#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 -3.47 -1.40 0.00 -1.26 -5.07 117.12 105.92 1jvr n MET 1 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 1jvr n MET 1 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 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 -1.04 -0.54 3.56 -5.12 0.00 -1.26 -4.62 105.19 96.17 1jvr n GLY 2 Ca 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 46.02 46.62 1jvr n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jvr s GLN 3 N -3.50 1.91 0.08 1.61 -1.52 -1.26 -4.80 119.66 112.18 1jvr s GLN 3 Ca 0.16 0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 1jvr s GLN 3 Cb -0.02 -4.89 0.00 0.00 -0.22 0.00 0.00 33.01 27.88 1jvr s GLN 3 CO 0.79 -4.12 0.00 0.44 -0.25 0.00 0.00 175.29 172.15 1jvr n ILE 4 N 8.49 0.00 -1.42 1.08 -0.00 -1.26 -4.03 119.36 122.21 1jvr n ILE 4 Ca 0.44 0.00 -0.49 0.00 -0.00 0.00 0.00 62.75 62.70 1jvr n ILE 4 Cb 0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.99 1jvr n ILE 4 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1jvr n HIS 5 N 0.00 1.26 -2.99 4.28 8.25 -1.26 -4.79 115.22 119.97 1jvr n HIS 5 Ca 0.00 0.40 -0.16 0.00 -0.26 0.00 0.00 57.72 57.70 1jvr n HIS 5 Cb 0.00 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 28.66 1jvr n HIS 5 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jvr n GLY 6 N 6.71 1.83 3.68 -1.41 0.00 -1.26 -5.11 105.19 109.64 1jvr n GLY 6 Ca 0.49 -0.84 -0.50 0.00 0.00 0.00 0.00 46.02 45.17 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 1.04 3.06 -1.46 0.99 0.00 -1.26 -4.54 117.00 114.84 1jvr n LEU 7 Ca 0.16 1.02 0.14 0.00 0.00 0.00 0.00 56.01 57.33 1jvr n LEU 7 Cb 0.62 -1.32 -0.08 0.00 0.00 0.00 0.00 43.42 42.64 1jvr n LEU 7 CO 0.12 -0.23 -0.60 -0.24 0.00 0.00 0.00 177.39 176.44 1jvr n SER 8 N 5.57 -7.68 -4.56 1.96 2.88 -1.26 -4.42 113.62 106.11 1jvr n SER 8 Ca 0.22 1.50 -0.34 0.00 -1.33 0.00 0.00 58.87 58.91 1jvr n SER 8 Cb 0.25 -4.93 -0.04 0.00 -0.75 0.00 0.00 64.21 58.74 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 -4.59 3.10 -0.09 -1.46 0.04 -1.26 -4.77 135.00 125.97 1jvr s PRO 9 Ca 0.00 -0.82 -0.25 0.00 0.04 0.00 0.00 61.00 59.97 1jvr s PRO 9 Cb 0.00 -5.24 -0.21 0.00 0.04 0.00 0.00 34.50 29.09 1jvr s PRO 9 CO 0.00 -2.82 0.89 1.15 0.04 0.00 0.00 177.00 176.26 1jvr h THR 10 N 6.89 1.42 -2.87 1.26 2.02 -1.87 -3.42 112.91 116.34 1jvr h THR 10 Ca 0.17 -1.73 -0.55 0.00 0.77 0.00 0.00 66.41 65.08 1jvr h THR 10 Cb 1.00 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.88 1jvr h THR 10 CO 1.33 0.42 1.12 -2.16 0.37 0.00 0.00 175.52 176.60 1jvr s PRO 11 N -2.97 3.33 -0.08 6.66 0.04 -1.26 -4.87 135.00 135.84 1jvr s PRO 11 Ca -0.16 0.65 -0.24 0.00 0.04 0.00 0.00 61.00 61.29 1jvr s PRO 11 Cb -0.01 -4.12 -0.20 0.00 0.04 0.00 0.00 34.50 30.21 1jvr s PRO 11 CO 0.61 -1.89 0.89 0.82 0.04 0.00 0.00 177.00 177.47 1jvr h ILE 12 N 6.46 1.29 0.20 0.56 2.04 -2.02 -3.38 117.51 122.66 1jvr h ILE 12 Ca -0.27 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1jvr h ILE 12 Cb 1.10 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 1jvr h ILE 12 CO 1.15 0.37 -0.10 1.55 0.00 0.00 0.00 178.15 181.12 1jvr h PRO 13 N -0.82 -0.26 0.00 2.37 0.13 -1.99 -3.49 132.00 127.94 1jvr h PRO 13 Ca -0.01 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jvr h PRO 13 Cb 0.66 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1jvr h PRO 13 CO 0.01 -0.02 0.00 1.17 -0.23 0.00 0.00 178.00 178.94 1jvr n LYS 14 N -4.94 0.00 -2.66 0.86 4.81 -1.26 -5.06 118.16 109.91 1jvr n LYS 14 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 1jvr n LYS 14 Cb 0.18 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.28 1jvr n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jvr n ALA 15 N -2.55 -3.96 0.01 3.14 0.00 -1.26 -4.73 120.51 111.16 1jvr n ALA 15 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1jvr n ALA 15 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 19.45 15.85 1jvr n ALA 15 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jvr h PRO 16 N 3.77 0.66 -5.23 0.00 0.13 -1.98 -3.42 132.00 125.94 1jvr h PRO 16 Ca -0.08 -0.64 -0.15 0.00 -0.87 0.00 0.00 66.00 64.25 1jvr h PRO 16 Cb 1.19 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1jvr h PRO 16 CO -0.16 1.25 0.79 -2.13 -0.23 0.00 0.00 178.00 177.51 1jvr n ARG 17 N -3.98 0.37 -2.57 0.86 3.00 -1.26 -4.68 116.66 108.41 1jvr n ARG 17 Ca -0.10 -0.52 -0.36 0.00 -0.00 0.00 0.00 57.85 56.87 1jvr n ARG 17 Cb 0.78 -2.73 0.01 0.00 0.00 0.00 0.00 32.46 30.52 1jvr n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jvr