#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvl s GLU 2 N 0.00 3.23 -0.26 0.00 2.02 -1.26 -4.94 118.70 117.50 1jvl s GLU 2 Ca 0.00 1.56 0.15 0.00 0.02 0.00 0.00 54.97 56.70 1jvl s GLU 2 Cb 0.00 -1.99 0.48 0.00 0.10 0.00 0.00 34.13 32.71 1jvl s GLU 2 CO 0.00 -0.94 1.16 0.00 0.02 0.00 0.00 175.26 175.50 1jvl s SER 4 N -3.58 -0.12 -0.13 0.00 1.04 -1.26 -1.00 113.70 108.65 1jvl s SER 4 Ca 0.39 -0.60 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1jvl s SER 4 Cb 0.37 0.49 0.04 0.00 0.10 0.00 0.00 66.02 67.02 1jvl s SER 4 CO -0.01 -0.94 0.40 0.54 0.98 0.00 0.00 173.24 174.21 1jvl s VAL 5 N -3.89 0.01 -0.19 5.02 0.11 -0.39 -4.94 120.40 116.13 1jvl s VAL 5 Ca 0.10 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1jvl s VAL 5 Cb 0.01 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1jvl s VAL 5 CO -0.04 -0.04 0.08 -1.81 -3.33 0.00 0.00 175.10 169.96 1jvl s ASP 6 N -0.06 5.82 0.02 3.54 1.01 -1.26 -1.02 116.67 124.71 1jvl s ASP 6 Ca -0.02 0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.41 1jvl s ASP 6 Cb -0.03 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1jvl s ASP 6 CO 0.01 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.79 1jvl s ILE 7 N 0.38 1.20 0.03 0.77 1.01 0.72 -4.95 121.20 120.36 1jvl s ILE 7 Ca 0.05 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1jvl s ILE 7 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1jvl s ILE 7 CO -0.00 0.18 -0.24 -1.10 0.00 0.00 0.00 174.94 173.77 1jvl s GLN 8 N -0.78 1.71 -0.13 2.79 -0.21 -1.26 -1.60 119.66 120.18 1jvl s GLN 8 Ca 0.04 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.43 1jvl s GLN 8 Cb -0.07 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 32.14 1jvl s GLN 8 CO 0.00 0.48 -0.17 0.20 -2.12 0.00 0.00 175.29 173.68 1jvl s GLY 9 N -1.08 1.17 0.10 3.09 0.00 -0.69 -2.24 107.32 107.66 1jvl s GLY 9 Ca 0.10 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1jvl s GLY 9 CO 0.01 0.19 0.07 1.16 0.00 0.00 0.00 173.10 174.53 1jvl n ASN 10 N 4.25 1.38 0.25 1.64 0.23 -1.05 -3.75 115.26 118.21 1jvl n ASN 10 Ca -0.19 -1.36 0.16 0.00 -0.53 0.00 0.00 54.58 52.66 1jvl n ASN 10 Cb 0.51 -0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.75 1jvl n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jvl h ASP 11 N 0.13 0.00 -0.11 0.53 3.32 -1.91 -2.67 116.42 115.70 1jvl h ASP 11 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1jvl h ASP 11 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1jvl h ASP 11 CO 0.10 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 1jvl n GLN 12 N -3.00 1.45 -3.57 3.56 3.00 -1.26 -4.89 117.38 112.67 1jvl n GLN 12 Ca 0.02 -0.48 -0.20 0.00 -0.01 0.00 0.00 57.00 56.33 1jvl n GLN 12 Cb 0.36 -1.33 0.05 0.00 0.00 0.00 0.00 30.24 29.32 1jvl n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1jvl n MET 13 N -0.03 -4.65 -3.79 -1.09 1.56 -1.01 -5.01 117.12 103.11 1jvl n MET 13 Ca 0.04 0.70 -0.12 0.00 -0.27 0.00 0.00 57.70 58.05 1jvl n MET 13 Cb 0.24 -5.34 -0.09 0.00 2.15 0.00 0.00 33.22 30.18 1jvl n MET 13 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1jvl s GLN 14 N -5.61 0.66 0.25 2.12 -2.07 -1.26 -4.44 119.66 109.32 1jvl s GLN 14 Ca 0.11 -0.34 -0.07 0.00 -1.82 0.00 0.00 55.36 53.24 1jvl s GLN 14 Cb -0.02 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1jvl s GLN 14 CO 0.79 -0.19 0.54 -0.06 -1.32 0.00 0.00 175.29 175.05 1jvl s PHE 15 N -1.70 3.45 -0.66 9.60 0.08 -1.26 -2.51 117.98 124.98 1jvl s PHE 15 Ca -0.11 0.75 0.05 0.00 0.12 0.00 0.00 56.93 57.74 1jvl s PHE 15 Cb -0.04 -2.17 0.31 0.00 -0.57 0.00 0.00 43.02 40.54 1jvl s PHE 15 CO 0.02 0.24 1.01 0.27 -0.10 0.00 0.00 175.22 176.65 1jvl n ASN 16 N -0.48 2.86 -3.58 1.36 6.94 -0.95 -4.80 115.26 116.60 1jvl n ASN 16 Ca -0.01 -2.38 -0.12 0.00 -0.02 0.00 0.00 54.58 52.06 1jvl n ASN 16 Cb 0.53 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.32 1jvl n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jvl s THR 17 N -1.63 0.00 0.00 5.53 -1.32 -1.26 -4.98 115.64 111.98 1jvl s THR 17 Ca 0.21 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1jvl s THR 17 Cb 0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1jvl s THR 17 CO 0.06 0.00 0.88 -0.46 -2.21 0.00 0.00 174.62 172.89 1jvl n ASN 18 N 1.11 1.74 -3.71 8.08 2.04 -1.26 -4.87 115.26 118.39 1jvl n ASN 18 Ca -0.12 -1.77 -0.11 0.00 -0.44 0.00 0.00 54.58 52.14 1jvl n ASN 18 Cb 0.57 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.72 1jvl n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jvl s ALA 19 N -0.77 -1.06 -0.05 -2.53 0.00 -1.26 -1.86 121.76 114.23 1jvl s ALA 19 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1jvl s ALA 19 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1jvl s ALA 19 CO 0.00 -0.24 -0.15 0.42 0.00 0.00 0.00 175.76 175.79 1jvl s ILE 20 N 0.93 1.27 -0.16 0.00 1.01 0.26 -4.96 121.20 119.54 1jvl s ILE 20 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1jvl s ILE 20 Cb -0.06 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1jvl s ILE 20 CO -0.08 0.37 -0.17 -0.89 0.00 0.00 0.00 174.94 174.18 1jvl s THR 21 N 0.19 2.42 -0.28 2.92 2.01 -1.26 -0.89 115.64 120.75 1jvl s THR 21 Ca -0.06 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 1jvl s THR 21 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1jvl s THR 21 CO 0.02 0.52 0.14 -0.69 -0.69 0.00 0.00 174.62 173.93 1jvl s VAL 22 N 0.98 4.80 0.07 3.82 1.01 0.95 -4.96 120.40 127.08 1jvl s VAL 22 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1jvl s VAL 22 Cb -0.15 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1jvl s VAL 22 CO -0.04 0.21 1.31 -0.62 0.00 0.00 0.00 175.10 175.97 1jvl s ASP 23 N 1.67 6.93 0.25 3.32 -1.08 -1.26 -1.51 116.67 124.99 1jvl s ASP 23 Ca 0.06 2.16 0.16 0.00 -0.52 0.00 0.00 52.55 54.41 1jvl s ASP 23 Cb -0.16 -2.58 0.85 0.00 -1.46 0.00 0.00 42.92 39.57 1jvl s ASP 23 CO 0.07 -0.59 1.46 0.29 0.52 0.00 0.00 175.17 176.92 1jvl n LYS 24 N 4.18 0.10 0.02 4.34 5.02 0.14 -0.88 118.16 131.09 1jvl n LYS 24 Ca 0.11 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 1jvl n LYS 24 Cb 0.44 -1.88 0.49 0.00 -0.02 0.00 0.00 35.03 34.06 1jvl n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1jvl n SER 25 N -2.05 0.27 -4.76 4.39 3.41 -1.26 -4.82 113.62 108.81 1jvl n SER 25 Ca -0.01 0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 58.55 1jvl n SER 25 Cb 0.07 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1jvl n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvl n LYS 27 N 1.32 0.67 -4.13 0.00 4.76 -1.26 -4.71 118.16 114.81 1jvl n LYS 27 Ca -0.01 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 1jvl n LYS 27 Cb 0.45 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.90 1jvl n LYS 27 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1jvl s GLN 28 N -2.54 0.72 -0.03 1.97 -2.07 -1.26 -1.82 119.66 114.63 1jvl s GLN 28 Ca -0.13 -1.06 0.02 0.00 -1.82 0.00 0.00 55.36 52.37 1jvl s GLN 28 Cb 0.07 -0.33 0.01 0.00 -1.09 0.00 0.00 33.01 31.67 1jvl s GLN 28 CO 0.79 0.04 -0.06 0.12 -1.32 0.00 0.00 175.29 174.85 1jvl s PHE 29 N -2.40 0.72 -0.09 9.60 5.36 -0.13 -4.84 117.98 126.20 1jvl s PHE 29 Ca 0.01 -0.17 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1jvl s PHE 29 Cb -0.03 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1jvl s PHE 29 CO -0.01 -0.11 -0.16 0.99 -1.46 0.00 0.00 175.22 174.47 1jvl s THR 30 N 0.39 2.85 -0.19 0.12 2.01 -0.17 -1.29 115.64 119.36 1jvl s THR 30 Ca -0.05 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1jvl s THR 30 Cb -0.09 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.30 1jvl s THR 30 CO 0.00 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 1jvl s VAL 31 N -0.16 2.40 -0.32 3.82 1.01 0.17 -1.26 120.40 126.07 1jvl s VAL 31 Ca -0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1jvl s VAL 31 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1jvl s VAL 31 CO 0.03 0.49 0.21 0.20 0.00 0.00 0.00 175.10 176.03 1jvl s ASN 32 N 1.33 5.93 -0.12 3.32 0.01 -0.19 -1.67 114.94 123.55 1jvl s ASN 32 Ca 0.05 -0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 51.85 1jvl s ASN 32 Cb -0.13 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1jvl s ASN 32 CO -0.10 -0.17 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.08 1jvl s LEU 33 N 1.71 3.40 0.09 0.60 2.96 0.14 -0.20 118.68 127.38 1jvl s LEU 33 Ca 0.06 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1jvl s LEU 33 Cb -0.17 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1jvl s LEU 33 CO 0.10 0.26 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.36 