#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr0 s PRO 2 N 0.00 3.40 0.00 -2.82 0.04 -1.26 -4.93 135.00 129.43 1jr0 s PRO 2 Ca 0.00 1.37 0.22 0.00 0.04 0.00 0.00 61.00 62.63 1jr0 s PRO 2 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1jr0 s PRO 2 CO 0.00 -0.77 1.04 1.04 0.04 0.00 0.00 177.00 178.35 1jr0 n GLN 3 N -1.60 0.04 -3.73 4.56 1.13 -1.26 -4.98 117.38 111.54 1jr0 n GLN 3 Ca 0.10 -0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.07 1jr0 n GLN 3 Cb 0.52 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 1jr0 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jr0 s ASN 4 N -3.12 -0.34 0.42 1.08 2.20 -1.26 -5.06 114.94 108.85 1jr0 s ASN 4 Ca 0.08 -0.43 0.14 0.00 -0.94 0.00 0.00 52.86 51.71 1jr0 s ASN 4 Cb 0.16 0.68 0.89 0.00 -2.00 0.00 0.00 41.25 40.99 1jr0 s ASN 4 CO 0.82 -1.23 1.92 -0.29 -2.94 0.00 0.00 177.10 175.38 1jr0 h ILE 5 N 2.00 1.16 -0.17 0.54 2.10 -1.96 -1.86 117.51 119.33 1jr0 h ILE 5 Ca -0.23 -0.92 -0.05 0.00 1.08 0.00 0.00 64.86 64.75 1jr0 h ILE 5 Cb 1.27 1.50 -0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1jr0 h ILE 5 CO 0.27 0.26 -0.07 0.74 -1.08 0.00 0.00 178.15 178.27 1jr0 h THR 6 N 0.00 1.31 -0.32 2.19 2.02 -1.99 0.11 112.91 116.23 1jr0 h THR 6 Ca -0.00 -1.11 -0.13 0.00 0.77 0.00 0.00 66.41 65.94 1jr0 h THR 6 Cb 0.48 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1jr0 h THR 6 CO 0.03 0.33 -0.32 0.44 0.37 0.00 0.00 175.52 176.38 1jr0 h ASP 7 N 0.04 0.71 -0.19 4.18 3.32 -1.96 -1.96 116.42 120.57 1jr0 h ASP 7 Ca 0.04 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1jr0 h ASP 7 Cb 0.55 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jr0 h ASP 7 CO 0.02 0.97 0.09 0.25 -1.72 0.00 0.00 179.24 178.86 1jr0 h LEU 8 N 0.58 0.25 -1.05 1.55 6.46 -1.16 -2.81 115.31 119.12 1jr0 h LEU 8 Ca 0.07 -0.13 0.12 0.00 -0.12 0.00 0.00 57.88 57.82 1jr0 h LEU 8 Cb 0.82 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.61 1jr0 h LEU 8 CO 0.07 0.30 0.62 0.00 -0.62 0.00 0.00 178.44 178.82 1jr0 n ALA 10 N -2.36 1.64 0.86 0.00 0.00 -0.76 -2.26 120.51 117.63 1jr0 n ALA 10 Ca 0.18 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1jr0 n ALA 10 Cb 0.36 -1.30 0.52 0.00 0.00 0.00 0.00 19.45 19.03 1jr0 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jr0 n GLU 11 N -1.84 0.03 -4.80 0.00 1.02 -0.69 -4.82 120.64 109.55 1jr0 n GLU 11 Ca 0.03 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1jr0 n GLU 11 Cb 0.19 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1jr0 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jr0 s TYR 12 N -2.96 2.63 0.57 -0.32 1.51 -0.96 -5.12 117.35 112.70 1jr0 s TYR 12 Ca 0.13 -0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 55.79 1jr0 s TYR 12 Cb 0.16 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1jr0 s TYR 12 CO 0.43 0.21 1.15 -1.01 -1.11 0.00 0.00 175.55 175.22 1jr0 s HIS 13 N -0.82 2.59 -1.19 2.71 3.76 -1.26 -4.08 115.29 116.99 1jr0 s HIS 13 Ca 0.13 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 56.56 1jr0 s HIS 13 Cb -0.11 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1jr0 s HIS 13 CO 0.03 -1.75 0.32 0.09 -0.85 0.00 0.00 174.74 172.58 1jr0 n ASN 14 N -1.52 -4.84 -4.58 1.40 5.03 -1.26 -4.98 115.26 104.51 1jr0 n ASN 14 Ca 0.12 -0.16 -0.25 