#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvz h SER 3 N 0.00 -0.08 -0.67 0.00 0.02 -1.98 0.62 113.55 111.46 3jvz h SER 3 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3jvz h SER 3 Cb 0.00 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3jvz h SER 3 CO 0.00 -0.05 0.44 0.11 -1.14 0.00 0.00 176.83 176.20 3jvz h LYS 4 N -0.08 0.43 0.46 3.45 1.57 -2.03 0.27 116.57 120.65 3jvz h LYS 4 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3jvz h LYS 4 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3jvz h LYS 4 CO 0.01 0.29 -0.22 -0.09 -0.57 0.00 0.00 179.45 178.86 3jvz h ARG 5 N 0.44 -0.60 0.53 3.15 9.65 -1.93 0.84 114.38 126.47 3jvz h ARG 5 Ca 0.31 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.21 3jvz h ARG 5 Cb 0.62 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.35 3jvz h ARG 5 CO -0.09 -0.36 -0.26 0.82 2.80 0.00 0.00 179.97 182.88 3jvz h ILE 6 N -0.70 0.47 -0.16 1.20 2.04 0.16 0.55 117.51 121.07 3jvz h ILE 6 Ca -0.06 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3jvz h ILE 6 Cb 0.52 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 3jvz h ILE 6 CO 0.10 0.00 -0.51 0.45 0.00 0.00 0.00 178.15 178.20 3jvz h HIS 7 N -0.73 -1.51 -0.72 1.37 3.86 -0.52 0.20 115.15 117.10 3jvz h HIS 7 Ca -0.07 0.06 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3jvz h HIS 7 Cb 0.55 0.68 -0.06 0.00 1.06 0.00 0.00 27.41 29.65 3jvz h HIS 7 CO -0.04 -0.53 0.40 -0.22 0.86 0.00 0.00 177.93 178.41 3jvz h LYS 8 N -0.54 0.70 0.00 2.45 3.64 -0.78 0.15 116.57 122.19 3jvz h LYS 8 Ca 0.05 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3jvz h LYS 8 Cb 0.66 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3jvz h LYS 8 CO -0.45 0.46 -0.05 1.49 -2.27 0.00 0.00 179.45 178.63 3jvz h GLU 9 N 0.72 0.00 0.09 1.90 4.81 0.08 -1.73 114.58 120.45 3jvz h GLU 9 Ca 0.33 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.36 3jvz h GLU 9 Cb 0.23 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.63 3jvz h GLU 9 CO -0.20 0.05 -0.85 1.25 -0.73 0.00 0.00 179.01 178.54 3jvz h LEU 10 N 0.00 0.59 -1.00 1.64 5.85 0.21 -3.17 115.31 119.43 3jvz h LEU 10 Ca -0.00 -0.86 -0.07 0.00 0.84 0.00 0.00 57.88 57.79 3jvz h LEU 10 Cb 0.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3jvz h LEU 10 CO 0.01 1.39 -0.04 0.78 -0.34 0.00 0.00 178.44 180.23 3jvz h ASN 11 N -0.13 0.65 0.27 1.25 2.35 -0.81 -1.66 115.58 117.49 3jvz h ASN 11 Ca -0.13 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3jvz h ASN 11 Cb 1.60 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.80 3jvz h ASN 11 CO 0.16 0.74 -0.01 0.44 -1.65 0.00 0.00 177.43 177.11 3jvz h ASP 12 N 0.63 0.00 -0.07 5.81 3.32 -1.37 -1.63 116.42 123.11 3jvz h ASP 12 Ca 0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3jvz h ASP 12 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3jvz h ASP 12 CO 0.02 0.01 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.23 3jvz h LEU 13 N 0.00 0.34 -3.58 1.55 3.38 -1.27 -2.82 115.31 112.91 3jvz h LEU 13 Ca -0.00 -0.63 -0.21 0.00 0.09 0.00 0.00 57.88 57.13 3jvz h LEU 13 Cb 0.15 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 3jvz h LEU 13 CO 0.00 0.91 0.10 0.00 0.09 0.00 0.00 178.44 179.55 3jvz n ALA 14 N -2.49 5.20 0.00 1.53 0.00 -0.63 -1.15 120.51 122.98 3jvz n ALA 14 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3jvz n ALA 14 Cb 0.46 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3jvz n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3jvz n ARG 15 N 1.27 0.35 -2.91 0.00 3.00 -1.08 -4.91 116.66 112.40 3jvz n ARG 15 Ca 0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.97 3jvz n ARG 15 Cb 0.62 -0.68 0.02 0.00 0.00 0.00 0.00 32.46 32.42 3jvz n ARG 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3jvz n ASP 16 N -1.65 -1.58 -4.42 6.15 8.00 -1.12 -5.10 116.55 116.83 3jvz n ASP 16 Ca 0.00 -3.20 -0.59 0.00 0.71 0.00 0.00 54.79 51.71 3jvz n ASP 16 Cb 0.18 0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.13 3jvz n ASP 16 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3jvz n PRO 17 N 1.16 0.37 -1.60 -0.24 -0.02 -0.30 -4.75 135.00 129.62 3jvz n PRO 17 Ca 0.13 0.11 -0.51 0.00 -2.02 0.00 0.00 63.50 61.21 3jvz n PRO 17 Cb 0.62 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3jvz n PRO 17 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jvz n PRO 18 N 6.93 1.52 -1.62 0.52 -0.04 -1.26 -4.82 135.00 136.24 3jvz n PRO 18 Ca 0.45 0.51 -0.45 0.00 -0.04 0.00 0.00 63.50 63.98 3jvz n PRO 18 Cb 0.04 -2.