1jvl s SER 34 N -0.18 1.30 -0.42 3.68 1.04 -0.63 -0.47 113.70 118.02 1jvl s SER 34 Ca 0.04 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1jvl s SER 34 Cb -0.13 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.15 1jvl s SER 34 CO 0.02 -0.32 0.17 -2.28 0.98 0.00 0.00 173.24 171.81 1jvl s HIS 35 N -2.71 3.02 -1.33 5.02 2.46 -0.68 -1.70 115.29 119.37 1jvl s HIS 35 Ca 0.06 -2.84 0.00 0.00 0.47 0.00 0.00 55.06 52.76 1jvl s HIS 35 Cb -0.01 -2.58 0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1jvl s HIS 35 CO -0.01 -0.83 0.69 -0.35 -2.47 0.00 0.00 174.74 171.76 1jvl n PRO 36 N 3.76 1.07 -0.49 2.88 -0.04 -1.25 -1.06 135.00 139.87 1jvl n PRO 36 Ca 0.04 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jvl n PRO 36 Cb 0.37 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1jvl n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jvl n GLY 37 N 0.19 0.43 0.00 0.55 0.00 -1.26 -4.91 105.19 100.18 1jvl n GLY 37 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1jvl n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jvl n ASN 38 N -2.90 0.18 -4.81 1.61 4.13 -1.26 -3.99 115.26 108.22 1jvl n ASN 38 Ca 0.00 -0.59 -0.35 0.00 1.68 0.00 0.00 54.58 55.31 1jvl n ASN 38 Cb 0.00 0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 39.01 1jvl n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jvl s LEU 39 N -1.68 4.27 0.84 3.41 1.43 -1.26 -4.84 118.68 120.84 1jvl s LEU 39 Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1jvl s LEU 39 Cb 0.00 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.49 1jvl s LEU 39 CO 0.01 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.47 1jvl s PRO 40 N -2.24 1.76 0.32 1.29 0.04 -1.26 -1.80 135.00 133.11 1jvl s PRO 40 Ca 0.48 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.33 1jvl s PRO 40 Cb -0.15 -1.87 0.61 0.00 0.04 0.00 0.00 34.50 33.13 1jvl s PRO 40 CO 0.20 -1.88 1.90 -0.22 0.04 0.00 0.00 177.00 177.04 1jvl h LYS 41 N -1.29 0.90 0.00 4.56 3.64 -1.85 0.11 116.57 122.64 1jvl h LYS 41 Ca -0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1jvl h LYS 41 Cb 1.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1jvl h LYS 41 CO 0.56 0.60 -0.03 0.00 -2.27 0.00 0.00 179.45 178.31 1jvl n VAL 43 N -3.19 0.61 -2.66 0.00 0.31 -0.86 -4.82 118.33 107.73 1jvl n VAL 43 Ca -0.01 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 1jvl n VAL 43 Cb 0.23 -0.86 0.04 0.00 -0.91 0.00 0.00 33.84 32.33 1jvl n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1jvl n MET 44 N -2.72 1.85 -2.57 5.55 0.00 0.31 -5.02 117.12 114.52 1jvl n MET 44 Ca -0.18 -3.57 -0.36 0.00 -0.00 0.00 0.00 57.70 53.60 1jvl n MET 44 Cb 0.72 -1.60 -0.04 0.00 0.00 0.00 0.00 33.22 32.30 1jvl n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jvl s GLY 45 N -3.51 2.65 0.02 -5.12 0.00 -0.53 -4.75 107.32 96.08 1jvl s GLY 45 Ca 0.31 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.71 1jvl s GLY 45 CO -0.02 1.03 -0.08 0.30 0.00 0.00 0.00 173.10 174.34 1jvl s HIS 46 N -1.78 0.71 0.19 1.90 3.76 -0.47 -4.66 115.29 114.93 1jvl s HIS 46 Ca 0.60 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 1jvl s HIS 46 Cb -0.19 -0.44 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1jvl s HIS 46 CO 0.24 -0.03 0.03 0.54 -0.85 0.00 0.00 174.74 174.68 1jvl s ASN 47 N -0.85 1.10 -0.20 1.40 2.20 -1.26 -0.79 114.94 116.53 1jvl s ASN 47 Ca -0.02 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 1jvl s ASN 47 Cb -0.06 0.15 0.02 0.00 -2.00 0.00 0.00 41.25 39.36 1jvl s ASN 47 CO 0.00 -0.63 -0.16 0.86 -2.94 0.00 0.00 177.10 174.24 1jvl s TRP 48 N -3.73 2.89 -0.04 1.54 -0.00 -1.26 -3.95 118.94 114.39 1jvl s TRP 48 Ca 0.27 -1.65 0.04 0.00 -0.00 0.00 0.00 56.10 54.77 1jvl s TRP 48 Cb 0.07 -1.96 -0.00 0.00 -0.00 0.00 0.00 33.47 31.58 1jvl s TRP 48 CO 0.06 -0.78 -0.17 0.08 -0.00 0.00 0.00 176.95 176.14 1jvl s VAL 49 N 1.29 1.43 -0.11 5.86 1.01 0.04 -1.65 120.40 128.27 1jvl s VAL 49 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1jvl s VAL 49 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1jvl s VAL 49 CO -0.10 0.41 -0.15 -0.22 0.00 0.00 0.00 175.10 175.04 1jvl s LEU 50 N 0.02 2.60 0.34 3.92 2.96 -0.12 -0.87 118.68 127.52 1jvl s LEU 50 Ca -0.03 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1jvl