0.00 0.87 0.00 0.00 54.58 55.16 1jr0 n ASN 14 Cb 0.51 -3.78 -0.10 0.00 -1.02 0.00 0.00 39.78 35.39 1jr0 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1jr0 s THR 15 N -2.94 2.42 0.15 3.41 -4.23 -1.26 -1.27 115.64 111.92 1jr0 s THR 15 Ca 0.16 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1jr0 s THR 15 Cb -0.07 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1jr0 s THR 15 CO 0.20 -0.21 0.40 0.00 -0.54 0.00 0.00 174.62 174.47 1jr0 s GLN 16 N -3.65 1.18 -0.06 3.99 -2.07 -0.16 -4.85 119.66 114.05 1jr0 s GLN 16 Ca 0.33 -0.88 -0.15 0.00 -1.82 0.00 0.00 55.36 52.85 1jr0 s GLN 16 Cb 0.01 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1jr0 s GLN 16 CO 0.18 -0.47 0.38 0.42 -1.32 0.00 0.00 175.29 174.48 1jr0 s ILE 17 N -3.87 5.13 -0.16 3.63 -1.09 -1.26 -1.45 121.20 122.14 1jr0 s ILE 17 Ca 0.08 0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 59.24 1jr0 s ILE 17 Cb 0.01 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1jr0 s ILE 17 CO -0.06 0.50 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.11 1jr0 s HIS 18 N -0.51 3.00 -0.32 3.97 3.76 -0.09 -5.00 115.29 120.11 1jr0 s HIS 18 Ca 0.22 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 1jr0 s HIS 18 Cb -0.15 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 1jr0 s HIS 18 CO 0.11 -0.07 0.18 0.99 -0.85 0.00 0.00 174.74 175.09 1jr0 s THR 19 N 0.40 4.81 -0.26 1.30 2.01 -1.26 -1.14 115.64 121.50 1jr0 s THR 19 Ca -0.05 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1jr0 s THR 19 Cb -0.14 -3.45 -0.13 0.00 0.01 0.00 0.00 72.50 68.79 1jr0 s THR 19 CO 0.03 0.06 -0.29 0.18 -0.69 0.00 0.00 174.62 173.90 1jr0 n LEU 20 N 5.02 2.27 -4.15 4.42 7.99 0.36 -5.01 117.00 127.89 1jr0 n LEU 20 Ca -0.14 0.15 -0.37 0.00 -0.01 0.00 0.00 56.01 55.64 1jr0 n LEU 20 Cb 0.49 -0.81 -0.03 0.00 -0.11 0.00 0.00 43.42 42.96 1jr0 n LEU 20 CO 0.34 0.68 -0.30 0.59 -1.51 0.00 0.00 177.39 177.20 1jr0 n ASN 21 N -3.83 -1.67 -3.51 -1.43 3.02 0.18 -4.94 115.26 103.08 1jr0 n ASN 21 Ca -0.49 -1.25 -0.13 0.00 -0.03 0.00 0.00 54.58 52.68 1jr0 n ASN 21 Cb 0.90 -1.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.19 1jr0 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jr0 s ASP 22 N -3.97 -0.49 0.71 6.41 2.15 -0.54 -4.90 116.67 116.03 1jr0 s ASP 22 Ca 0.24 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 1jr0 s ASP 22 Cb -0.13 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.05 1jr0 s ASP 22 CO 0.97 -0.84 1.07 -1.59 -0.17 0.00 0.00 175.17 174.62 1jr0 s LYS 23 N -3.07 2.78 0.15 4.34 -2.85 -1.26 -0.80 119.74 119.04 1jr0 s LYS 23 Ca -0.02 1.05 -0.30 0.00 -1.00 0.00 0.00 55.97 55.69 1jr0 s LYS 23 Cb -0.00 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.72 1jr0 s LYS 23 CO -0.07 -1.23 1.28 0.42 0.10 0.00 0.00 175.35 175.86 1jr0 s ILE 24 N -2.93 3.46 -0.00 3.79 1.01 -1.26 -4.70 121.20 120.56 1jr0 s ILE 24 Ca 0.60 1.14 -0.05 0.00 0.00 0.00 0.00 60.65 62.34 1jr0 s ILE 24 Cb -0.15 -3.73 -0.29 0.00 0.01 0.00 0.00 42.46 38.30 1jr0 s ILE 24 CO 0.53 0.14 0.83 0.15 0.00 0.00 0.00 174.94 176.60 1jr0 h PHE 25 N 5.94 0.53 -3.05 3.97 3.57 -1.07 -3.48 116.94 123.35 1jr0 h PHE 25 Ca -0.43 -0.39 -0.12 0.00 3.53 0.00 0.00 57.97 60.56 1jr0 h PHE 25 Cb 1.21 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1jr0 