n GLY 18 N 6.33 5.89 2.94 5.14 0.00 -1.26 -4.82 105.19 119.41 1jvr n GLY 18 Ca 0.54 -2.63 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1jvr n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jvr s LEU 19 N -4.01 -0.70 0.00 0.99 1.43 -1.26 -4.86 118.68 110.27 1jvr s LEU 19 Ca 0.45 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1jvr s LEU 19 Cb 0.28 1.14 0.00 0.00 0.03 0.00 0.00 46.19 47.64 1jvr s LEU 19 CO -0.19 -0.25 0.00 -1.54 0.23 0.00 0.00 176.35 174.60 1jvr n SER 20 N 4.52 0.00 -4.29 2.29 3.41 -1.26 -5.08 113.62 113.21 1jvr n SER 20 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 1jvr n SER 20 Cb 0.50 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1jvr n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jvr s THR 21 N 0.53 0.92 0.00 6.66 2.01 -1.26 -4.44 115.64 120.05 1jvr s THR 21 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1jvr s THR 21 Cb 0.00 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.29 1jvr s THR 21 CO 0.00 -0.41 0.00 0.00 -0.69 0.00 0.00 174.62 173.52 1jvr n HIS 22 N -0.34 0.00 0.01 4.92 1.44 -1.26 -4.68 115.22 115.31 1jvr n HIS 22 Ca -0.06 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.65 1jvr n HIS 22 Cb 0.63 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.74 1jvr n HIS 22 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1jvr n HIS 23 N -2.00 0.00 -0.09 -1.40 -0.00 -1.26 -4.53 115.22 105.94 1jvr n HIS 23 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1jvr n HIS 23 Cb 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.99 29.93 1jvr n HIS 23 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1jvr h TRP 24 N -0.02 0.77 -0.89 1.57 -0.00 -1.83 -2.71 115.95 112.83 1jvr h TRP 24 Ca -0.01 -0.23 0.19 0.00 -0.00 0.00 0.00 58.89 58.84 1jvr h TRP 24 Cb 0.83 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.16 29.76 1jvr h TRP 24 CO -0.00 0.96 0.59 1.25 -0.00 0.00 0.00 178.44 181.23 1jvr h LEU 25 N 0.37 0.45 -2.14 0.65 5.85 -1.86 1.36 115.31 120.01 1jvr h LEU 25 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jvr h LEU 25 Cb 0.82 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1jvr h LEU 25 CO 0.07 0.19 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.16 1jvr h ASN 26 N 0.46 0.00 0.18 1.25 -0.73 -1.72 1.50 115.58 116.52 1jvr h ASN 26 Ca 0.47 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 58.29 1jvr h ASN 26 Cb 1.08 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.62 1jvr h ASN 26 CO -0.19 0.07 -2.11 0.33 -0.37 0.00 0.00 177.43 175.16 1jvr n PHE 27 N -3.85 0.59 0.16 0.67 -0.00 0.41 -3.63 117.46 111.82 1jvr n PHE 27 Ca -0.02 0.17 0.05 0.00 -0.00 0.00 0.00 57.45 57.65 1jvr n PHE 27 Cb 0.16 -1.09 0.13 0.00 -0.00 0.00 0.00 39.48 38.67 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 0.02 0.00 0.44 -2.13 5.85 0.65 -2.63 115.31 117.51 1jvr h LEU 28 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 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 0.39 -0.21 1.56 -0.34 0.00 0.00 178.44 179.87 1jvr h GLN 29 N 0.00 -0.57 -0.67 1.25 4.20 0.19 -1.91 115.11 117.60 1jvr h GLN 29 Ca -0.00 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.83 1jvr h GLN 29 Cb 1.21 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 29.06 1jvr h GLN 29 CO 0.05 -0.34 0.33 0.00 -0.67 0.00 0.00 178.83 178.20 1jvr h ALA 30 N -1.06 0.91 -0.50 3.87 0.00 -1.66 0.35 119.26 121.17 1jvr h ALA 30 Ca -0.06 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1jvr h ALA 30 Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1jvr h ALA 30 CO 0.10 -0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.64 1jvr h ALA 31 N 1.40 2.00 0.00 0.00 0.00 -1.52 0.36 119.26 121.50 1jvr h ALA 31 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jvr h ALA 31 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jvr h ALA 31 CO -0.25 -0.11 -0.33 -0.92 0.00 0.00 0.00 179.25 177.65 1jvr h TYR 32 N 0.36 0.00 0.00 0.00 5.03 0.31 -3.21 116.97 119.46 1jvr h TYR 32 Ca 0.23 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1jvr h TYR 32 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1jvr h TYR 32 CO -0.00 0.00 -0.70 -0.09 -1.32 0.00 0.00 178.16 176.05 1jvr h ARG 33 N 0.00 0.00 0.00 1.82 2.43 0.31 -3.45 114.38 115.49 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 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1jvr h ARG 33 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1jvr n LEU 34 N -2.64 0.00 -4.12 3.80 4.77 0.50 -4.64 117.00 114.67 1jvr n LEU 34 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1jvr