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.01 3jvz n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jvz n ALA 19 N 7.69 0.10 -1.00 0.55 0.00 -1.26 -2.50 120.51 124.09 3jvz n ALA 19 Ca 0.31 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.15 3jvz n ALA 19 Cb 0.24 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3jvz n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jvz n GLN 20 N 1.05 -0.00 -3.73 0.00 1.13 -1.26 -4.95 117.38 109.61 3jvz n GLN 20 Ca 0.10 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 3jvz n GLN 20 Cb 0.31 -2.59 -0.04 0.00 0.11 0.00 0.00 30.24 28.03 3jvz n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jvz s SER 22 N -2.87 -1.07 0.15 0.00 0.15 -1.01 -4.47 113.70 104.58 3jvz s SER 22 Ca 0.09 1.11 0.07 0.00 0.70 0.00 0.00 55.95 57.93 3jvz s SER 22 Cb -0.01 2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 66.33 3jvz s SER 22 CO -0.03 -0.25 -0.05 0.00 1.20 0.00 0.00 173.24 174.12 3jvz s ALA 23 N 2.83 3.09 -0.24 5.45 0.00 -1.26 -1.47 121.76 130.15 3jvz s ALA 23 Ca 0.08 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 3jvz s ALA 23 Cb -0.14 -0.92 0.16 0.00 0.00 0.00 0.00 23.12 22.22 3jvz s ALA 23 CO -0.19 0.54 1.19 0.20 0.00 0.00 0.00 175.76 177.49 3jvz s GLY 24 N -2.68 -0.04 0.23 0.00 0.00 -0.95 -4.96 107.32 98.91 3jvz s GLY 24 Ca 0.25 2.63 -0.30 0.00 0.00 0.00 0.00 44.72 47.29 3jvz s GLY 24 CO 0.17 1.34 1.46 2.56 0.00 0.00 0.00 173.10 178.63 3jvz s PRO 25 N -0.67 4.26 -0.12 2.90 0.04 -1.26 -1.80 135.00 138.35 3jvz s PRO 25 Ca 0.04 2.30 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 3jvz s PRO 25 Cb -0.02 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 3jvz s PRO 25 CO -0.05 -0.46 -0.04 0.08 0.04 0.00 0.00 177.00 176.57 3jvz s VAL 26 N 0.27 3.90 0.00 -0.36 1.01 -1.20 -4.91 120.40 119.12 3jvz s VAL 26 Ca 0.62 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3jvz s VAL 26 Cb -0.42 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3jvz s VAL 26 CO 0.40 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.66 3jvz n GLY 27 N 2.91 -0.55 0.00 4.51 0.00 -1.26 -4.35 105.19 106.45 3jvz n GLY 27 Ca -0.18 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.41 3jvz n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jvz n ASP 28 N 0.43 0.74 -4.73 1.61 8.00 -1.26 -4.97 116.55 116.37 3jvz n ASP 28 Ca 0.00 -0.61 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 3jvz n ASP 28 Cb 0.00 1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 3jvz n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3jvz s ASP 29 N -1.96 6.61 0.00 -2.24 -1.08 -1.26 -4.89 116.67 111.84 3jvz s ASP 29 Ca 0.02 2.63 0.22 0.00 -0.52 0.00 0.00 52.55 54.90 3jvz s ASP 29 Cb 0.06 -2.60 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 3jvz s ASP 29 CO 0.35 -0.79 1.47 0.23 0.52 0.00 0.00 175.17 176.95 3jvz n MET 30 N 3.50 2.54 -0.04 4.34 2.81 -1.26 -4.03 117.12 124.99 3jvz n MET 30 Ca 0.12 -2.37 0.04 0.00 -1.81 0.00 0.00 57.70 53.68 3jvz n MET 30 Cb 0.39 -1.53 0.05 0.00 -0.71 0.00 0.00 33.22 31.43 3jvz n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3jvz n PHE 31 N 1.48 0.09 -3.76 2.03 3.72 -1.26 -4.88 117.46 114.89 3jvz n PHE 31 Ca 0.21 -0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 3jvz n PHE 31 Cb 0.59 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.96 3jvz n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3jvz s HIS 32 N -0.74 1.55 0.40 1.38 3.76 -1.26 -0.55 115.29 119.84 3jvz s HIS 32 Ca 0.11 -1.44 0.08 0.00 -0.15 0.00 0.00 55.06 53.66 3jvz s HIS 32 Cb 0.07 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 3jvz s HIS 32 CO 0.10 -0.78 0.22 -1.58 -0.85 0.00 0.00 174.74 171.85 3jvz s TRP 33 N 1.67 2.65 -0.02 1.40 0.52 0.05 -3.21 118.94 122.02 3jvz s TRP 33 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 55.64 3jvz s TRP 33 Cb -0.17 -1.94 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 3jvz s TRP 33 CO -0.17 0.15 0.02 1.14 0.02 0.00 0.00 176.95 178.10 3jvz s GLN 34 N -3.95 0.00 0.23 4.98 -2.07 -0.75 -1.68 119.66 116.43 3jvz s GLN 34 Ca 0.42 0.14 0.10 0.00 -1.82 0.00 0.00 55.36 54.21 3jvz s GLN 34 Cb 0.01 -0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 31.65 3jvz s GLN 34 CO 0.24 -0.14 -0.19 0.00 -1.32 0.00 0.00 175.29 173.88 3jvz s ALA 35 N 0.88 2.43 0.15 2.60 0.00 -0.40 -2.24 121.76 125.18 3jvz s ALA 35 Ca -0.08 -1.72 0.10 0.00 0.00 0.00 0.00 51.96 50.26 3jvz s ALA 35 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3jvz s ALA 35 CO -0.02 0.26 -0.21 0.95 0.00 0.00 0.00 175.76 176.73 3jvz s THR 36 N -2.37 2.61 -0.09 0.00 -4.23 -0.54 0.13 115.64 111.15 3jvz s THR 36 Ca 0.24 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3jvz s THR 36 Cb -0.05 -2.22 0.05 0.00 1.34 0.00 0.00 72.50 71.63 3jvz s THR 36 CO 0.11 0.01 0.18 -0.63 -0.54 0.00 0.00 174.62 173.75 3jvz s ILE 37 N -1.34 -0.27 -0.22 2.99 1.01 0.23 -2.41 121.20 121.20 3jvz s ILE 37 Ca 0.19 0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 3jvz s ILE 37 Cb -0.09 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 3jvz s ILE 37 CO 0.10 0.13 0.72 -0.04 0.00 0.00 0.00 174.94 175.85 3jvz s MET 38 N 2.19 4.20 -0.50 2.79 -1.94 -0.52 -0.95 119.30 124.57 3jvz s MET 38 Ca 0.01 0.77 -0.46 0.00 -1.71 0.00 0.00 55.69 54.30 3jvz s MET 38 Cb -0.12 -3.61 -0.20 0.00 2.01 0.00 0.00 34.83 32.91 3jvz s MET 38 CO -0.06 -0.37 1.79 0.41 -0.01 0.00 0.00 175.02 176.77 3jvz n GLY 39 N 3.80 0.07 3.43 -0.03 0.00 -1.19 -4.78 105.19 106.50 3jvz n GLY 39 Ca 0.02 1.05 -0.39 0.00 