 Cb -0.16 -3.23 0.26 0.00 0.04 0.00 0.00 34.50 31.41 1jvr s PRO 126 CO 0.27 0.16 1.07 0.71 0.04 0.00 0.00 177.00 179.24 1jvr s TYR 127 N -0.75 1.17 -0.13 0.56 2.02 -1.26 -5.03 117.35 113.93 1jvr s TYR 127 Ca 0.47 0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 57.96 1jvr s TYR 127 Cb -0.31 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 37.98 1jvr s TYR 127 CO 0.38 -3.65 -0.03 0.14 -1.57 0.00 0.00 175.55 170.82 1jvr s VAL 128 N -2.80 3.95 0.00 0.71 -7.23 -1.26 -4.77 120.40 108.99 1jvr s VAL 128 Ca 0.68 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1jvr s VAL 128 Cb -0.17 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1jvr s VAL 128 CO 0.59 0.53 0.00 1.21 -0.31 0.00 0.00 175.10 177.11 1jvr n GLU 129 N 3.11 0.00 -1.53 4.82 4.07 -1.26 -5.15 120.64 124.70 1jvr n GLU 129 Ca -0.18 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.63 1jvr n GLU 129 Cb 0.53 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 32.07 1jvr n GLU 129 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1jvr s PRO 130 N 0.00 0.72 -0.11 5.31 0.04 -1.26 -5.04 135.00 134.66 1jvr s PRO 130 Ca 0.00 0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1jvr s PRO 130 Cb 0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1jvr s PRO 130 CO 0.00 -2.45 -0.20 2.41 0.04 0.00 0.00 177.00 176.80 1jvr n THR 131 N -3.91 1.14 0.04 1.26 -1.04 -1.26 -4.99 114.28 105.51 1jvr n THR 131 Ca 0.09 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1jvr n THR 131 Cb 0.59 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1jvr n THR 131 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1jvr n THR 132 N -3.88 0.14 -3.55 12.58 -1.04 -1.24 -4.78 114.28 112.52 1jvr n THR 132 Ca -0.19 0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 1jvr n THR 132 Cb 0.50 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 68.11 1jvr n THR 132 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1jvr n THR 133 N -2.95 0.00 -4.24 12.58 5.66 -1.26 0.42 114.28 124.48 1jvr n THR 133 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1jvr n THR 133 Cb 0.12 -0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 1jvr n THR 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jvr n GLN 134 N -3.23 -0.91 0.18 1.09 0.00 -1.26 -4.52 117.38 108.73 1jvr n GLN 134 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.16 1jvr n GLN 134 Cb 0.44 -3.53 0.00 0.00 0.00 0.00 0.00 30.24 27.15 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06