s LEU 50 Cb -0.11 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.03 1jvl s LEU 50 CO 0.02 0.19 0.58 -0.94 -1.32 0.00 0.00 176.35 174.89 1jvl s SER 51 N 0.16 0.40 0.68 3.68 1.04 -0.79 -0.32 113.70 118.56 1jvl s SER 51 Ca -0.09 -1.24 -0.11 0.00 0.48 0.00 0.00 55.95 54.99 1jvl s SER 51 Cb -0.15 0.71 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jvl s SER 51 CO 0.05 -1.39 1.06 0.42 0.98 0.00 0.00 173.24 174.36 1jvl s THR 52 N -3.05 4.11 0.27 2.02 -4.23 -1.26 -1.19 115.64 112.31 1jvl s THR 52 Ca 0.24 0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1jvl s THR 52 Cb -0.02 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1jvl s THR 52 CO 0.15 -0.88 1.88 0.00 -0.54 0.00 0.00 174.62 175.23 1jvl h ALA 53 N -0.62 1.39 -0.30 3.99 0.00 -1.38 -2.09 119.26 120.25 1jvl h ALA 53 Ca -0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1jvl h ALA 53 Cb 1.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jvl h ALA 53 CO 0.57 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 180.21 1jvl h ALA 54 N 1.45 1.35 0.00 0.00 0.00 -1.92 -3.01 119.26 117.14 1jvl h ALA 54 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jvl h ALA 54 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jvl h ALA 54 CO -0.17 0.44 -0.43 -0.44 0.00 0.00 0.00 179.25 178.65 1jvl h ASP 55 N 0.45 0.00 -0.48 0.00 3.32 -1.77 -3.40 116.42 114.54 1jvl h ASP 55 Ca 0.09 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.17 1jvl h ASP 55 Cb 0.38 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.85 1jvl h ASP 55 CO 0.02 0.01 -0.53 -0.03 -1.72 0.00 0.00 179.24 176.99 1jvl h MET 56 N 0.00 -0.33 -0.66 3.56 1.85 -1.26 -1.47 114.93 116.62 1jvl h MET 56 Ca 0.00 0.02 0.12 0.00 -0.61 0.00 0.00 59.70 59.24 1jvl h MET 56 Cb 0.94 0.07 -0.09 0.00 0.43 0.00 0.00 31.60 32.95 1jvl h MET 56 CO 0.00 -0.22 0.20 0.37 -0.40 0.00 0.00 176.91 176.86 1jvl h GLN 57 N -0.34 0.33 -0.68 0.39 5.75 -1.78 0.28 115.11 119.05 1jvl h GLN 57 Ca 0.10 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1jvl h GLN 57 Cb 0.58 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1jvl h GLN 57 CO -0.63 0.22 0.36 0.78 -2.65 0.00 0.00 178.83 176.90 1jvl h GLY 58 N 0.34 1.03 1.00 2.39 0.00 -1.66 -0.40 103.07 105.77 1jvl h GLY 58 Ca 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1jvl h GLY 58 CO -0.40 0.46 0.11 -2.08 0.00 0.00 0.00 176.54 174.64 1jvl h VAL 59 N 0.94 1.25 -0.56 4.60 2.07 -0.25 -1.85 116.25 122.45 1jvl h VAL 59 Ca 0.24 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1jvl h VAL 59 Cb 0.07 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jvl h VAL 59 CO -0.04 0.33 0.05 0.58 0.02 0.00 0.00 177.57 178.52 1jvl h VAL 60 N 0.79 1.26 -0.00 2.57 2.07 -0.70 -0.53 116.25 121.70 1jvl h VAL 60 Ca 0.17 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jvl h VAL 60 Cb 0.37 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1jvl h VAL 60 CO 0.01 0.38 -0.00 0.74 0.02 0.00 0.00 177.57 178.71 1jvl h THR 61 N 0.84 1.25 0.00 2.57 2.02 -0.95 -1.38 112.91 117.26 1jvl h THR 61 Ca 0.16 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1jvl h THR 61 Cb 0.48 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1jvl h THR 61 CO 0.02 0.19 -0.44 0.44 0.37 0.00 0.00 175.52 176.10 1jvl h ASP 62 N -0.31 0.00 -0.13 4.18 3.32 -1.37 -2.93 116.42 119.18 1jvl h ASP 62 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1jvl h ASP 62 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jvl h ASP 62 CO 0.00 0.44 -0.04 1.23 -1.72 0.00 0.00 179.24 179.16 1jvl h GLY 63 N 1.53 0.27 0.28 2.75 0.00 -0.98 -2.32 103.07 104.61 1jvl h GLY 63 Ca -0.00 -0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.20 1jvl h GLY 63 CO 0.06 0.21 0.22 1.98 0.00 0.00 0.00 176.54 179.00 1jvl h MET 64 N -0.07 0.36 0.00 4.80 1.85 -1.16 -0.78 114.93 119.94 1jvl h MET 64 Ca 0.03 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1jvl h MET 64 Cb 0.47 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1jvl h MET 64 CO 0.01 0.24 0.00 0.00 -0.40 0.00 0.00 176.91 176.77 1jvl h ALA 65 N 1.46 1.00 0.00 0.39 0.00 -1.43 -3.18 119.26 117.50 1jvl h ALA 65 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1jvl h ALA 65 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jvl h