h PHE 25 CO 0.64 1.44 -0.29 -1.54 -2.23 0.00 0.00 178.31 176.33 1jr0 s SER 26 N -7.07 -0.19 -0.10 0.41 1.04 -1.02 -4.97 113.70 101.80 1jr0 s SER 26 Ca -0.10 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1jr0 s SER 26 Cb 0.06 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1jr0 s SER 26 CO 0.86 -0.42 -0.14 -0.47 0.98 0.00 0.00 173.24 174.05 1jr0 s TYR 27 N -1.21 1.81 -0.03 5.02 5.04 -1.26 -1.67 117.35 125.05 1jr0 s TYR 27 Ca -0.13 -0.82 0.04 0.00 -2.44 0.00 0.00 57.07 53.73 1jr0 s TYR 27 Cb -0.05 -1.33 -0.01 0.00 0.35 0.00 0.00 41.96 40.93 1jr0 s TYR 27 CO 0.04 -0.43 -0.16 0.99 -1.34 0.00 0.00 175.55 174.65 1jr0 s THR 28 N 0.97 1.30 0.01 4.34 2.01 0.23 -5.01 115.64 119.50 1jr0 s THR 28 Ca -0.08 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1jr0 s THR 28 Cb -0.15 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1jr0 s THR 28 CO -0.01 0.38 0.02 -1.83 -0.69 0.00 0.00 174.62 172.49 1jr0 s GLU 29 N -0.12 0.34 0.01 4.92 -1.05 -1.26 -0.72 118.70 120.82 1jr0 s GLU 29 Ca 0.01 -0.52 0.04 0.00 -0.15 0.00 0.00 54.97 54.35 1jr0 s GLU 29 Cb -0.09 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.72 1jr0 s GLU 29 CO 0.01 -0.06 -0.13 0.45 0.95 0.00 0.00 175.26 176.47 1jr0 s SER 30 N -1.36 1.55 0.00 0.83 0.15 -0.55 -5.02 113.70 109.30 1jr0 s SER 30 Ca -0.15 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 56.32 1jr0 s SER 30 Cb -0.09 -0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.25 1jr0 s SER 30 CO -0.00 0.11 1.02 0.00 1.20 0.00 0.00 173.24 175.56 1jr0 n LEU 31 N 2.44 2.36 -4.77 3.45 -0.00 -1.26 -3.02 117.00 116.19 1jr0 n LEU 31 Ca -0.16 -1.27 -0.41 0.00 -0.00 0.00 0.00 56.01 54.18 1jr0 n LEU 31 Cb 0.55 -0.07 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1jr0 n LEU 31 CO 0.24 0.49 1.11 0.00 -0.00 0.00 0.00 177.39 179.23 1jr0 s ALA 32 N -1.06 3.57 0.23 1.47 0.00 -1.26 -4.81 121.76 119.89 1jr0 s ALA 32 Ca 0.18 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.32 1jr0 s ALA 32 Cb 0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 1jr0 s ALA 32 CO 0.17 -0.94 1.69 0.20 0.00 0.00 0.00 175.76 176.87 1jr0 s GLY 33 N -0.16 1.47 0.00 0.00 0.00 -1.26 -0.99 107.32 106.38 1jr0 s GLY 33 Ca 0.53 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.83 1jr0 s GLY 33 CO 0.59 2.78 0.00 0.28 0.00 0.00 0.00 173.10 176.75 1jr0 n LYS 34 N 3.47 -0.49 -2.63 2.90 4.76 -1.26 -4.82 118.16 120.10 1jr0 n LYS 34 Ca 0.14 0.12 -0.07 0.00 -2.87 0.00 0.00 58.31 55.63 1jr0 n LYS 34 Cb 0.36 -3.62 0.04 0.00 -1.84 0.00 0.00 35.03 29.97 1jr0 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jr0 n ARG 35 N -1.62 2.15 -2.55 1.97 5.12 -0.16 -4.97 116.66 116.60 1jr0 n ARG 35 Ca 0.00 -3.67 -0.41 0.00 -1.93 0.00 0.00 57.85 51.84 1jr0 n ARG 35 Cb 0.12 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 29.65 1jr0 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1jr0 s GLU 36 N -3.69 3.67 0.19 5.56 8.01 -1.15 -4.39 118.70 126.91 1jr0 s GLU 36 Ca 0.33 -1.35 -0.12 0.00 0.01 0.00 0.00 54.97 53.84 1jr0 s GLU 36 Cb 0.36 -5.40 0.00 0.00 -4.31 0.00 0.00 34.13 24.77 1jr0 s GLU 36 CO -0.02 -2.26 0.39 0.00 0.01 0.00 0.00 175.26 173.38 1jr0 s MET 37 N 4.82 1.31 0.10 1.61 0.23 -1.17 -4.19 119.30 122.01 1jr0 s MET 37 Ca 0.49 -1.13 0.09 0.00 -1.03 0.00 