n LEU 34 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1jvr n LEU 34 CO 0.38 0.00 1.96 0.00 -1.33 0.00 0.00 177.39 178.40 1jvr n GLN 35 N 0.00 0.00 -2.32 3.23 -0.00 -1.26 -4.73 117.38 112.29 1jvr n GLN 35 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.65 1jvr n GLN 35 Cb 0.00 -1.39 -0.04 0.00 -0.00 0.00 0.00 30.24 28.81 1jvr n GLN 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1jvr s PRO 36 N 7.68 3.16 0.00 2.61 0.04 -1.26 -4.77 135.00 142.46 1jvr s PRO 36 Ca 1.23 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1jvr s PRO 36 Cb -1.22 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.02 1jvr s PRO 36 CO 0.49 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1jvr n GLY 37 N 6.34 -1.05 0.00 0.56 0.00 -1.26 -5.10 105.19 104.68 1jvr n GLY 37 Ca 0.41 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1jvr n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jvr n PRO 38 N 0.00 0.00 -3.17 1.61 -0.04 -1.26 -4.97 135.00 127.16 1jvr n PRO 38 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1jvr n PRO 38 Cb 0.00 -0.14 0.01 0.00 -0.04 0.00 0.00 33.50 33.34 1jvr n PRO 38 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jvr n SER 39 N -0.01 -5.84 -2.40 3.54 7.64 -1.26 -4.95 113.62 110.34 1jvr n SER 39 Ca 0.00 0.18 -0.05 0.00 1.01 0.00 0.00 58.87 60.01 1jvr n SER 39 Cb 0.00 -1.50 0.04 0.00 -1.01 0.00 0.00 64.21 61.74 1jvr n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jvr n ASP 40 N 0.78 -0.25 -2.16 6.43 10.43 -1.26 -4.68 116.55 125.84 1jvr n ASP 40 Ca -0.03 -0.98 -0.07 0.00 2.57 0.00 0.00 54.79 56.28 1jvr n ASP 40 Cb 0.54 -0.17 0.04 0.00 1.84 0.00 0.00 41.12 43.36 1jvr n ASP 40 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1jvr n PHE 41 N -2.44 -1.03 -1.53 1.24 7.35 -1.26 -4.96 117.46 114.83 1jvr n PHE 41 Ca 0.03 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1jvr n PHE 41 Cb 0.10 -3.32 0.00 0.00 0.35 0.00 0.00 39.48 36.60 1jvr n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1jvr n ASP 42 N -2.08 0.01 -0.02 -2.13 5.75 -1.26 -4.79 116.55 112.03 1jvr n ASP 42 Ca -0.09 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1jvr n ASP 42 Cb 0.57 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 1jvr n ASP 42 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jvr n PHE 43 N -0.00 0.00 -0.30 2.11 3.01 -1.26 -4.46 117.46 116.55 1jvr n PHE 43 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1jvr n PHE 43 Cb 0.61 -0.22 0.11 0.00 -0.01 0.00 0.00 39.48 39.97 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 0.98 0.00 -1.08 3.07 -1.98 0.94 115.11 117.03 1jvr h GLN 44 Ca -0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.57 1jvr h GLN 44 Cb 0.83 -0.22 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 1jvr h GLN 44 CO 0.00 0.65 -0.17 1.96 0.09 0.00 0.00 178.83 181.37 1jvr h GLN 45 N 1.01 0.00 0.00 0.06 4.20 -1.92 -2.55 115.11 115.92 1jvr h GLN 45 Ca 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1jvr h GLN 45 Cb 0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1jvr h GLN 45 CO -0.13 0.17 -0.22 -0.07 -0.67 0.00 0.00 178.83 177.91 1jvr h LEU 46 N 0.00 0.00 -1.90 1.46 3.38 -1.19 -3.05 115.31 114.01 1jvr h LEU 46 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jvr h LEU 46 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jvr h LEU 46 CO 0.02 0.79 0.35 -0.09 0.09 0.00 0.00 178.44 179.59 1jvr h ARG 47 N -1.00 0.00 0.16 1.13 9.65 0.78 0.60 114.38 125.70 1jvr h ARG 47 Ca -0.04 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.53 1jvr h ARG 47 Cb 0.50 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1jvr h ARG 47 CO -0.02 0.00 -1.47 -0.09 2.80 0.00 0.00 179.97 181.19 1jvr h ARG 48 N 0.00 0.35 -0.16 0.20 2.43 -1.53 -2.17 114.38 113.50 1jvr h ARG 48 Ca 0.00 -0.59 -0.18 0.00 -0.81 0.00 0.00 59.98 58.40 1jvr h ARG 48 Cb 0.69 0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1jvr h ARG 48 CO 0.00 1.25 -0.62 0.35 -1.51 0.00 0.00 179.97 179.44 1jvr h PHE 49 N 0.09 0.93 0.23 2.20 3.57 0.23 -2.01 116.94 122.18 1jvr h PHE 49 Ca -0.23 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 60.87 1jvr h PHE 49 Cb 2.05 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.64 1jvr h PHE 49 CO 0.08 1.20 -0.11 -0.07 -2.23 0.00 0.00 178.31 177.18 1jvr h LEU 50 N 0.40 -0.26 -2.17 0.59 3.38 -1.12 -1.65 115.31 114.48 1jvr h LEU 50 Ca -0.03 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1jvr h LEU 50 Cb 1.25 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1jvr h LEU 50 CO 0.13 0.15 