0.00 0.00 0.00 46.02 46.69 3jvz n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jvz n PRO 40 N 5.22 0.47 -2.21 1.61 -0.02 -1.26 -4.43 135.00 134.37 3jvz n PRO 40 Ca 0.39 0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 3jvz n PRO 40 Cb -0.05 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3jvz n PRO 40 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3jvz s ASN 41 N -1.08 5.73 -1.26 2.55 3.04 -1.26 -3.39 114.94 119.27 3jvz s ASN 41 Ca 0.65 2.25 -0.03 0.00 0.04 0.00 0.00 52.86 55.77 3jvz s ASN 41 Cb -0.50 -2.59 0.02 0.00 -1.54 0.00 0.00 41.25 36.64 3jvz s ASN 41 CO 0.57 -1.22 0.24 0.47 -3.04 0.00 0.00 177.10 174.12 3jvz n ASP 42 N -1.16 -4.38 -4.47 -4.21 8.00 -1.26 -4.96 116.55 104.12 3jvz n ASP 42 Ca 0.11 -0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.30 3jvz n ASP 42 Cb 0.50 -3.65 -0.10 0.00 -0.02 0.00 0.00 41.12 37.85 3jvz n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3jvz s SER 43 N -2.34 3.58 0.59 -2.24 1.04 -1.22 -5.03 113.70 108.08 3jvz s SER 43 Ca 0.16 -1.01 0.29 0.00 0.48 0.00 0.00 55.95 55.87 3jvz s SER 43 Cb -0.08 -0.30 1.68 0.00 0.10 0.00 0.00 66.02 67.42 3jvz s SER 43 CO 0.20 0.05 2.13 1.55 0.98 0.00 0.00 173.24 178.15 3jvz h PRO 44 N 2.38 0.00 -0.49 4.02 0.13 -1.90 -0.68 132.00 135.46 3jvz h PRO 44 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3jvz h PRO 44 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3jvz h PRO 44 CO 0.59 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.02 3jvz n TYR 45 N -3.82 0.10 -1.52 1.56 0.53 -1.26 -4.01 117.16 108.73 3jvz n TYR 45 Ca 0.01 -0.04 -0.36 0.00 -1.02 0.00 0.00 57.90 56.48 3jvz n TYR 45 Cb 0.28 -0.06 0.08 0.00 -1.03 0.00 0.00 39.34 38.61 3jvz n TYR 45 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 3jvz n GLN 46 N -0.17 0.77 0.00 -0.72 7.27 -0.27 -3.24 117.38 121.04 3jvz n GLN 46 Ca 0.02 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3jvz n GLN 46 Cb 0.17 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.46 3jvz n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3jvz n GLY 47 N 1.00 1.43 3.09 1.69 0.00 -1.26 -4.97 105.19 106.16 3jvz n GLY 47 Ca 0.14 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3jvz n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvz n GLY 48 N 0.00 -2.77 2.94 -0.02 0.00 -1.20 -4.92 105.19 99.22 3jvz n GLY 48 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 3jvz n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jvz s VAL 49 N -2.73 0.06 -0.04 1.61 1.01 -1.13 -3.15 120.40 116.04 3jvz s VAL 49 Ca 0.63 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3jvz s VAL 49 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3jvz s VAL 49 CO 0.48 -0.28 -0.14 -0.36 0.00 0.00 0.00 175.10 174.80 3jvz s PHE 50 N -0.83 1.41 0.10 5.22 0.08 -0.13 -4.53 117.98 119.31 3jvz s PHE 50 Ca -0.09 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.53 3jvz s PHE 50 Cb -0.06 -0.97 -0.05 0.00 -0.57 0.00 0.00 43.02 41.37 3jvz s PHE 50 CO -0.00 -0.15 0.31 -0.06 -0.10 0.00 0.00 175.22 175.21 3jvz s PHE 51 N 0.15 3.50 0.18 0.36 2.99 -1.26 -0.60 117.98 123.29 3jvz s PHE 51 Ca -0.04 0.44 -0.02 0.00 0.00 0.00 0.00 56.93 57.31 3jvz s PHE 51 Cb -0.11 -1.91 -0.04 0.00 0.00 0.00 0.00 43.02 40.96 3jvz s PHE 51 CO 0.02 0.50 0.14 -0.51 -0.00 0.00 0.00 175.22 175.36 3jvz s LEU 52 N -2.55 1.29 -0.26 -0.37 1.02 0.36 -1.04 118.68 117.13 3jvz s LEU 52 Ca 0.38 -1.27 0.02 0.00 0.02 0.00 0.00 54.13 53.27 3jvz s LEU 52 Cb -0.13 0.48 0.07 0.00 0.02 0.00 0.00 46.19 46.64 3jvz s LEU 52 CO 0.25 -0.82 -0.05 -0.89 0.02 0.00 0.00 176.35 174.86 3jvz s THR 53 N -4.10 1.74 -0.50 5.49 2.01 0.45 -1.28 115.64 119.45 3jvz s THR 53 Ca 0.32 -1.46 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 3jvz s THR 53 Cb 0.06 -2.01 0.10 0.00 0.01 0.00 0.00 72.50 70.66 3jvz s THR 53 CO 0.08 -0.16 0.43 -0.63 -0.69 0.00 0.00 174.62 173.65 3jvz s ILE 54 N 1.28 5.21 -0.34 1.82 1.01 -0.68 -2.18 121.20 127.32 3jvz s ILE 54 Ca -0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 60.65 59.27 3jvz s ILE 54 Cb -0.19 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.09 3jvz s ILE 54 CO -0.07 -0.69 0.17 -2.28 0.00 0.00 0.00 174.94 172.07 3jvz s HIS 55 N 1.62 3.21 -0.12 3.97 2.46 -0.12 -0.77 115.29 125.54 3jvz s HIS 55 Ca 0.04 -0.79 -0.23 0.00 0.47 0.00 0.00 55.06 54.55 3jvz s HIS 55 Cb -0.27 -2.39 -0.03 0.00 -0.13 0.00 0.00 32.58 29.77 3jvz s HIS 55 CO 0.05 -0.56 0.70 -0.06 -2.47 0.00 0.00 174.74 172.40 3jvz s PHE 56 N 1.58 3.49 0.59 3.88 0.40 0.29 -1.25 117.98 126.96 3jvz s PHE 56 Ca 0.03 1.15 -0.09 0.00 -0.60 0.00 0.00 56.93 57.42 3jvz s PHE 56 Cb -0.18 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 3jvz s PHE 56 CO 0.06 -0.04 0.97 -1.25 0.70 0.00 0.00 175.22 175.66 3jvz s PRO 57 N 1.35 3.49 0.47 0.24 0.04 -1.26 -4.82 135.00 134.51 3jvz s PRO 57 Ca 0.35 0.56 0.31 0.00 0.04 0.00 0.00 61.00 62.26 3jvz s PRO 57 Cb -0.17 -2.15 1.68 0.00 0.04 0.00 0.00 34.50 33.90 3jvz s PRO 57 CO 0.15 -0.53 1.94 1.79 0.04 0.00 0.00 177.00 