0.00 55.69 54.11 1jr0 s MET 37 Cb 0.01 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1jr0 s MET 37 CO -0.05 -0.52 -0.23 0.00 -2.03 0.00 0.00 175.02 172.19 1jr0 s ALA 38 N -3.96 2.03 -0.04 3.16 0.00 -1.21 -1.49 121.76 120.25 1jr0 s ALA 38 Ca 0.17 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1jr0 s ALA 38 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1jr0 s ALA 38 CO 0.02 0.44 -0.13 0.42 0.00 0.00 0.00 175.76 176.51 1jr0 s ILE 39 N -1.03 1.16 0.17 0.00 1.01 0.10 -0.94 121.20 121.67 1jr0 s ILE 39 Ca 0.10 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.30 1jr0 s ILE 39 Cb -0.10 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1jr0 s ILE 39 CO 0.04 0.35 -0.21 0.27 0.00 0.00 0.00 174.94 175.38 1jr0 s ILE 40 N 0.26 2.06 0.14 2.92 -4.36 0.19 -0.60 121.20 121.81 1jr0 s ILE 40 Ca -0.07 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 1jr0 s ILE 40 Cb -0.12 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1jr0 s ILE 40 CO 0.02 -0.18 -0.10 0.42 0.24 0.00 0.00 174.94 175.34 1jr0 s THR 41 N -1.74 1.10 0.35 8.37 -4.23 -0.67 -1.11 115.64 117.72 1jr0 s THR 41 Ca 0.17 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1jr0 s THR 41 Cb -0.07 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 1jr0 s THR 41 CO 0.08 -0.76 0.11 -0.36 -0.54 0.00 0.00 174.62 173.15 1jr0 s PHE 42 N -3.37 2.64 0.45 3.99 0.08 -0.01 -0.45 117.98 121.31 1jr0 s PHE 42 Ca 0.16 -0.44 0.34 0.00 0.12 0.00 0.00 56.93 57.11 1jr0 s PHE 42 Cb 0.03 -1.65 1.75 0.00 -0.57 0.00 0.00 43.02 42.58 1jr0 s PHE 42 CO -0.00 0.35 2.16 1.57 -0.10 0.00 0.00 175.22 179.20 1jr0 h LYS 43 N 1.61 0.00 -0.01 0.44 2.10 -1.89 -0.72 116.57 118.10 1jr0 h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1jr0 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1jr0 h LYS 43 CO 0.66 0.05 0.00 0.27 -2.00 0.00 0.00 179.45 178.43 1jr0 n ASN 44 N -3.41 0.12 0.00 7.07 6.94 -1.26 -4.86 115.26 119.87 1jr0 n ASN 44 Ca -0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 1jr0 n ASN 44 Cb 0.19 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1jr0 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jr0 n GLY 45 N 0.77 0.73 3.74 4.83 0.00 -0.28 -5.04 105.19 109.95 1jr0 n GLY 45 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jr0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jr0 s ALA 46 N -2.30 3.69 -0.04 4.61 0.00 -1.25 -4.74 121.76 121.73 1jr0 s ALA 46 Ca 0.00 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1jr0 s ALA 46 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1jr0 s ALA 46 CO 0.00 -0.82 -0.21 0.99 0.00 0.00 0.00 175.76 175.73 1jr0 s THR 47 N 0.21 1.70 0.03 0.00 2.01 -1.26 -0.83 115.64 117.50 1jr0 s THR 47 Ca 0.62 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1jr0 s THR 47 Cb -0.44 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1jr0 s THR 47 CO 0.42 0.48 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.42 1jr0 s PHE 48 N -0.17 0.44 0.13 4.92 0.08 -0.26 -4.01 117.98 119.12 1jr0 s PHE 48 Ca -0.01 -0.44 0.09 0.00 0.12 0.00 0.00 56.93 56.70 1jr0 s PHE 48 Cb -0.11 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.02 1jr0 s PHE 48 CO 0.02 -0.11 -0.16 1.14 -0.10 0.00 0.00 175.22 176.01 1jr0 s GLN 49 N -1.28 1.84 -0.34 0.44 -2.07 -0.56 -0.64 119.66 117.05 1jr0 s GLN 49 Ca -0.10 -1.21 -0.16 0.00 -1.82 0.00 0.00 55.36 52.06 1jr0 s GLN 49 Cb -0.08 -2.12 -0.01 0.00 -1.09 0.00 0.00 33.01 29.71 1jr0 s GLN 49 CO -0.00 0.47 0.42 0.08 -1.32 0.00 0.00 175.29 174.94 1jr0 s VAL 50 N -1.30 5.11 0.63 3.63 1.01 -0.11 -0.62 120.40 128.75 1jr0 s VAL 50 Ca 0.20 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 1jr0 s VAL 50 Cb -0.10 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1jr0 s VAL 50 CO 0.11 -0.12 1.20 -1.61 0.00 0.00 0.00 175.10 174.69 1jr0 s GLU 51 N 2.17 2.74 0.22 2.72 2.02 -1.26 -3.31 118.70 123.99 1jr0 s GLU 51 Ca 0.15 1.79 -0.32 0.00 0.02 0.00 0.00 54.97 56.61 1jr0 s GLU 51 Cb -0.16 -1.90 -0.13 0.00 0.10 0.00 0.00 34.13 32.03 1jr0 s GLU 51 CO 0.12 -1.38 1.53 0.28 0.02 0.00 0.00 175.26 175.83 1jr0 n VAL 52 N -1.94 0.55 -1.95 2.63 0.31 -1.26 -4.89 118.33 111.78 1jr0 n VAL 52 Ca 0.13 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 1jr0 n VAL 52 Cb 0.50 -1.62 -0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1jr0 n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1jr0 s PRO 53 N 0.17 4.10 0.13 5.55 0.02 -1.26 -4.94 135.00 138.76 1jr0 s PRO 53 Ca 0.72 2.35 -0.17 0.00 0.02 0.00 0.00 61.00 63.92 1jr0 s PRO 53 Cb -0.62 -2.91 0.06 0.00 0.02 0.00 0.00 34.50 31.05 1jr0 s PRO 53 CO 0.44 -0.46 0.81 0.41 -0.33 0.00 0.00 177.00 177.87 1jr0 n GLY 54 N 0.62 0.72 0.27 0.52 0.00 -1.26 -5.04 105.19 101.02 1jr0 n GLY 54 Ca 0.02 -1.09 0.18 0.00 0.00 0.00 0.00 46.02 45.13 1jr0 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jr0 h SER 55 N 1.51 0.00 1.06 1.61 4.64 -2.03 -1.20 113.55 119.14 1jr0 h SER 55 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1jr0 h SER 55 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jr0 h SER 55 CO 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1jr0 n GLN 56 N -2.96 0.13 -3.82 4.77 0.00 -1.26 -4.81 117.38 109.43 1jr0 n GLN 56 Ca -0.00 0.19 -0.37 0.00 0.00 0.00 0.00 57.00 56.82 1jr0 n GLN 56 Cb 0.24 -1.68 -0.06 0.00 0.00 0.00 0.00 30.24 28.73 1jr0 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1jr0 s HIS 57 N -3.10 3.59 0.59 2.61 3.76 -0.46 -5.10 115.29 117.20 1jr0 s HIS 57 Ca 0.10 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.53 1jr0 s HIS 57 Cb 0.13 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.84 1jr0 s HIS 57 CO 0.49 0.68 0.89 0.96 -0.85 0.00 0.00 174.74 176.91 1jr0 s ILE 58 N -0.88 3.30 0.22 0.60 -4.36 -1.26 -4.89 121.20 113.94 1jr0 s ILE 58 Ca 0.15 -0.18 -0.07 0.00 -0.26 0.00 0.00 60.65 60.29 1jr0 s ILE 58 Cb -0.12 -3.32 0.18 0.00 1.25 0.00 0.00 42.46 40.45 1jr0 s ILE 58 CO 0.04 -0.31 1.76 -0.78 0.24 0.00 0.00 174.94 175.90 1jr0 h ASP 59 N -0.17 0.36 0.00 4.36 3.58 -1.99 -0.25 116.42 122.30 1jr0 h ASP 59 Ca -0.45 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1jr0 h ASP 59 Cb 1.27 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1jr0 h ASP 59 CO 0.59 0.19 0.10 0.77 -2.88 0.00 0.00 179.24 178.02 1jr0 h SER 60 N 0.51 0.00 1.51 2.28 4.64 -2.05 -0.10 113.55 120.34 1jr0 h SER 60 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1jr0 h SER 60 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1jr0 h SER 60 CO -0.31 0.00 -0.19 1.56 -0.87 0.00 0.00 176.83 177.02 1jr0 h GLN 61 N 0.00 0.00 -0.16 4.77 