ALA 65 CO -0.35 0.00 -0.25 0.77 0.00 0.00 0.00 179.25 179.42 1jvl h SER 66 N 0.00 0.00 -4.43 0.00 0.02 -0.56 -3.50 113.55 105.09 1jvl h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jvl h SER 66 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jvl h SER 66 CO 0.00 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 1jvl n GLY 67 N 0.49 -0.55 0.35 -3.77 0.00 -1.20 -4.40 105.19 96.11 1jvl n GLY 67 Ca 0.01 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.39 1jvl n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jvl h LEU 68 N 0.00 0.77 -1.41 0.99 5.85 -1.92 -1.44 115.31 118.15 1jvl h LEU 68 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jvl h LEU 68 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1jvl h LEU 68 CO 0.00 0.53 0.00 -2.24 -0.34 0.00 0.00 178.44 176.39 1jvl h ASP 69 N 0.89 0.00 -0.39 1.25 2.03 -2.02 -1.55 116.42 116.64 1jvl h ASP 69 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1jvl h ASP 69 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1jvl h ASP 69 CO -0.09 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.41 1jvl n LYS 70 N -2.56 3.05 -2.08 4.15 4.76 -0.84 -4.94 118.16 119.69 1jvl n LYS 70 Ca 0.00 -2.47 -0.20 0.00 -2.87 0.00 0.00 58.31 52.77 1jvl n LYS 70 Cb 0.17 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 31.75 1jvl n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jvl n ASP 71 N 0.34 -5.67 -3.66 4.39 9.92 -0.58 -2.51 116.55 118.78 1jvl n ASP 71 Ca 0.18 0.18 -0.23 0.00 -0.53 0.00 0.00 54.79 54.38 1jvl n ASP 71 Cb 0.66 -4.79 0.06 0.00 -0.64 0.00 0.00 41.12 36.41 1jvl n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jvl n TYR 72 N -3.40 -2.36 -3.77 1.24 4.01 -0.60 -4.76 117.16 107.51 1jvl n TYR 72 Ca -0.23 0.93 -0.15 0.00 -0.16 0.00 0.00 57.90 58.30 1jvl n TYR 72 Cb 0.68 -4.66 -0.16 0.00 -0.31 0.00 0.00 39.34 34.90 1jvl n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jvl s LEU 73 N -6.94 0.99 0.26 7.72 1.43 -1.05 -4.26 118.68 116.84 1jvl s LEU 73 Ca 0.33 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1jvl s LEU 73 Cb -0.16 0.06 -0.11 0.00 0.03 0.00 0.00 46.19 46.01 1jvl s LEU 73 CO 0.77 -0.13 1.54 -0.75 0.23 0.00 0.00 176.35 178.01 1jvl s LYS 74 N 1.08 4.19 0.55 1.70 2.20 -1.26 -4.87 119.74 123.34 1jvl s LYS 74 Ca -0.09 2.45 -0.21 0.00 -0.36 0.00 0.00 55.97 57.77 1jvl s LYS 74 Cb -0.12 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1jvl s LYS 74 CO -0.04 -0.56 1.31 -2.14 -0.36 0.00 0.00 175.35 173.56 1jvl s PRO 75 N -0.21 3.12 -1.49 4.03 0.02 -1.26 -3.07 135.00 136.14 1jvl s PRO 75 Ca 0.63 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1jvl s PRO 75 Cb -0.45 -2.18 0.07 0.00 0.02 0.00 0.00 34.50 31.95 1jvl s PRO 75 CO 0.44 -1.16 0.95 -0.25 -0.33 0.00 0.00 177.00 176.65 1jvl n ASP 76 N -1.14 -4.36 -4.55 2.53 8.00 -1.26 -4.92 116.55 110.86 1jvl n ASP 76 Ca 0.11 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 1jvl n ASP 76 Cb 0.46 -3.98 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 1jvl n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jvl s ASP 77 N -3.47 6.40 0.00 -2.24 -1.08 -1.17 -4.88 116.67 110.22 1jvl s ASP 77 Ca 0.56 -0.13 0.18 0.00 -0.52 0.00 0.00 52.55 52.64 1jvl s ASP 77 Cb -0.28 -2.47 0.79 0.00 -1.46 0.00 0.00 42.92 39.50 1jvl s ASP 77 CO 0.82 -1.27 1.55 -1.54 0.52 0.00 0.00 175.17 175.26 1jvl n SER 78 N 7.68 0.00 0.22 -0.34 3.41 -1.26 -2.70 113.62 120.64 1jvl n SER 78 Ca 0.05 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1jvl n SER 78 Cb 0.48 -0.44 0.24 0.00 -0.26 0.00 0.00 64.21 64.23 1jvl n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1jvl h ARG 79 N 0.00 0.00 -6.41 4.33 3.08 -1.97 -3.43 114.38 109.98 1jvl h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1jvl h ARG 79 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 1jvl h ARG 79 CO 0.00 0.04 0.81 0.08 -1.07 0.00 0.00 179.97 179.83 1jvl s VAL 80 N -3.27 4.40 0.06 2.04 1.01 -1.10 -4.51 120.40 119.04 1jvl s VAL 80 Ca 0.06 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 1jvl s VAL 80 Cb 0.06 -4.48 -0.21 0.00 0.00 0.00 0.00 36.38 31.75 1jvl s VAL 80 CO 0.66 -0.73 1.20 0.40 0.00 0.00 0.00 175.10 176.63 1jvl h ILE 81 N 5.97 1.33 -2.96 2.22 2.04 -0.95 -3.48 117.51 121.69 1jvl h ILE 81 Ca -0.22 