180.39 3jvz h THR 58 N -0.21 0.00 -0.01 1.26 1.35 -1.98 -0.88 112.91 112.44 3jvz h THR 58 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3jvz h THR 58 Cb 1.20 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3jvz h THR 58 CO 0.62 0.00 -0.04 0.47 -0.25 0.00 0.00 175.52 176.32 3jvz n ASP 59 N -2.59 1.01 -4.77 5.36 10.43 -1.26 -4.88 116.55 119.84 3jvz n ASP 59 Ca -0.02 -1.22 -0.41 0.00 2.57 0.00 0.00 54.79 55.71 3jvz n ASP 59 Cb 0.06 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.02 3jvz n ASP 59 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3jvz s TYR 60 N -2.11 2.73 -0.94 1.24 5.04 -0.34 0.10 117.35 123.08 3jvz s TYR 60 Ca 0.38 1.13 0.14 0.00 -2.44 0.00 0.00 57.07 56.27 3jvz s TYR 60 Cb 0.21 -3.96 0.63 0.00 0.35 0.00 0.00 41.96 39.19 3jvz s TYR 60 CO 0.38 -2.89 1.51 -0.35 -1.34 0.00 0.00 175.55 172.86 3jvz n PRO 61 N 0.98 3.61 0.20 4.97 -0.04 -1.26 -4.31 135.00 139.15 3jvz n PRO 61 Ca 0.03 -2.47 0.08 0.00 -0.04 0.00 0.00 63.50 61.10 3jvz n PRO 61 Cb 0.39 -1.91 0.23 0.00 -0.04 0.00 0.00 33.50 32.17 3jvz n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3jvz h PHE 62 N 3.40 0.00 -4.44 0.54 -1.00 -0.72 -3.36 116.94 111.37 3jvz h PHE 62 Ca 0.00 0.00 -0.70 0.00 2.81 0.00 0.00 57.97 60.08 3jvz h PHE 62 Cb 1.42 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 40.70 3jvz h PHE 62 CO 0.74 0.24 -0.86 0.15 -1.61 0.00 0.00 178.31 176.97 3jvz s LYS 63 N -3.26 2.21 0.71 1.51 -0.14 -1.02 -4.93 119.74 114.82 3jvz s LYS 63 Ca 0.04 -0.87 -0.15 0.00 -1.36 0.00 0.00 55.97 53.63 3jvz s LYS 63 Cb 0.08 -2.13 0.03 0.00 -1.68 0.00 0.00 37.83 34.12 3jvz s LYS 63 CO 0.68 0.58 1.16 -1.25 -0.76 0.00 0.00 175.35 175.76 3jvz s PRO 64 N -0.67 2.36 0.55 -1.68 0.04 -1.26 -4.21 135.00 130.13 3jvz s PRO 64 Ca 0.11 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 3jvz s PRO 64 Cb -0.10 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3jvz s PRO 64 CO -0.00 -1.63 1.01 -1.25 0.04 0.00 0.00 177.00 175.17 3jvz s PRO 65 N -4.02 3.72 -0.32 0.56 0.04 -1.26 -4.74 135.00 128.98 3jvz s PRO 65 Ca 0.71 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 3jvz s PRO 65 Cb -0.25 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3jvz s PRO 65 CO 0.44 -0.46 0.49 0.15 0.04 0.00 0.00 177.00 177.66 3jvz s LYS 66 N -4.15 3.77 -0.12 4.56 1.02 -0.38 -4.95 119.74 119.49 3jvz s LYS 66 Ca 0.60 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.59 3jvz s LYS 66 Cb -0.12 -3.75 -0.00 0.00 -0.52 0.00 0.00 37.83 33.44 3jvz s LYS 66 CO 0.35 -0.53 -0.21 0.08 -0.92 0.00 0.00 175.35 174.11 3jvz s VAL 67 N 2.33 2.26 0.02 3.17 1.01 -1.26 -0.95 120.40 126.99 3jvz s VAL 67 Ca 0.19 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3jvz s VAL 67 Cb -0.16 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3jvz s VAL 67 CO 0.12 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.76 3jvz s ALA 68 N 0.50 0.08 0.39 5.51 0.00 -0.92 -4.35 121.76 122.96 3jvz s ALA 68 Ca -0.14 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 3jvz s ALA 68 Cb -0.17 0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 3jvz s ALA 68 CO 0.05 -0.18 0.99 -0.06 0.00 0.00 0.00 175.76 176.57 3jvz s PHE 69 N -1.61 3.39 -0.14 0.00 0.08 0.34 -0.41 117.98 119.63 3jvz s PHE 69 Ca -0.14 1.68 -0.02 0.00 0.12 0.00 0.00 56.93 58.56 3jvz s PHE 69 Cb -0.09 -3.00 -0.08 0.00 -0.57 0.00 0.00 43.02 39.29 3jvz s PHE 69 CO -0.01 -0.27 -0.15 2.41 -0.10 0.00 0.00 175.22 177.10 3jvz n THR 70 N -0.05 0.79 -2.63 0.64 -1.04 -0.21 -4.06 114.28 107.72 3jvz n THR 70 Ca 0.05 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 3jvz n THR 70 Cb 0.51 -1.27 -0.04 0.00 -1.82 0.00 0.00 70.33 67.71 3jvz n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3jvz s THR 71 N -2.27 4.34 0.69 12.58 2.01 -1.19 -4.98 115.64 126.82 3jvz s THR 71 Ca -0.19 1.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.50 3jvz s THR 71 Cb 0.06 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.39 3jvz s THR 71 CO 0.29 0.25 1.27 -0.13 -0.69 0.00 0.00 174.62 175.60 3jvz s ARG 72 N 0.24 2.30 -0.27 4.92 1.81 -1.26 -4.87 118.95 121.82 3jvz s ARG 72 Ca 0.50 1.97 -0.23 0.00 -1.72 0.00 0.00 55.73 56.24 3jvz s ARG 72 Cb -0.25 -1.83 0.08 0.00 -0.45 0.00 0.00 34.95 32.50 3jvz s ARG 72 CO 0.31 -1.76 0.79 -1.50 -0.68 0.00 0.00 175.30 172.45 3jvz s ILE 73 N -1.62 0.00 -0.72 1.52 2.07 -1.26 -4.69 121.20 116.49 3jvz s ILE 73 Ca 0.80 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.86 3jvz s ILE 73 Cb -0.35 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.39 3jvz s ILE 73 CO 0.43 0.00 0.79 -0.47 -1.91 0.00 0.00 174.94 173.77 3jvz s TYR 74 N 0.58 3.25 0.02 3.50 6.14 -1.26 -4.86 117.35 124.72 3jvz s TYR 74 Ca -0.01 -1.36 -0.03 0.00 0.64 0.00 0.00 57.07 56.31 3jvz s TYR 74 Cb -0.05 -4.00 -0.01 0.00 0.42 0.00 0.00 41.96 38.32 3jvz s TYR 74 CO -0.04 -1.23 0.04 -1.58 0.64 0.00 0.00 175.55 173.38 3jvz s HIS 75 N 1.91 0.21 0.40 4.97 2.46 -1.26 -4.71 115.29 119.27 3jvz s HIS 75 Ca 0.17 -0.46 0.12 0.00 0.47 0.00 0.00 55.06 55.36 