0.27 0.50 0.09 0.00 0.00 178.44 179.58 1jvr h LYS 51 N -0.72 0.00 0.38 1.13 3.64 -1.47 0.31 116.57 119.83 1jvr h LYS 51 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1jvr h LYS 51 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1jvr h LYS 51 CO 0.05 0.00 -0.18 1.25 -2.27 0.00 0.00 179.45 178.30 1jvr h LEU 52 N 0.00 -0.43 -2.00 5.20 6.46 -1.02 -3.14 115.31 120.38 1jvr h LEU 52 Ca 0.10 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.01 1jvr h LEU 52 Cb 0.64 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1jvr h LEU 52 CO -0.00 0.01 0.45 0.00 -0.62 0.00 0.00 178.44 178.28 1jvr h ALA 53 N -1.04 2.54 0.00 1.25 0.00 -0.33 1.27 119.26 122.95 1jvr h ALA 53 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jvr h ALA 53 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jvr h ALA 53 CO 0.09 -0.76 0.00 -0.11 0.00 0.00 0.00 179.25 178.47 1jvr n LEU 54 N -4.29 0.22 0.00 0.00 7.94 0.00 -0.63 117.00 120.25 1jvr n LEU 54 Ca 0.11 0.58 0.13 0.00 -1.11 0.00 0.00 56.01 55.73 1jvr n LEU 54 Cb 0.69 -0.58 0.78 0.00 0.53 0.00 0.00 43.42 44.84 1jvr n LEU 54 CO 0.36 -0.54 0.97 0.29 -1.11 0.00 0.00 177.39 177.36 1jvr n LYS 55 N -1.78 0.78 -3.29 1.96 4.76 0.44 -4.32 118.16 116.71 1jvr n LYS 55 Ca 0.01 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 1jvr n LYS 55 Cb 0.09 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 1jvr n LYS 55 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1jvr s THR 56 N -2.07 -0.64 -1.13 -0.18 -1.32 0.20 -5.05 115.64 105.45 1jvr s THR 56 Ca 0.38 -0.41 -0.16 0.00 -1.21 0.00 0.00 61.69 60.29 1jvr s THR 56 Cb 0.18 -0.74 -0.07 0.00 -1.51 0.00 0.00 72.50 70.37 1jvr s THR 56 CO 0.32 -0.30 2.16 -0.81 -2.21 0.00 0.00 174.62 173.78 1jvr n PRO 57 N 4.91 2.28 -0.00 7.08 -0.04 -1.26 -3.94 135.00 144.03 1jvr n PRO 57 Ca 0.05 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1jvr n PRO 57 Cb 0.50 -2.99 -0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.21 0.00 0.03 0.52 0.13 -1.26 -4.45 119.36 119.55 1jvr n ILE 58 Ca 0.53 -0.01 0.08 0.00 -1.10 0.00 0.00 62.75 62.25 1jvr n ILE 58 Cb 0.35 0.09 -0.10 0.00 -0.84 0.00 0.00 39.64 39.14 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 -1.64 0.50 0.08 9.51 4.27 -1.25 -3.98 117.44 124.93 1jvr n TRP 59 Ca -0.00 0.15 -0.12 0.00 -3.89 0.00 0.00 57.50 53.64 1jvr n TRP 59 Cb 0.14 -0.80 -0.08 0.00 -1.36 0.00 0.00 31.31 29.22 1jvr n TRP 59 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1jvr h LEU 60 N 0.00 -0.23 -0.41 5.67 4.07 -1.84 0.73 115.31 123.31 1jvr h LEU 60 Ca -0.07 -0.30 0.05 0.00 0.08 0.00 0.00 57.88 57.64 1jvr h LEU 60 Cb 1.19 0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.91 1jvr h LEU 60 CO 0.01 0.26 -0.54 0.78 -1.08 0.00 0.00 178.44 177.86 1jvr h ASN 61 N -0.80 -1.80 0.80 -0.43 4.21 -1.78 0.53 115.58 116.32 1jvr h ASN 61 Ca -0.03 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1jvr h ASN 61 Cb 0.51 0.74 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 1jvr h ASN 61 CO 0.05 -0.40 0.00 -0.81 -1.29 0.00 0.00 177.43 174.97 1jvr n PRO 62 N -5.38 0.03 -2.84 0.81 -0.04 -1.24 -4.96 135.00 121.38 1jvr n PRO 62 Ca -0.03 0.15 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1jvr n PRO 62 Cb 0.35 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.61 -1.83 -3.31 0.52 0.13 0.25 -4.99 119.36 108.53 1jvr n ILE 63 Ca 0.05 0.40 0.03 0.00 -1.10 0.00 0.00 62.75 62.13 1jvr n ILE 63 Cb 0.27 -2.61 -0.03 0.00 -0.84 0.00 0.00 39.64 36.43 1jvr n ILE 63 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jvr s ASP 64 N -0.89 -0.89 0.35 9.51 3.68 -1.02 -5.00 116.67 122.40 1jvr s ASP 64 Ca 0.02 0.83 0.22 0.00 2.13 0.00 0.00 52.55 55.76 1jvr s ASP 64 Cb -0.00 1.86 1.20 0.00 -1.45 0.00 0.00 42.92 44.53 1jvr s ASP 64 CO 0.05 -0.17 1.67 0.22 0.13 0.00 0.00 175.17 177.07 1jvr h TYR 65 N 7.86 0.00 -0.15 -5.34 5.03 -1.94 -1.25 116.97 121.19 1jvr h TYR 65 Ca -0.18 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.18 1jvr h TYR 65 Cb 1.14 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 1jvr h TYR 65 CO 0.13 0.00 0.24 0.66 -1.32 0.00 0.00 178.16 177.87 1jvr h SER 66 N 0.00 0.00 0.64 -2.11 4.64 -1.97 0.80 113.55 115.54 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jvr h SER 66 CO 0.00 0.00 -1.28 -0.11 -0.87 0.00 0.00 176.83 174.57 1jvr n LEU 67 N -3.51 0.58 0.20 5.97 0.00 -0.47 -3.84 117.00 115.92 1jvr n LEU 67 Ca 0.01 0.19 -0.08 0.00 0.00 0.00 0.00 56.01 56.12 1jvr n LEU 67 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 43.42 43.67 1jvr n LEU 67 CO 0.24 -0.10 0.28 -0.07 0.00 