4.20 -1.41 -3.37 115.11 119.14 1jr0 h GLN 61 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1jr0 h GLN 61 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1jr0 h GLN 61 CO 0.00 0.00 0.08 0.87 -0.67 0.00 0.00 178.83 179.11 1jr0 h LYS 62 N 0.00 0.23 -0.48 1.46 1.79 -1.06 0.83 116.57 119.34 1jr0 h LYS 62 Ca 0.00 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1jr0 h LYS 62 Cb 0.85 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1jr0 h LYS 62 CO 0.00 0.28 0.19 0.87 -1.08 0.00 0.00 179.45 179.70 1jr0 h LYS 63 N 0.13 0.69 -0.07 3.15 1.57 -1.75 -2.79 116.57 117.49 1jr0 h LYS 63 Ca 0.05 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1jr0 h LYS 63 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jr0 h LYS 63 CO -0.01 0.58 -0.52 0.00 -0.57 0.00 0.00 179.45 178.93 1jr0 h ALA 64 N 1.52 0.99 -0.54 3.86 0.00 -1.54 -0.47 119.26 123.08 1jr0 h ALA 64 Ca 0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1jr0 h ALA 64 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jr0 h ALA 64 CO -0.02 0.67 0.21 0.82 0.00 0.00 0.00 179.25 180.93 1jr0 h ILE 65 N 0.16 1.22 -0.61 0.00 2.04 -0.60 -0.52 117.51 119.19 1jr0 h ILE 65 Ca 0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1jr0 h ILE 65 Cb 0.97 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1jr0 h ILE 65 CO 0.08 0.26 0.21 -0.33 0.00 0.00 0.00 178.15 178.37 1jr0 h GLU 66 N 0.73 0.94 -0.87 2.37 4.39 -1.26 -2.27 114.58 118.62 1jr0 h GLU 66 Ca 0.18 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1jr0 h GLU 66 Cb 0.20 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1jr0 h GLU 66 CO -0.01 0.83 0.49 -0.09 -1.16 0.00 0.00 179.01 179.06 1jr0 h ARG 67 N 0.87 1.21 -0.52 2.33 2.43 -0.85 -2.23 114.38 117.62 1jr0 h ARG 67 Ca 0.20 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1jr0 h ARG 67 Cb 0.26 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1jr0 h ARG 67 CO -0.01 0.88 0.31 1.98 -1.51 0.00 0.00 179.97 181.62 1jr0 h MET 68 N 1.22 0.71 -0.54 0.20 4.05 -0.64 0.92 114.93 120.85 1jr0 h MET 68 Ca 0.31 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1jr0 h MET 68 Cb 0.01 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1jr0 h MET 68 CO -0.05 0.53 0.18 0.87 0.23 0.00 0.00 176.91 178.67 1jr0 h LYS 69 N 0.70 0.80 -0.51 0.39 1.57 -1.21 -0.02 116.57 118.28 1jr0 h LYS 69 Ca 0.19 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jr0 h LYS 69 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1jr0 h LYS 69 CO -0.03 0.68 0.31 -0.44 -0.57 0.00 0.00 179.45 179.40 1jr0 h ASP 70 N 0.78 0.61 -0.49 0.86 3.32 -0.72 -2.29 116.42 118.49 1jr0 h ASP 70 Ca 0.18 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1jr0 h ASP 70 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1jr0 h ASP 70 CO -0.01 0.48 0.08 0.74 -1.72 0.00 0.00 179.24 178.81 1jr0 h THR 71 N 0.69 1.25 -0.41 0.35 2.02 -0.28 -2.15 112.91 114.38 1jr0 h THR 71 Ca 0.18 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 1jr0 h THR 71 Cb -0.02 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1jr0 h THR 71 CO -0.04 0.33 -0.09 -0.07 0.37 0.00 0.00 175.52 176.02 1jr0 h LEU 72 N 0.69 0.70 -0.11 2.58 3.38 -0.91 0.47 115.31 122.12 1jr0 h LEU 72 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jr0 h LEU 72 