3jvz s HIS 75 Cb -0.17 -0.16 0.83 0.00 -0.13 0.00 0.00 32.58 32.95 3jvz s HIS 75 CO -0.01 -0.26 1.90 -1.35 -2.47 0.00 0.00 174.74 172.55 3jvz h PRO 76 N 4.27 0.07 -0.31 2.88 0.11 -1.90 -3.23 132.00 133.89 3jvz h PRO 76 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3jvz h PRO 76 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3jvz h PRO 76 CO 0.44 0.31 0.00 0.09 -0.21 0.00 0.00 178.00 178.64 3jvz n ASN 77 N -4.22 3.39 -3.84 -2.05 4.13 -1.26 -1.40 115.26 110.00 3jvz n ASN 77 Ca -0.02 -2.46 -0.25 0.00 1.68 0.00 0.00 54.58 53.54 3jvz n ASN 77 Cb 0.31 -0.38 -0.17 0.00 -1.54 0.00 0.00 39.78 38.01 3jvz n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jvz s ILE 78 N -1.83 0.70 0.31 2.41 1.01 -1.22 -1.87 121.20 120.71 3jvz s ILE 78 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 3jvz s ILE 78 Cb 0.22 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.98 3jvz s ILE 78 CO 0.13 0.31 0.43 -0.46 0.00 0.00 0.00 174.94 175.34 3jvz n ASN 79 N 4.96 0.52 0.09 3.58 0.23 -0.90 -4.32 115.26 119.41 3jvz n ASN 79 Ca -0.11 -1.45 0.07 0.00 -0.53 0.00 0.00 54.58 52.56 3jvz n ASN 79 Cb 0.50 -0.28 0.36 0.00 -2.08 0.00 0.00 39.78 38.28 3jvz n ASN 79 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jvz n SER 80 N -3.00 0.34 0.02 0.53 3.41 -1.26 -0.20 113.62 113.47 3jvz n SER 80 Ca 0.07 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 3jvz n SER 80 Cb 0.24 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3jvz n SER 80 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jvz n ASN 81 N -1.94 0.63 0.00 4.04 3.02 -1.26 -4.92 115.26 114.83 3jvz n ASN 81 Ca -0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3jvz n ASN 81 Cb 0.06 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3jvz n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jvz n GLY 82 N 1.41 0.60 3.76 7.41 0.00 0.72 -4.58 105.19 114.51 3jvz n GLY 82 Ca 0.03 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 3jvz n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jvz s SER 83 N -2.58 7.21 -0.20 1.61 0.01 -1.26 0.13 113.70 118.62 3jvz s SER 83 Ca 0.00 2.30 -0.02 0.00 1.31 0.00 0.00 55.95 59.55 3jvz s SER 83 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3jvz s SER 83 CO 0.00 -0.19 -0.10 -0.63 0.41 0.00 0.00 173.24 172.73 3jvz s ILE 84 N -1.17 2.92 -0.82 1.44 1.01 -1.26 -2.12 121.20 121.20 3jvz s ILE 84 Ca 0.45 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 3jvz s ILE 84 Cb -0.32 -2.29 0.10 0.00 0.01 0.00 0.00 42.46 39.95 3jvz s ILE 84 CO 0.42 0.47 1.08 -0.55 0.00 0.00 0.00 174.94 176.36 3jvz s SER 85 N 1.32 6.42 -0.04 3.58 0.15 -0.78 -4.94 113.70 119.40 3jvz s SER 85 Ca 0.04 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.16 3jvz s SER 85 Cb -0.14 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 3jvz s SER 85 CO -0.06 -1.26 -0.02 -0.22 1.20 0.00 0.00 173.24 172.88 3jvz s LEU 86 N 3.46 1.16 0.30 3.45 2.96 -1.26 -4.96 118.68 123.79 3jvz s LEU 86 Ca 0.29 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3jvz s LEU 86 Cb -0.10 -0.38 0.51 0.00 0.50 0.00 0.00 46.19 46.72 3jvz s LEU 86 CO -0.01 -0.09 1.92 -2.24 -1.32 0.00 0.00 176.35 174.61 3jvz h ASP 87 N 7.38 0.92 0.73 3.68 2.03 -1.98 -2.12 116.42 127.06 3jvz h ASP 87 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3jvz h ASP 87 Cb 1.14 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 3jvz h ASP 87 CO 0.44 0.60 0.00 2.30 -1.03 0.00 0.00 179.24 181.55 3jvz n ILE 88 N -4.48 0.83 0.15 4.15 -5.35 -1.26 -0.79 119.36 112.62 3jvz n ILE 88 Ca 0.13 0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.89 3jvz n ILE 88 Cb 0.17 -1.15 0.05 0.00 -1.74 0.00 0.00 39.64 36.97 3jvz n ILE 88 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jvz h LEU 89 N 0.00 0.00 0.00 7.28 3.38 -1.73 -3.23 115.31 121.01 3jvz h LEU 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jvz h LEU 89 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3jvz h LEU 89 CO 0.00 0.36 0.00 0.54 0.09 0.00 0.00 178.44 179.43 3jvz n ARG 90 N -3.14 0.00 -0.16 1.13 1.74 -0.68 -4.67 116.66 110.88 3jvz n ARG 90 Ca 0.02 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 3jvz n ARG 90 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.12 3jvz n ARG 90 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3jvz h SER 91 N 0.00 0.71 -0.76 0.55 0.02 -1.69 -3.24 113.55 109.13 3jvz h SER 91 Ca 0.00 -0.24 -0.28 0.00 -0.84 0.00 0.00 61.79 60.43 3jvz h SER 91 Cb 0.00 -0.19 -0.17 0.00 0.14 0.00 0.00 62.40 62.19 3jvz h SER 91 CO 0.00 0.76 0.36 0.00 -1.14 0.00 0.00 176.83 176.81 3jvz n GLN 92 N -4.49 3.13 -2.54 3.45 1.13 0.03 -4.98 117.38 113.12 3jvz n GLN 92 Ca 0.01 -2.80 -0.38 0.00 -1.94 0.00 0.00 57.00 51.88 3jvz n GLN 92 Cb 0.22 -2.13 -0.04 0.00 0.11 0.00 0.00 30.24 28.40 3jvz n GLN 92 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 3jvz s TRP 93 N -2.85 3.44 -0.01 1.08 -0.11 -1.22 -4.64 118.94 114.62 3jvz s TRP 93 Ca 0.51 1.69 0.04 0.00 1.22 0.00 0.00 56.10 59.55 3jvz s TRP 93 Cb 0.42 -3.17 -0.01 0.00 -1.50 0.00 0.00 33.47 29.21 3jvz s TRP 93 CO 0.12 -0.51 -0.12 0.45 -4.62 0.00 0.00 176.95 172.28 3jvz s SER 94 N -1.29 1.37 0.36 5.86 0.15 -1.26 -5.01 113.70 113.88 3jvz s SER 94 Ca 0.52 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.19 3jvz s SER 94 Cb -0.26 -0.16 1.30 0.00 -1.71 0.00 0.00 66.02 65.19 3jvz s SER 94 CO 0.33 0.14 1.73 1.55 1.20 0.00 0.00 173.24 178.19 3jvz h PRO 95 N 5.87 0.00 0.00 5.44 0.13 -1.92 -0.86 132.00 140.66 3jvz h PRO 95 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 3jvz h PRO 95 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jvz h PRO 95 CO 0.49 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 177.58 3jvz h ALA 96 N 1.97 0.71 -2.93 -0.56 0.00 -1.95 -3.47 119.26 113.03 3jvz h ALA 96 Ca 0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 3jvz h ALA 96 Cb 0.02 0.03 0.11 0.00 0.00 0.00 0.00 17.79 17.95 3jvz h ALA 96 CO 0.00 0.38 0.65 -0.51 0.00 0.00 0.00 179.25 179.77 3jvz s LEU 97 N -6.00 4.11 0.10 0.00 1.43 -0.33 -5.03 118.68 112.96 3jvz s LEU 97 Ca 0.02 2.78 0.10 0.00 -1.03 0.00 0.00 54.13 56.00 3jvz s LEU 97 Cb 0.08 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3jvz s LEU 97 CO 0.75 -1.10 -0.26 -1.59 0.23 0.00 0.00 176.35 174.38 3jvz s LYS 98 N -2.45 1.52 0.25 1.70 -2.85 -1.26 -4.98 119.74 111.67 3jvz s LYS 98 Ca 0.61 -1.24 -0.05 0.00 -1.00 0.00 0.00 55.97 54.29 3jvz s LYS 98 Cb -0.40 -1.87 0.48 0.00 -2.06 0.00 0.00 37.83 33.98 3jvz s LYS 98 CO 0.51 0.46 1.63 0.82 0.10 0.00 0.00 175.35 178.87 3jvz h ILE 99 N 4.03 0.31 -0.53 3.79 1.08 -1.96 0.70 117.51 124.94 3jvz h ILE 99 Ca -0.49 -0.04 0.15 0.00 -0.39 0.00 0.00 64.86 64.10 3jvz h ILE 99 Cb 1.16 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 3jvz h ILE 99 CO 0.41 0.02 0.45 0.77 -0.69 0.00 0.00 178.15 179.10 3jvz h SER 100 N 0.11 0.00 0.64 1.72 4.64 -1.96 0.21 113.55 118.91 3jvz h SER 100 Ca 0.44 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.49 3jvz h SER 100 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3jvz h SER 100 CO -0.69 0.00 -1.36 0.50 -0.87 0.00 0.00 176.83 174.41 3jvz h LYS 101 N 0.00 0.15 0.00 4.77 3.64 -0.03 -3.19 116.57 121.91 3jvz h LYS 101 Ca 0.25 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3jvz h LYS 101 Cb 1.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3jvz h LYS 101 CO -0.00 1.01 -0.48 0.28 -2.27 0.00 0.00 179.45 177.99 3jvz h VAL 102 N 0.04 1.05 0.08 2.00 2.07 0.07 -2.20 116.25 119.35 3jvz h VAL 102 Ca -0.17 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 3jvz h VAL 102 Cb 1.94 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 3jvz h VAL 102 CO 0.15 0.47 -0.04 -0.07 0.02 0.00 0.00 177.57 178.10 3jvz h LEU 103 N 0.00 -0.09 -1.00 2.57 3.38 -0.98 -2.75 115.31 116.45 3jvz h LEU 103 Ca -0.00 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.46 3jvz h LEU 103 Cb 1.06 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3jvz h LEU 103 CO 0.06 0.53 0.66 -0.07 0.09 0.00 0.00 178.44 179.71 3jvz h LEU 104 N -0.77 1.15 -1.64 1.67 3.38 -1.60 0.06 115.31 117.56 3jvz h LEU 104 Ca -0.01 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3jvz h LEU 104 Cb 0.59 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3jvz h LEU 104 CO 0.02 0.83 0.40 0.28 0.09 0.00 0.00 178.44 180.06 3jvz h SER 105 N 1.35 0.37 0.38 -0.43 0.02 -1.44 -0.50 113.55 113.31 3jvz h SER 105 Ca 0.36 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.11 3jvz h SER 105 Cb -0.15 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 3jvz h SER 105 CO -0.08 0.23 -0.90 0.40 -1.14 0.00 0.00 176.83 175.34 3jvz h ILE 106 N 0.42 1.42 -0.10 3.27 2.04 -0.71 -2.78 117.51 121.07 3jvz h ILE 106 Ca 0.27 -2.45 -0.07 0.00 1.00 0.00 0.00 64.86 63.62 3jvz h ILE 106 Cb 0.52 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3jvz h ILE 106 CO -0.07 0.73 -0.24 0.00 0.00 0.00 0.00 178.15 178.56 3jvz h SER 108 N 0.15 -0.12 -0.21 0.00 0.02 -1.16 -2.74 113.55 109.49 3jvz h SER 108 Ca 0.03 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.72 3jvz h SER 108 Cb 0.52 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3jvz h SER 108 CO 0.04 0.27 0.24 0.25 -1.14 0.00 0.00 176.83 176.48 3jvz h LEU 109 N -0.54 0.00 0.48 5.07 5.85 -1.26 -0.12 115.31 124.80 3jvz h LEU 109 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3jvz h LEU 109 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3jvz h LEU 109 CO 0.02 0.00 -0.23 0.25 -0.34 0.00 0.00 178.44 178.14 3jvz h LEU 110 N 0.00 -0.54 -0.26 2.25 5.85 -1.10 -3.07 115.31 118.44 3jvz h LEU 110 Ca 0.10 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3jvz h LEU 110 Cb 0.58 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3jvz h LEU 110 CO -0.00 -0.13 -0.42 0.00 -0.34 0.00 0.00 178.44 177.56 3jvz n ASP 112 N -4.16 4.05 -4.18 0.00 8.00 -0.10 -4.99 116.55 115.18 3jvz n ASP 112 Ca -0.05 -3.24 -0.34 0.00 0.71 0.00 0.00 54.79 51.87 3jvz n ASP 112 Cb 0.55 -0.93 0.13 0.00 -0.02 0.00 0.00 41.12 40.86 3jvz n ASP 112 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3jvz