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 63.54 1jvl h ILE 81 Cb 1.06 2.31 -0.13 0.00 -0.74 0.00 0.00 36.82 39.32 1jvl h ILE 81 CO 1.06 0.63 0.13 0.00 0.00 0.00 0.00 178.15 179.98 1jvl s ALA 82 N -3.45 -1.46 -0.13 1.87 0.00 -1.22 -5.02 121.76 112.36 1jvl s ALA 82 Ca -0.11 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1jvl s ALA 82 Cb 0.06 0.71 0.13 0.00 0.00 0.00 0.00 23.12 24.02 1jvl s ALA 82 CO 0.88 -0.68 1.02 -3.38 0.00 0.00 0.00 175.76 173.60 1jvl s HIS 83 N -3.37 -0.31 0.48 0.00 -3.43 -1.26 -0.95 115.29 106.45 1jvl s HIS 83 Ca -0.00 0.39 0.05 0.00 -0.80 0.00 0.00 55.06 54.70 1jvl s HIS 83 Cb -0.00 0.49 0.08 0.00 -1.43 0.00 0.00 32.58 31.72 1jvl s HIS 83 CO -0.09 -0.36 0.66 0.25 -2.00 0.00 0.00 174.74 173.19 1jvl n THR 84 N 0.32 0.00 -2.28 -5.38 -2.24 -0.66 -4.83 114.28 99.21 1jvl n THR 84 Ca -0.08 -1.38 -0.25 0.00 -2.27 0.00 0.00 64.05 60.07 1jvl n THR 84 Cb 0.59 -0.75 0.06 0.00 -2.10 0.00 0.00 70.33 68.13 1jvl n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jvl s LYS 85 N -4.14 2.27 -0.12 -0.78 1.02 -1.26 -4.65 119.74 112.08 1jvl s LYS 85 Ca 0.48 -0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.87 1jvl s LYS 85 Cb -0.03 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1jvl s LYS 85 CO 0.31 -1.14 0.84 -1.17 -0.92 0.00 0.00 175.35 173.27 1jvl s LEU 86 N -5.16 4.23 0.22 3.17 2.96 -1.26 -4.44 118.68 118.39 1jvl s LEU 86 Ca 0.59 1.27 0.11 0.00 -0.22 0.00 0.00 54.13 55.88 1jvl s LEU 86 Cb -0.11 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1jvl s LEU 86 CO 0.44 -0.34 -0.22 0.27 -1.32 0.00 0.00 176.35 175.18 1jvl s ILE 87 N 1.76 2.31 0.12 6.68 -4.36 0.03 -4.89 121.20 122.84 1jvl s ILE 87 Ca 0.41 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1jvl s ILE 87 Cb -0.17 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.40 1jvl s ILE 87 CO 0.16 -0.25 0.04 0.61 0.24 0.00 0.00 174.94 175.74 1jvl n GLY 88 N -0.04 3.56 3.53 6.27 0.00 -1.26 -1.37 105.19 115.88 1jvl n GLY 88 Ca -0.10 -2.23 -0.50 0.00 0.00 0.00 0.00 46.02 43.19 1jvl n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jvl n SER 89 N -1.48 0.64 0.00 1.61 2.88 -0.74 -1.72 113.62 114.80 1jvl n SER 89 Ca -0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1jvl n SER 89 Cb 0.14 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1jvl n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jvl n GLY 90 N 1.87 0.77 3.98 0.46 0.00 -0.22 -5.00 105.19 107.05 1jvl n GLY 90 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1jvl n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jvl s GLU 91 N -0.33 3.06 0.04 1.61 2.02 -0.70 -4.92 118.70 119.48 1jvl s GLU 91 Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 54.97 53.95 1jvl s GLU 91 Cb 0.00 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1jvl s GLU 91 CO 0.00 -0.07 0.27 -1.59 0.02 0.00 0.00 175.26 173.89 1jvl s LYS 92 N -4.29 0.78 -0.02 1.61 -2.85 -1.26 -1.69 119.74 112.01 1jvl s LYS 92 Ca 0.47 -0.55 -0.26 0.00 -1.00 0.00 0.00 55.97 54.64 1jvl s LYS 92 Cb -0.10 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.06 1jvl s LYS 92 CO 0.33 -0.24 0.57 0.34 0.10 0.00 0.00 175.35 176.45 1jvl s ASP 93 N -2.08 -0.52 0.07 0.03 2.15 0.38 -5.00 116.67 111.70 1jvl s ASP 93 Ca -0.05 0.48 0.06 0.00 0.43 0.00 0.00 52.55 53.47 1jvl s ASP 93 Cb -0.01 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1jvl s ASP 93 CO -0.04 -0.59 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.77 1jvl s SER 94 N -1.36 1.94 -0.03 -0.34 0.01 -1.26 0.23 113.70 112.89 1jvl s SER 94 Ca -0.11 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1jvl s SER 94 Cb -0.01 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1jvl s SER 94 CO 0.07 -0.00 -0.06 0.54 0.41 0.00 0.00 173.24 174.20 1jvl s VAL 95 N -1.12 0.56 -0.11 3.43 0.11 -0.67 -4.93 120.40 117.68 1jvl s VAL 95 Ca 0.02 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1jvl s VAL 95 Cb -0.09 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1jvl s VAL 95 CO 0.02 0.21 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.88 1jvl s THR 96 N 0.52 1.99 0.13 5.04 2.01 -1.26 -0.65 115.64 123.42 1jvl s THR 96 Ca -0.07 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.00 1jvl s THR 96 Cb -0.11 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1jvl