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jr0 h LEU 72 CO 0.01 0.83 0.05 -0.09 0.09 0.00 0.00 178.44 179.32 1jr0 h ARG 73 N 0.66 0.16 -0.08 1.13 2.43 -1.25 -0.04 114.38 117.39 1jr0 h ARG 73 Ca 0.12 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 1jr0 h ARG 73 Cb 0.54 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1jr0 h ARG 73 CO 0.03 0.27 -0.70 0.97 -1.51 0.00 0.00 179.97 179.03 1jr0 h ILE 74 N 0.02 1.38 -0.47 1.20 6.09 -1.28 -1.33 117.51 123.12 1jr0 h ILE 74 Ca 0.04 -2.10 0.03 0.00 -1.37 0.00 0.00 64.86 61.46 1jr0 h ILE 74 Cb 0.16 2.07 -0.04 0.00 0.47 0.00 0.00 36.82 39.49 1jr0 h ILE 74 CO -0.00 0.63 0.26 0.00 -3.07 0.00 0.00 178.15 175.97 1jr0 h ALA 75 N 0.98 0.60 -0.01 0.18 0.00 -0.83 -0.80 119.26 119.37 1jr0 h ALA 75 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jr0 h ALA 75 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1jr0 h ALA 75 CO 0.12 -0.06 -0.08 -0.92 0.00 0.00 0.00 179.25 178.30 1jr0 h TYR 76 N 0.52 -0.21 0.00 0.00 3.20 -0.69 -0.76 116.97 119.04 1jr0 h TYR 76 Ca 0.20 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1jr0 h TYR 76 Cb 0.06 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1jr0 h TYR 76 CO -0.08 -0.13 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.89 1jr0 h LEU 77 N -0.14 0.00 -1.51 2.82 3.38 -0.98 -2.67 115.31 116.21 1jr0 h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jr0 h LEU 77 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jr0 h LEU 77 CO -0.10 0.35 -0.03 0.35 0.09 0.00 0.00 178.44 179.10 1jr0 n THR 78 N -3.71 0.00 -2.57 0.22 -2.24 -0.33 -4.95 114.28 100.69 1jr0 n THR 78 Ca -0.01 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 1jr0 n THR 78 Cb 0.44 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1jr0 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jr0 n GLU 79 N 0.82 -2.55 -1.89 -0.78 1.02 -0.37 -4.93 120.64 111.95 1jr0 n GLU 79 Ca 0.15 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.82 1jr0 n GLU 79 Cb 0.50 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 26.25 1jr0 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jr0 s ALA 80 N -3.04 3.72 0.05 0.62 0.00 -0.72 -4.74 121.76 117.66 1jr0 s ALA 80 Ca 0.08 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.18 1jr0 s ALA 80 Cb -0.04 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1jr0 s ALA 80 CO 0.10 -0.85 1.45 0.21 0.00 0.00 0.00 175.76 176.67 1jr0 s LYS 81 N -0.00 4.27 -0.16 0.00 2.20 -1.26 -4.26 119.74 120.53 1jr0 s LYS 81 Ca 0.64 2.07 -0.23 0.00 -0.36 0.00 0.00 55.97 58.10 1jr0 s LYS 81 Cb -0.45 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1jr0 s LYS 81 CO 0.42 -0.57 0.70 0.08 -0.36 0.00 0.00 175.35 175.61 1jr0 s VAL 82 N 2.08 4.99 -0.02 4.02 1.01 0.02 -3.53 120.40 128.97 1jr0 s VAL 82 Ca 0.66 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 1jr0 s VAL 82 Cb -0.35 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1jr0 s VAL 82 CO 0.29 0.12 -0.01 -0.08 0.00 0.00 0.00 175.10 175.42 1jr0 h GLU 83 N 7.26 0.00 -4.95 2.72 4.81 -1.13 0.84 114.58 124.13 1jr0 h GLU 83 Ca -0.33 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.58 1jr0 h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1jr0 h GLU 83 CO 0.79 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.48 