n PRO 113 N 1.83 -1.20 -3.55 -0.24 -0.02 -1.16 -4.54 135.00 126.12 3jvz n PRO 113 Ca 0.23 -0.34 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 3jvz n PRO 113 Cb 0.37 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 3jvz n PRO 113 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3jvz n ASN 114 N -0.22 2.16 0.00 2.55 2.85 -1.26 -4.98 115.26 116.36 3jvz n ASN 114 Ca -0.00 -3.05 0.01 0.00 -0.11 0.00 0.00 54.58 51.43 3jvz n ASN 114 Cb 0.65 -0.67 0.05 0.00 1.24 0.00 0.00 39.78 41.05 3jvz n ASN 114 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3jvz n PRO 115 N 1.69 0.03 0.00 1.20 -0.04 -1.26 -2.85 135.00 133.77 3jvz n PRO 115 Ca 0.25 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 3jvz n PRO 115 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3jvz n PRO 115 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3jvz n ASP 116 N -1.31 0.89 -2.89 3.54 8.00 -1.26 -4.38 116.55 119.14 3jvz n ASP 116 Ca 0.01 -0.95 -0.18 0.00 0.71 0.00 0.00 54.79 54.38 3jvz n ASP 116 Cb 0.02 1.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.11 3jvz n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3jvz n ASP 117 N -1.44 2.19 -4.70 -2.24 9.92 -1.13 -5.12 116.55 114.03 3jvz n ASP 117 Ca 0.04 -3.13 -0.30 0.00 -0.53 0.00 0.00 54.79 50.86 3jvz n ASP 117 Cb 0.29 -0.56 0.14 0.00 -0.64 0.00 0.00 41.12 40.36 3jvz n ASP 117 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3jvz s PRO 118 N -2.98 1.27 -0.01 -0.24 0.04 -1.25 -4.93 135.00 126.91 3jvz s PRO 118 Ca 0.39 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.55 3jvz s PRO 118 Cb 0.38 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 33.12 3jvz s PRO 118 CO -0.07 -2.31 0.00 -0.11 0.04 0.00 0.00 177.00 174.55 3jvz n LEU 119 N -3.97 0.37 -3.94 -3.56 7.94 -0.59 -4.85 117.00 108.40 3jvz n LEU 119 Ca 0.08 -0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.69 3jvz n LEU 119 Cb 0.54 0.01 -0.14 0.00 0.53 0.00 0.00 43.42 44.36 3jvz n LEU 119 CO 0.53 0.08 -0.16 -0.69 -1.11 0.00 0.00 177.39 176.05 3jvz s VAL 120 N -2.02 2.61 0.18 1.96 1.01 -0.49 -4.95 120.40 118.69 3jvz s VAL 120 Ca -0.01 -3.44 -0.21 0.00 0.00 0.00 0.00 61.98 58.33 3jvz s VAL 120 Cb 0.00 -2.80 0.12 0.00 0.00 0.00 0.00 36.38 33.70 3jvz s VAL 120 CO 0.04 -0.83 1.59 1.55 0.00 0.00 0.00 175.10 177.45 3jvz h PRO 121 N 6.35 -0.16 -0.72 2.72 0.13 -1.89 -2.53 132.00 135.90 3jvz h PRO 121 Ca -0.05 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.20 3jvz h PRO 121 Cb 0.87 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.91 3jvz h PRO 121 CO 0.69 -0.11 -0.40 0.93 -0.23 0.00 0.00 178.00 178.88 3jvz h GLU 122 N -0.17 -0.13 -0.07 0.86 5.08 -1.97 -1.19 114.58 117.00 3jvz h GLU 122 Ca 0.23 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3jvz h GLU 122 Cb 0.54 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3jvz h GLU 122 CO -0.65 -0.08 0.04 0.82 -1.00 0.00 0.00 179.01 178.13 3jvz h ILE 123 N -0.13 1.08 -0.55 3.13 2.04 -1.84 -2.14 117.51 119.11 3jvz h ILE 123 Ca 0.24 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.96 3jvz h ILE 123 Cb 0.56 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 3jvz h ILE 123 CO -0.78 0.07 -0.39 0.00 0.00 0.00 0.00 178.15 177.04 3jvz h ALA 124 N 0.94 -0.23 0.32 1.87 0.00 -0.89 0.33 119.26 121.60 3jvz h ALA 124 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3jvz h ALA 124 Cb 0.08 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3jvz h ALA 124 CO -0.00 -0.77 -0.42 -0.09 0.00 0.00 0.00 179.25 177.97 3jvz h ARG 125 N -0.22 -0.76 -0.60 0.00 2.43 -1.15 0.11 114.38 114.19 3jvz h ARG 125 Ca 0.19 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.59 3jvz h ARG 125 Cb 0.56 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3jvz h ARG 125 CO -0.66 -0.50 0.50 0.82 -1.51 0.00 0.00 179.97 178.62 3jvz h ILE 126 N -0.79 0.51 0.04 1.20 5.03 -0.61 0.27 117.51 123.16 3jvz h ILE 126 Ca -0.02 0.00 -0.23 0.00 -0.12 0.00 0.00 64.86 64.49 3jvz h ILE 126 Cb 0.73 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 35.13 3jvz h ILE 126 CO -0.12 0.00 -1.11 0.22 -0.68 0.00 0.00 178.15 176.46 3jvz h TYR 127 N 0.00 0.14 0.08 1.37 5.03 0.11 -2.06 116.97 121.65 3jvz h TYR 127 Ca 0.29 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 3jvz h TYR 127 Cb 1.29 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.57 3jvz h TYR 127 CO 0.00 1.09 -0.04 0.87 -1.32 0.00 0.00 178.16 178.76 3jvz h LYS 128 N 0.02 -0.11 0.06 1.82 1.57 0.19 -3.34 116.57 116.78 3jvz h LYS 128 Ca -0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3jvz h LYS 128 Cb 1.84 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3jvz h LYS 128 CO 0.15 0.22 -0.03 1.79 -0.57 0.00 0.00 179.45 181.01 3jvz h THR 129 N -0.99 0.00 -2.84 -0.16 1.35 -0.91 -3.40 112.91 105.96 3jvz h THR 129 Ca -0.01 -0.76 -0.80 0.00 -0.55 0.00 0.00 66.41 64.29 3jvz h THR 129 Cb 0.38 0.00 -0.29 0.00 -1.73 0.00 0.00 68.15 66.51 3jvz h THR 129 CO 0.02 0.00 0.74 -0.67 -0.25 0.00 0.00 175.52 175.36 3jvz n ASP 130 N -4.32 