0.00 0.00 177.39 177.74 1jvr h LEU 68 N 0.00 -0.46 -1.99 -1.96 3.38 0.48 -2.70 115.31 112.06 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 0.96 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jvr h LEU 68 CO 0.00 -0.15 0.35 0.00 0.09 0.00 0.00 178.44 178.72 1jvr h ALA 69 N -1.39 1.40 -0.31 1.53 0.00 -1.53 0.56 119.26 119.52 1jvr h ALA 69 Ca -0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1jvr h ALA 69 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jvr h ALA 69 CO 0.09 -0.36 -0.50 1.03 0.00 0.00 0.00 179.25 179.51 1jvr h SER 70 N 0.00 0.97 -0.89 0.00 0.87 -1.62 -3.02 113.55 109.85 1jvr h SER 70 Ca 0.02 -0.50 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 1jvr h SER 70 Cb 0.71 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 1jvr h SER 70 CO -0.00 1.29 0.57 -0.07 -0.53 0.00 0.00 176.83 178.09 1jvr h LEU 71 N 0.69 0.91 -9.07 2.23 4.07 0.45 -3.41 115.31 111.19 1jvr h LEU 71 Ca 0.03 0.01 -0.62 0.00 0.08 0.00 0.00 57.88 57.37 1jvr h LEU 71 Cb 1.10 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 42.66 1jvr h LEU 71 CO 0.11 0.60 1.24 -0.38 -1.08 0.00 0.00 178.44 178.93 1jvr n ILE 72 N -4.57 0.46 -0.64 1.22 5.41 -1.14 -4.78 119.36 115.32 1jvr n ILE 72 Ca 0.12 -0.20 -0.06 0.00 1.00 0.00 0.00 62.75 63.61 1jvr n ILE 72 Cb 0.15 -1.95 -0.09 0.00 -0.71 0.00 0.00 39.64 37.04 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 7.35 1.27 -1.73 0.38 -0.04 -1.26 -4.79 135.00 136.18 1jvr n PRO 73 Ca 0.28 -0.52 -0.01 0.00 -0.04 0.00 0.00 63.50 63.21 1jvr n PRO 73 Cb 0.31 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.33 -0.15 0.00 0.54 4.01 -1.26 -4.22 118.16 119.40 1jvr n LYS 74 Ca 0.22 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 1jvr n LYS 74 Cb 0.59 -0.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.65 1jvr n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jvr n GLY 75 N 0.81 0.08 2.61 0.72 0.00 -1.26 -5.12 105.19 103.02 1jvr n GLY 75 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.56 -0.67 1.61 9.36 -1.26 -4.95 117.16 117.69 1jvr n TYR 76 Ca 0.00 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1jvr n TYR 76 Cb 0.00 -1.29 0.00 0.00 -0.63 0.00 0.00 39.34 37.42 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 1.74 -0.34 -0.31 2.98 -0.04 -1.26 -4.86 135.00 132.92 1jvr n PRO 77 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1jvr n PRO 77 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 3.77 -0.66 1.72 0.55 0.00 -1.26 -4.04 105.19 105.27 1jvr n GLY 78 Ca 0.00 -0.52 0.06 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 -1.57 4.38 -0.15 1.61 3.00 -1.26 -4.49 116.66 118.17 1jvr n ARG 79 Ca 0.00 -3.11 -0.07 0.00 -0.01 0.00 0.00 57.85 54.67 1jvr n ARG 79 Cb 0.14 -2.18 0.02 0.00 0.00 0.00 0.00 32.46 30.44 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 3.40 1.09 -0.46 1.55 2.07 -1.92 -1.80 116.25 120.17 1jvr h VAL 80 Ca 0.03 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1jvr h VAL 80 Cb 1.93 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1jvr h VAL 80 CO 0.47 0.11 -0.23 0.58 0.02 0.00 0.00 177.57 178.52 1jvr h VAL 81 N 0.58 1.27 -0.16 2.57 2.07 -1.79 -0.27 116.25 120.52 1jvr h VAL 81 Ca 0.17 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1jvr h VAL 81 Cb -0.03 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1jvr h VAL 81 CO -0.06 0.48 0.24 -0.33 0.02 0.00 0.00 177.57 177.92 1jvr h GLU 82 N 0.82 0.00 0.01 1.57 5.08 -1.67 1.49 114.58 121.88 1jvr h GLU 82 Ca 0.10 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.17 1jvr h GLU 82 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1jvr h GLU 82 CO 0.07 0.00 -1.59 -0.89 -1.00 0.00 0.00 179.01 175.60 1jvr n ILE 83 N -3.52 1.55 -0.22 3.13 5.41 -0.74 -3.86 119.36 121.10 1jvr n ILE 83 Ca 0.01 -0.15 -0.06 0.00 1.00 0.00 0.00 62.75 63.56 1jvr n ILE 83 Cb 0.35 -1.98 0.05 0.00 -0.71 0.00 0.00 39.64 37.34 1jvr n ILE 83 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1jvr h ILE 84 N -0.92 1.15 -0.95 1.39 2.04 -0.20 -0.96 117.51 119.07 1jvr h ILE 84 Ca -0.43 -0.29 0.20 0.00 1.00 0.00 0.00 64.86 65.34 1jvr h ILE 84 Cb 1.42 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1jvr h ILE 84 CO -0.24 0.16 0.61 -1.13 0.00 0.00 0.00 178.15 177.55 1jvr h ASN 85 N 0.85 0.56 0.54 1.72 -1.24 0.19 1.45 115.58 119.65 1jvr h ASN 85 Ca 0.24 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.27 1jvr h ASN 85 Cb -0.09 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1jvr h ASN 85 CO -0.06 0.21 -0.17 0.40 -1.29 0.00 0.00 177.43 176.52 1jvr