s THR 96 CO 0.00 0.54 -0.10 0.72 -0.69 0.00 0.00 174.62 175.10 1jvl s PHE 97 N 0.47 1.16 -0.06 4.92 -0.71 -0.41 -4.94 117.98 118.41 1jvl s PHE 97 Ca -0.16 -0.77 -0.30 0.00 -1.04 0.00 0.00 56.93 54.67 1jvl s PHE 97 Cb -0.17 -0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 41.00 1jvl s PHE 97 CO 0.06 0.03 1.09 -0.51 -1.34 0.00 0.00 175.22 174.55 1jvl s ASP 98 N -3.01 7.18 0.58 1.98 1.01 -1.26 -0.95 116.67 122.19 1jvl s ASP 98 Ca 0.14 1.68 0.33 0.00 0.71 0.00 0.00 52.55 55.40 1jvl s ASP 98 Cb 0.02 -2.56 1.76 0.00 1.01 0.00 0.00 42.92 43.15 1jvl s ASP 98 CO -0.00 -0.48 2.17 0.58 0.21 0.00 0.00 175.17 177.65 1jvl h VAL 99 N 4.99 0.36 0.00 -1.27 2.07 -1.64 -1.84 116.25 118.92 1jvl h VAL 99 Ca -0.34 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1jvl h VAL 99 Cb 1.16 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1jvl h VAL 99 CO 0.85 0.05 0.00 0.77 0.02 0.00 0.00 177.57 179.26 1jvl h SER 100 N 0.00 0.00 0.98 0.57 4.64 -1.89 0.67 113.55 118.52 1jvl h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jvl h SER 100 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1jvl h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1jvl n LYS 101 N -2.40 0.13 -3.95 4.77 5.02 -0.69 -4.74 118.16 116.29 1jvl n LYS 101 Ca -0.01 0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 1jvl n LYS 101 Cb 0.10 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1jvl n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jvl s LEU 102 N -3.84 4.24 0.03 -0.35 1.43 0.23 -5.11 118.68 115.31 1jvl s LEU 102 Ca 0.09 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 1jvl s LEU 102 Cb 0.13 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1jvl s LEU 102 CO 0.46 0.24 -0.23 -1.59 0.23 0.00 0.00 176.35 175.47 1jvl s LYS 103 N -2.01 1.64 0.49 1.70 -2.85 -1.26 -5.04 119.74 112.41 1jvl s LYS 103 Ca 0.28 -0.97 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 1jvl s LYS 103 Cb -0.13 -1.74 -0.06 0.00 -2.06 0.00 0.00 37.83 33.84 1jvl s LYS 103 CO 0.19 0.45 1.22 -1.21 0.10 0.00 0.00 175.35 176.11 1jvl s GLU 104 N -1.04 3.53 0.00 1.78 2.02 -1.26 -2.97 118.70 120.76 1jvl s GLU 104 Ca 0.09 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.98 1jvl s GLU 104 Cb -0.09 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1jvl s GLU 104 CO 0.01 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1jvl n GLY 105 N 0.51 2.75 3.78 -1.39 0.00 -1.26 -5.01 105.19 104.58 1jvl n GLY 105 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1jvl n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jvl s GLU 106 N -0.05 3.74 -0.25 1.61 2.56 -1.16 -5.02 118.70 120.13 1jvl s GLU 106 Ca 0.00 1.53 -0.12 0.00 0.00 0.00 0.00 54.97 56.38 1jvl s GLU 106 Cb 0.00 -2.21 -0.05 0.00 2.00 0.00 0.00 34.13 33.88 1jvl s GLU 106 CO 0.00 -0.51 0.23 -0.65 -0.56 0.00 0.00 175.26 173.76 1jvl s GLN 107 N -3.02 4.04 0.10 4.30 -0.21 -1.26 -4.86 119.66 118.75 1jvl s GLN 107 Ca 0.66 -0.18 0.08 0.00 0.02 0.00 0.00 55.36 55.94 1jvl s GLN 107 Cb -0.22 -3.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 1jvl s GLN 107 CO 0.26 -0.07 -0.18 0.71 -2.12 0.00 0.00 175.29 173.89 1jvl s TYR 108 N 1.43 2.54 0.01 0.91 2.02 -1.24 -1.03 117.35 122.00 1jvl s TYR 108 Ca 0.10 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1jvl s TYR 108 Cb -0.15 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 1jvl s TYR 108 CO 0.08 0.35 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.65 1jvl s MET 109 N -1.96 0.87 0.08 -0.62 -1.94 -0.33 -1.71 119.30 113.69 1jvl s MET 109 Ca 0.17 -0.54 0.08 0.00 -1.71 0.00 0.00 55.69 53.69 1jvl s MET 109 Cb -0.11 -0.84 -0.04 0.00 2.01 0.00 0.00 34.83 35.86 1jvl s MET 109 CO 0.09 0.22 -0.19 -0.59 -0.01 0.00 0.00 175.02 174.53 1jvl s PHE 110 N -0.54 2.51 0.22 -0.03 -0.12 -0.46 -1.89 117.98 117.66 1jvl s PHE 110 Ca 0.02 -0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 56.39 1jvl s PHE 110 Cb -0.06 -1.39 0.05 0.00 -0.63 0.00 0.00 43.02 40.99 1jvl s PHE 110 CO 0.00 0.31 0.86 -0.59 -0.05 0.00 0.00 175.22 175.75 1jvl s PHE 111 N -1.02 -0.13 -0.13 3.49 -0.71 -0.05 -1.23 117.98 118.21 1jvl s PHE 111 Ca 0.16 -0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1jvl s PHE 111 Cb -0.10 0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1jvl