6.37 -0.11 5.36 -0.08 -0.79 -4.88 116.55 118.09 3jvz n ASP 130 Ca -0.01 -3.44 -0.06 0.00 -1.51 0.00 0.00 54.79 49.77 3jvz n ASP 130 Cb 0.03 -1.23 0.02 0.00 2.34 0.00 0.00 41.12 42.28 3jvz n ASP 130 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3jvz h ARG 131 N 5.29 0.27 -0.27 -0.67 9.65 -1.64 -2.65 114.38 124.37 3jvz h ARG 131 Ca 0.22 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3jvz h ARG 131 Cb 0.60 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 3jvz h ARG 131 CO 1.31 0.18 -0.04 0.93 2.80 0.00 0.00 179.97 185.15 3jvz h GLU 132 N 0.27 0.41 0.17 0.20 5.08 -1.90 -1.96 114.58 116.86 3jvz h GLU 132 Ca 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3jvz h GLU 132 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3jvz h GLU 132 CO -0.18 0.47 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.91 3jvz h LYS 133 N 0.39 -0.36 -0.39 2.33 1.63 -1.79 -1.58 116.57 116.81 3jvz h LYS 133 Ca 0.09 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.99 3jvz h LYS 133 Cb 0.32 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.94 3jvz h LYS 133 CO 0.01 -0.24 -0.32 -0.92 -3.45 0.00 0.00 179.45 174.54 3jvz h TYR 134 N -0.37 -0.87 -0.89 1.91 5.03 -1.12 -0.15 116.97 120.51 3jvz h TYR 134 Ca 0.00 0.06 0.08 0.00 2.58 0.00 0.00 58.73 61.45 3jvz h TYR 134 Cb 0.35 0.44 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 3jvz h TYR 134 CO -0.14 -0.38 0.54 -0.91 -1.32 0.00 0.00 178.16 175.96 3jvz h ASN 135 N -0.25 0.83 0.37 -2.11 2.35 -1.07 0.26 115.58 115.95 3jvz h ASN 135 Ca 0.17 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3jvz h ASN 135 Cb 0.53 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3jvz h ASN 135 CO -0.53 0.50 -0.51 -0.09 -1.65 0.00 0.00 177.43 175.15 3jvz h ARG 136 N 0.94 -0.88 0.69 0.81 2.43 -0.05 -1.36 114.38 116.96 3jvz h ARG 136 Ca 0.41 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.61 3jvz h ARG 136 Cb 0.28 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3jvz h ARG 136 CO -0.21 -0.59 -0.43 0.82 -1.51 0.00 0.00 179.97 178.05 3jvz h ILE 137 N -0.91 0.00 -0.91 1.20 2.04 -0.80 -1.80 117.51 116.33 3jvz h ILE 137 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.08 3jvz h ILE 137 Cb 0.83 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.76 3jvz h ILE 137 CO -0.14 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.27 3jvz h ALA 138 N -1.27 1.37 -0.42 1.87 0.00 -0.99 1.25 119.26 121.07 3jvz h ALA 138 Ca -0.09 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3jvz h ALA 138 Cb 0.84 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3jvz h ALA 138 CO 0.09 -0.51 0.22 -0.09 0.00 0.00 0.00 179.25 178.95 3jvz h ARG 139 N 0.19 0.57 -0.09 0.00 2.43 -0.92 -1.78 114.38 114.78 3jvz h ARG 139 Ca 0.59 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.51 3jvz h ARG 139 Cb 1.23 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3jvz h ARG 139 CO -0.69 0.43 -0.70 0.93 -1.51 0.00 0.00 179.97 178.43 3jvz h GLU 140 N 0.57 0.63 -0.30 0.20 5.08 0.23 -3.09 114.58 117.91 3jvz h GLU 140 Ca 0.15 -0.56 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 3jvz h GLU 140 Cb 0.03 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3jvz h GLU 140 CO -0.02 1.17 -0.01 -1.49 -1.00 0.00 0.00 179.01 177.66 3jvz h TRP 141 N 0.27 0.47 -0.13 4.33 4.06 -0.58 -1.52 115.95 122.85 3jvz h TRP 141 Ca -0.06 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 3jvz h TRP 141 Cb 1.35 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 3jvz h TRP 141 CO 0.11 0.48 -0.29 1.15 -3.56 0.00 0.00 178.44 176.33 3jvz h THR 142 N 0.44 1.26 0.00 1.49 2.02 -1.36 -1.08 112.91 115.68 3jvz h THR 142 Ca 0.10 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 3jvz h THR 142 Cb 0.31 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3jvz h THR 142 CO 0.01 0.37 -0.19 1.56 0.37 0.00 0.00 175.52 177.63 3jvz h GLN 143 N 0.22 0.00 0.00 6.66 1.08 -1.20 -1.76 115.11 120.11 3jvz h GLN 143 Ca 0.03 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.92 3jvz h GLN 143 Cb 0.63 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 3jvz h GLN 143 CO 0.05 0.19 -1.68 1.17 -0.95 0.00 0.00 178.83 177.61 3jvz n LYS 144 N -3.27 0.58 -0.00 1.46 4.81 -0.96 -4.51 118.16 116.26 3jvz n LYS 144 Ca 0.01 0.47 0.07 0.00 -0.87 0.00 0.00 58.31 57.99 3jvz n LYS 144 Cb 0.47 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.75 3jvz n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3jvz n TYR 145 N -4.33 0.00 -0.03 5.64 4.01 -0.45 -4.65 117.16 117.35 3jvz n TYR 145 Ca -0.39 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.25 3jvz n TYR 145 Cb 0.76 -0.23 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 3jvz n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jvz n ALA 146 N -1.80 1.43 1.47 -0.72 0.00 -0.72 -4.71 120.51 115.45 3jvz n ALA 146 Ca -0.01 -0.84 0.14 0.00 0.00 0.00 0.00 53.44 52.72 3jvz n ALA 146 Cb 0.32 -0.71 0.50 0.00 0.00 0.00 0.00 19.45 19.56 3jvz n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17