h ILE 86 N 0.55 0.60 -0.04 2.57 2.04 -1.29 -0.09 117.51 121.86 1jvr h ILE 86 Ca 0.51 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1jvr h ILE 86 Cb 1.08 1.50 0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1jvr h ILE 86 CO -0.25 0.17 -0.40 -0.07 0.00 0.00 0.00 178.15 177.60 1jvr h LEU 87 N 0.00 0.42 -0.01 1.44 3.38 0.22 -2.77 115.31 117.99 1jvr h LEU 87 Ca -0.00 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 1jvr h LEU 87 Cb 0.49 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jvr h LEU 87 CO 0.02 1.06 0.00 0.58 0.09 0.00 0.00 178.44 180.19 1jvr h VAL 88 N -0.19 1.15 0.00 1.22 2.07 -0.87 -1.35 116.25 118.28 1jvr h VAL 88 Ca -0.04 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jvr h VAL 88 Cb 1.09 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1jvr h VAL 88 CO 0.08 0.12 0.22 0.50 0.02 0.00 0.00 177.57 178.51 1jvr h LYS 89 N -0.17 0.00 -0.74 1.57 3.11 -1.10 1.07 116.57 120.31 1jvr h LYS 89 Ca 0.00 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.55 1jvr h LYS 89 Cb 0.19 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 31.24 1jvr h LYS 89 CO -0.00 0.00 0.33 -1.71 -2.81 0.00 0.00 179.45 175.26 1jvr n ASN 90 N -2.90 4.12 -0.08 4.20 2.85 -0.53 -4.21 115.26 118.72 1jvr n ASN 90 Ca -0.02 -3.41 -0.07 0.00 -0.11 0.00 0.00 54.58 50.96 1jvr n ASN 90 Cb 0.28 -0.75 -0.16 0.00 1.24 0.00 0.00 39.78 40.39 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 -0.63 0.68 0.18 1.20 -0.00 0.37 -4.51 117.38 114.68 1jvr n GLN 91 Ca 0.45 0.01 -0.10 0.00 -0.00 0.00 0.00 57.00 57.35 1jvr n GLN 91 Cb 1.41 -1.55 -0.06 0.00 -0.00 0.00 0.00 30.24 30.04 1jvr n GLN 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1jvr h VAL 92 N 0.00 0.24 -5.09 -0.39 2.07 -1.73 -3.50 116.25 107.86 1jvr h VAL 92 Ca -0.46 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1jvr h VAL 92 Cb 2.08 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1jvr h VAL 92 CO 0.03 0.06 -1.23 -0.24 0.02 0.00 0.00 177.57 176.21 1jvr n SER 93 N -5.13 -5.25 -2.76 0.57 2.88 -1.26 -4.73 113.62 97.93 1jvr n SER 93 Ca -0.08 1.42 -0.20 0.00 -1.33 0.00 0.00 58.87 58.67 1jvr n SER 93 Cb 0.25 -5.35 -0.07 0.00 -0.75 0.00 0.00 64.21 58.29 1jvr n SER 93 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jvr n PRO 94 N 1.07 2.22 -1.60 -1.46 -0.04 -1.26 -4.82 135.00 129.11 1jvr n PRO 94 Ca -0.16 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1jvr n PRO 94 Cb 0.24 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1jvr n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jvr n SER 95 N 3.38 -8.62 -1.41 3.54 3.41 -1.26 -4.89 113.62 107.78 1jvr n SER 95 Ca 0.47 1.63 0.17 0.00 -0.26 0.00 0.00 58.87 60.87 1jvr n SER 95 Cb 0.39 -5.04 -0.09 0.00 -0.26 0.00 0.00 64.21 59.21 1jvr n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvr n ALA 96 N -1.88 -3.68 0.18 7.33 0.00 -1.26 -4.53 120.51 116.66 1jvr n ALA 96 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 53.44 54.39 1jvr n ALA 96 Cb 0.28 -1.55 0.24 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.43 0.00 -6.43 0.00 0.13 -2.00 -3.44 132.00 118.83 1jvr h PRO 97 Ca -0.19 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.31 1jvr h PRO 97 Cb 1.31 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.20 1jvr h PRO 97 CO 0.07 0.40 -0.85 0.00 -0.23 0.00 0.00 178.00 177.39 1jvr s ALA 98 N -3.36 2.01 -0.38 -0.56 0.00 -1.26 -5.07 121.76 113.14 1jvr s ALA 98 Ca 0.02 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1jvr s ALA 98 Cb 0.10 -0.36 0.25 0.00 0.00 0.00 0.00 23.12 23.11 1jvr s ALA 98 CO 0.70 0.45 1.10 0.00 0.00 0.00 0.00 175.76 178.01 1jvr n ALA 99 N 1.47 -2.96 -1.26 0.00 0.00 -1.26 -4.98 120.51 111.52 1jvr n ALA 99 Ca -0.18 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 1jvr n ALA 99 Cb 0.53 -2.66 0.12 0.00 0.00 0.00 0.00 19.45 17.43 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 1.79 -1.38 -3.62 0.00 -0.04 -1.26 -5.07 135.00 125.41 1jvr n PRO 100 Ca 0.06 -0.99 -0.07 0.00 -0.04 0.00 0.00 63.50 62.46 1jvr n PRO 100 Cb 0.67 -0.78 -0.06 0.00 -0.04 0.00 0.00 33.50 33.30 1jvr n PRO 100 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jvr s VAL 101 N -2.27 0.00 -0.05 0.52 0.11 -1.26 -5.14 120.40 112.31 1jvr s VAL 101 Ca 0.38 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.13 1jvr s VAL 101 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1jvr s VAL 101 CO 0.28 0.00 1.22 -2.16 -3.33 0.00 0.00 175.10 171.10 1jvr s PRO 102 N -0.57 4.35 -0.74 1.54 0.04 -1.26 -4.98 135.00 133.37 1jvr s PRO 102 Ca 0.04 