s PHE 111 CO 0.07 -1.03 0.06 0.00 -1.34 0.00 0.00 175.22 172.97 1jvl n THR 113 N 2.55 0.44 -1.95 0.00 -2.24 -1.26 -3.21 114.28 108.61 1jvl n THR 113 Ca -0.18 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 1jvl n THR 113 Cb 0.54 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1jvl n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jvl s PHE 114 N -1.56 2.98 -0.35 4.78 2.19 -1.26 -4.34 117.98 120.42 1jvl s PHE 114 Ca 0.37 0.87 -0.33 0.00 0.33 0.00 0.00 56.93 58.17 1jvl s PHE 114 Cb 0.22 -3.90 -0.14 0.00 -1.31 0.00 0.00 43.02 37.89 1jvl s PHE 114 CO 0.31 -3.06 1.20 -2.30 1.83 0.00 0.00 175.22 173.20 1jvl n PRO 115 N 2.77 0.00 0.00 10.12 -0.02 -1.26 -1.21 135.00 145.40 1jvl n PRO 115 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1jvl n PRO 115 Cb 0.39 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1jvl n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jvl n GLY 116 N 3.28 3.00 0.28 -1.23 0.00 -1.26 -4.89 105.19 104.37 1jvl n GLY 116 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 1jvl n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jvl h HIS 117 N 0.00 0.53 0.00 1.61 3.86 -1.44 -2.78 115.15 116.93 1jvl h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jvl h HIS 117 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1jvl h HIS 117 CO 0.00 0.49 0.07 0.66 0.86 0.00 0.00 177.93 180.01 1jvl h SER 118 N 0.51 0.00 -0.73 2.45 4.64 -1.74 0.50 113.55 119.18 1jvl h SER 118 Ca 0.11 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1jvl h SER 118 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1jvl h SER 118 CO 0.00 0.00 0.48 0.00 -0.87 0.00 0.00 176.83 176.44 1jvl h ALA 119 N 1.84 1.47 0.00 5.18 0.00 -1.84 -3.33 119.26 122.59 1jvl h ALA 119 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1jvl h ALA 119 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jvl h ALA 119 CO 0.00 0.49 -1.22 1.28 0.00 0.00 0.00 179.25 179.79 1jvl n LEU 120 N -4.42 0.41 -4.45 0.00 4.77 -0.22 -4.88 117.00 108.21 1jvl n LEU 120 Ca 0.08 -0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.61 1jvl n LEU 120 Cb 0.03 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1jvl n LEU 120 CO 0.36 0.15 1.26 -0.04 -1.33 0.00 0.00 177.39 177.79 1jvl s MET 121 N -2.08 3.99 0.16 3.23 -1.94 0.16 -4.76 119.30 118.06 1jvl s MET 121 Ca -0.02 -2.46 -0.18 0.00 -1.71 0.00 0.00 55.69 51.31 1jvl s MET 121 Cb 0.01 -4.99 0.04 0.00 2.01 0.00 0.00 34.83 31.90 1jvl s MET 121 CO 0.13 -1.72 0.50 -1.59 -0.01 0.00 0.00 175.02 172.32 1jvl s LYS 122 N 1.58 1.24 0.12 2.03 -2.85 -1.26 -2.29 119.74 118.31 1jvl s LYS 122 Ca 0.39 -0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 54.41 1jvl s LYS 122 Cb -0.04 0.52 0.08 0.00 -2.06 0.00 0.00 37.83 36.33 1jvl s LYS 122 CO -0.02 -0.52 1.08 0.20 0.10 0.00 0.00 175.35 176.19 1jvl s GLY 123 N -2.82 -0.09 0.10 0.59 0.00 -0.36 -4.76 107.32 99.99 1jvl s GLY 123 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1jvl s GLY 123 CO -0.09 1.74 0.14 -0.51 0.00 0.00 0.00 173.10 174.38 1jvl s THR 124 N -2.50 4.75 -0.07 0.90 -4.23 -0.78 -1.36 115.64 112.36 1jvl s THR 124 Ca 0.19 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1jvl s THR 124 Cb -0.01 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1jvl s THR 124 CO 0.02 0.05 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.84 1jvl s LEU 125 N -2.68 1.42 0.03 4.79 0.20 -0.69 -0.58 118.68 121.17 1jvl s LEU 125 Ca 0.31 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.94 1jvl s LEU 125 Cb -0.12 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.91 1jvl s LEU 125 CO 0.24 -0.03 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.22 1jvl s THR 126 N 1.01 1.28 -0.51 3.68 2.01 -0.07 -3.58 115.64 119.46 1jvl s THR 126 Ca -0.09 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 1jvl s THR 126 Cb -0.15 -1.12 0.09 0.00 0.01 0.00 0.00 72.50 71.34 1jvl s THR 126 CO -0.00 0.13 0.49 -0.22 -0.69 0.00 0.00 174.62 174.33 1jvl s LEU 127 N -0.97 5.70 0.00 4.42 2.96 -1.26 -0.04 118.68 129.49 1jvl s LEU 127 Ca 0.04 -1.43 0.07 0.00 -0.22 0.00 0.00 54.13 52.58 1jvl s LEU 127 Cb -0.08 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.43 1jvl s LEU 127 CO 0.01 -0.79 0.71 2.29 -1.32 0.00 0.00 176.35 177.25