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1jvr s PRO 102 Cb -0.02 -3.55 0.18 0.00 0.04 0.00 0.00 34.50 31.14 1jvr s PRO 102 CO -0.06 -0.45 0.54 2.41 0.04 0.00 0.00 177.00 179.48 1jvr n THR 103 N 4.60 1.85 -2.38 1.26 -1.04 -1.26 -5.06 114.28 112.25 1jvr n THR 103 Ca 0.11 -4.91 -0.43 0.00 -2.04 0.00 0.00 64.05 56.78 1jvr n THR 103 Cb 0.46 -2.21 -0.02 0.00 -1.82 0.00 0.00 70.33 66.73 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 -1.48 3.91 0.47 -2.82 0.04 -1.26 -5.01 135.00 128.84 1jvr s PRO 104 Ca 0.25 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1jvr s PRO 104 Cb -0.04 -3.90 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1jvr s PRO 104 CO -0.16 -1.13 0.42 0.96 0.04 0.00 0.00 177.00 177.13 1jvr s ILE 105 N 4.46 2.33 0.54 0.56 -0.00 -1.26 -5.02 121.20 122.81 1jvr s ILE 105 Ca 0.58 -1.36 0.00 0.00 -0.00 0.00 0.00 60.65 59.87 1jvr s ILE 105 Cb -0.18 -2.68 0.00 0.00 -0.00 0.00 0.00 42.46 39.60 1jvr s ILE 105 CO 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 174.94 175.18 1jvr h PRO 107 N 0.07 0.28 -0.21 0.00 0.13 -2.02 -3.43 132.00 126.82 1jvr h PRO 107 Ca -0.01 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1jvr h PRO 107 Cb 0.91 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.96 1jvr h PRO 107 CO 0.00 0.96 -0.15 -2.37 -0.23 0.00 0.00 178.00 176.21 1jvr n THR 108 N -3.73 0.00 -3.31 1.56 5.66 -1.26 -5.13 114.28 108.07 1jvr n THR 108 Ca -0.04 -0.38 -0.08 0.00 -3.05 0.00 0.00 64.05 60.50 1jvr n THR 108 Cb 0.77 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 70.23 1jvr n THR 108 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1jvr s THR 109 N 0.79 -0.66 -0.36 1.09 2.01 -1.26 -5.01 115.64 112.24 1jvr s THR 109 Ca 0.25 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1jvr s THR 109 Cb 0.14 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.76 1jvr s THR 109 CO -0.10 -0.17 0.23 0.41 -0.69 0.00 0.00 174.62 174.31 1jvr n THR 110 N 5.37-11.67 -1.54 -0.82 -1.04 -1.26 -4.91 114.28 98.40 1jvr n THR 110 Ca -0.02 1.48 -0.29 0.00 -2.04 0.00 0.00 64.05 63.18 1jvr n THR 110 Cb 0.50 -7.07 0.11 0.00 -1.82 0.00 0.00 70.33 62.05 1jvr n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jvr s PRO 111 N -2.01 1.61 0.60 -2.82 0.04 -1.26 -5.03 135.00 126.14 1jvr s PRO 111 Ca 0.10 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1jvr s PRO 111 Cb -0.03 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1jvr s PRO 111 CO 0.78 -1.91 1.05 -1.25 0.04 0.00 0.00 177.00 175.71 1jvr s PRO 112 N -5.21 3.32 0.59 0.56 0.04 -1.26 -5.04 135.00 128.00 1jvr s PRO 112 Ca 0.62 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1jvr s PRO 112 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1jvr s PRO 112 CO 0.54 -0.80 1.05 -1.25 0.04 0.00 0.00 177.00 176.57 1jvr s PRO 113 N -4.26 3.35 -0.33 0.56 0.04 -1.26 -4.98 135.00 128.13 1jvr s PRO 113 Ca 0.62 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1jvr s PRO 113 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1jvr s PRO 113 CO 0.40 -0.78 1.36 -1.25 0.04 0.00 0.00 177.00 176.77 1jvr s PRO 114 N -4.17 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 128.68 1jvr s PRO 114 Ca 0.63 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1jvr s PRO 114 Cb -0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1jvr s PRO 114 CO 0.38 -1.27 1.37 -1.25 0.04 0.00 0.00 177.00 176.26 1jvr s PRO 115 N 4.45 3.80 -0.33 0.56 0.04 -1.26 -4.97 135.00 137.29 1jvr s PRO 115 Ca 0.59 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1jvr s PRO 115 Cb -0.16 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1jvr s PRO 115 CO 0.27 -1.28 1.37 -1.25 0.04 0.00 0.00 177.00 176.15 1jvr s PRO 116 N 4.46 3.79 0.00 0.56 0.04 -1.26 -4.95 135.00 137.64 1jvr s PRO 116 Ca 0.59 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1jvr s PRO 116 Cb -0.17 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1jvr s PRO 116 CO 0.27 -1.28 0.10 -0.35 0.04 0.00 0.00 177.00 175.77 1jvr n PRO 117 N 7.59 0.00 -0.11 0.56 -0.04 -1.26 -3.70 135.00 138.03 1jvr n PRO 117 Ca 0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 1jvr n PRO 117 Cb 0.47 -0.51 0.01 0.00 -0.04 0.00 0.00 33.50 33.42 1jvr n PRO 117 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jvr h SER 118 N 0.00 -0.68 -3.77 3.54 0.02 -1.96 -2.48 113.55 108.22 1jvr h SER 118 Ca 0.00 0.15 -0.50 0.00 -0.84 0.00 0.00 61.79 60.60 1jvr h SER 118 Cb 0.00 0.36 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1jvr h SER 118 CO 0.00 -0.23 0.46 -2.16 -1.14 0.00 0.00 176.83 173.76 1jvr s PRO 119 N -6.14 4.66 -1.22 3.45 0.04 -1.26 -3.54 135.00 131.00 1jvr s PRO 119 Ca -0.14 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 1jvr s PRO 119 Cb 0.14 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.63 1jvr s PRO 119 CO 0.70 0.23 0.38 -0.85 0.04 0.00 0.00 177.00 177.50 1jvr n GLU 120 N 1.34 -0.81 0.00 4.56 0.28 -1.26 -4.56 120.64 120.19 1jvr n GLU 120 Ca -0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1jvr n GLU 120 Cb 0.45 -3.04 0.00 0.00 1.43 0.00 0.00 31.44 30.28 1jvr n GLU 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jvr n ALA 121 N -2.81 -0.00 -3.63 -1.84 0.00 -0.94 -4.24 120.51 107.05 1jvr n ALA 121 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1jvr n ALA 121 Cb 0.29 0.45 -0.15 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.58 0.82 -0.97 0.00 -3.43 -1.26 -4.90 115.29 102.96 1jvr s HIS 122 Ca 0.00 -1.10 -0.30 0.00 -0.80 0.00 0.00 55.06 52.86 1jvr s HIS 122 Cb 0.00 -1.15 -0.22 0.00 -1.43 0.00 0.00 32.58 29.78 1jvr s HIS 122 CO 0.00 -0.80 2.61 1.33 -2.00 0.00 0.00 174.74 175.89 1jvr n VAL 123 N 5.11 0.00 -2.01 -5.38 0.24 -1.26 -4.84 118.33 110.19 1jvr n VAL 123 Ca -0.05 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 1jvr n VAL 123 Cb 0.43 -0.48 0.01 0.00 -1.47 0.00 0.00 33.84 32.33 1jvr n VAL 123 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1jvr s PRO 124 N 8.71 3.32 0.81 7.34 0.04 -1.26 -5.05 135.00 148.92 1jvr s PRO 124 Ca 1.32 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.38 1jvr s PRO 124 Cb -1.22 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 31.36 1jvr s PRO 124 CO 0.48 -0.80 1.10 -1.25 0.04 0.00 0.00 177.00 176.57 1jvr s PRO 125 N -4.23 2.00 -0.07 0.56 0.04 -1.26 -5.02 135.00 127.02 1jvr s PRO 125 Ca 0.62 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1jvr s PRO 125 Cb -0.15 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1jvr s PRO 125 CO 0.39 -1.67 0.58 -1.00 0.04 0.00 0.00 177.00 175.34 1jvr h PRO 126 N -1.12 -0.23 -1.49 0.56 0.13 -2.04 -3.50 132.00 124.30 1jvr h PRO 126 Ca -0.47 0.02 0.30 0.00 -0.87 0.00 0.00 66.00 64.97 1jvr h PRO 126 Cb 1.27 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1jvr h PRO 126 CO 0.60 0.08 0.81 1.52 -0.23 0.00 0.00 178.00 180.77 1jvr s TYR 127 N -2.83 -0.07 -0.49 1.56 1.13 -1.26 -5.10 117.35 110.29 1jvr s TYR 127 Ca -0.09 -0.02 -0.45 0.00 -1.41 0.00 0.00 57.07 55.10 1jvr s TYR 127 Cb 0.00 0.54 -0.19 0.00 -1.10 0.00 0.00 41.96 41.21 1jvr s TYR 127 CO 0.31 -0.28 1.97 1.55 -2.51 0.00 0.00 175.55 176.60 1jvr n VAL 128 N -0.37 0.01 -0.04 -3.49 3.14 -1.26 -4.82 118.33 111.50 1jvr n VAL 128 Ca -0.06 -0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.23 1jvr n VAL 128 Cb 0.61 -0.56 -0.07 0.00 -1.06 0.00 0.00 33.84 32.77 1jvr n VAL 128 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1jvr h GLU 129 N 7.88 -0.04 0.00 1.45 4.57 -2.01 -3.47 114.58 122.96 1jvr h GLU 129 Ca -0.22 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1jvr h GLU 129 Cb 1.40 0.01 0.04 0.00 -0.16 0.00 0.00 28.75 30.04 1jvr h GLU 129 CO 1.05 0.48 0.06 -0.35 -1.18 0.00 0.00 179.01 179.06 1jvr n PRO 130 N -4.73 -0.86 0.00 0.92 -0.04 -1.26 -4.90 135.00 124.13 1jvr n PRO 130 Ca -0.06 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1jvr n PRO 130 Cb 0.26 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 1jvr n PRO 130 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jvr n THR 131 N -2.68 0.00 -1.62 0.52 5.66 -1.26 -4.95 114.28 109.95 1jvr n THR 131 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1jvr n THR 131 Cb 0.12 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1jvr n THR 131 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1jvr n THR 132 N -0.01 -3.26 -0.08 1.09 -1.04 -1.26 -4.51 114.28 105.21 1jvr n THR 132 Ca 0.00 1.60 0.07 0.00 -2.04 0.00 0.00 64.05 63.68 1jvr n THR 132 Cb 0.00 -2.60 0.42 0.00 -1.82 0.00 0.00 70.33 66.33 1jvr n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jvr h THR 133 N 0.33 1.03 0.00 12.58 1.03 -1.94 -3.45 112.91 122.50 1jvr h THR 133 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1jvr h THR 133 Cb 0.89 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1jvr h THR 133 CO 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 175.52 175.62 1jvr n GLN 134 N -4.47 0.00 0.03 0.00 1.13 -1.26 -2.10 117.38 110.71 1jvr n GLN 134 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1jvr n GLN 134 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.54 1jvr n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62