1jr0 s LYS 84 N -1.10 0.79 -0.08 1.92 1.02 -1.13 -0.49 119.74 120.67 1jr0 s LYS 84 Ca -0.00 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 54.97 1jr0 s LYS 84 Cb 0.00 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 1jr0 s LYS 84 CO 0.01 0.09 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.79 1jr0 s LEU 85 N -2.20 2.20 -0.18 3.17 1.43 -0.29 -0.78 118.68 122.03 1jr0 s LEU 85 Ca 0.02 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1jr0 s LEU 85 Cb -0.05 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1jr0 s LEU 85 CO 0.00 0.21 0.44 0.00 0.23 0.00 0.00 176.35 177.23 1jr0 s VAL 87 N 1.18 1.06 -0.27 0.00 -7.23 -0.53 -0.34 120.40 114.28 1jr0 s VAL 87 Ca 0.22 -1.78 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 1jr0 s VAL 87 Cb -0.15 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1jr0 s VAL 87 CO 0.09 -0.60 0.96 0.26 -0.31 0.00 0.00 175.10 175.50 1jr0 s TRP 88 N -2.68 3.25 -0.35 2.82 0.51 0.31 -0.99 118.94 121.82 1jr0 s TRP 88 Ca 0.09 1.20 0.08 0.00 -2.12 0.00 0.00 56.10 55.36 1jr0 s TRP 88 Cb -0.01 -3.34 0.68 0.00 -0.81 0.00 0.00 33.47 29.98 1jr0 s TRP 88 CO 0.00 -0.56 1.77 0.27 -0.51 0.00 0.00 176.95 177.92 1jr0 n ASN 89 N 6.40 4.11 -1.42 2.95 0.23 -0.40 -1.80 115.26 125.32 1jr0 n ASN 89 Ca 0.09 -3.41 0.00 0.00 -0.53 0.00 0.00 54.58 50.73 1jr0 n ASN 89 Cb 0.47 -0.75 0.27 0.00 -2.08 0.00 0.00 39.78 37.69 1jr0 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1jr0 n ASN 90 N -0.63 4.05 -4.05 0.53 6.94 -1.26 -4.96 115.26 115.89 1jr0 n ASN 90 Ca 0.44 -3.25 -0.10 0.00 -0.02 0.00 0.00 54.58 51.66 1jr0 n ASN 90 Cb 1.40 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 38.06 1jr0 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jr0 s LYS 91 N -2.98 0.49 -0.13 -3.83 -0.14 -1.25 -5.09 119.74 106.81 1jr0 s LYS 91 Ca 0.48 -0.87 0.01 0.00 -1.36 0.00 0.00 55.97 54.23 1jr0 s LYS 91 Cb 0.40 0.00 0.02 0.00 -1.68 0.00 0.00 37.83 36.57 1jr0 s LYS 91 CO 0.09 -0.04 -0.13 0.99 -0.76 0.00 0.00 175.35 175.51 1jr0 s THR 92 N -2.26 1.42 0.94 2.17 2.01 -1.26 -3.10 115.64 115.56 1jr0 s THR 92 Ca -0.06 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1jr0 s THR 92 Cb -0.04 -1.34 0.16 0.00 0.01 0.00 0.00 72.50 71.29 1jr0 s THR 92 CO -0.03 0.43 1.13 -2.84 -0.69 0.00 0.00 174.62 172.62 1jr0 s PRO 93 N 1.39 0.79 0.44 4.92 0.02 -1.26 -5.05 135.00 136.25 1jr0 s PRO 93 Ca 0.02 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.26 1jr0 s PRO 93 Cb -0.13 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 1jr0 s PRO 93 CO -0.08 -2.76 1.06 0.72 -0.33 0.00 0.00 177.00 175.62 1jr0 n HIS 94 N -4.31 1.34 -3.71 6.54 8.25 -1.18 -4.53 115.22 117.62 1jr0 n HIS 94 Ca 0.11 0.53 -0.35 0.00 -0.26 0.00 0.00 57.72 57.75 1jr0 n HIS 94 Cb 0.52 -2.25 -0.08 0.00 1.12 0.00 0.00 29.99 29.30 1jr0 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jr0 s ALA 95 N -1.28 3.67 0.05 -1.41 0.00 -0.75 -1.50 121.76 120.54 1jr0 s ALA 95 Ca 0.64 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 1jr0 s ALA 95 Cb -0.53 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1jr0 s ALA 95 CO 0.56 0.06 1.24 0.42 0.00 0.00 0.00 175.76 178.04 1jr0 s ILE 96 N 0.56 3.94 -0.16 0.00 1.01 0.21 -0.53 121.20 126.23 1jr0 s ILE 96 Ca 0.08 1.38 0.08 0.00 0.00 0.00 0.00 60.65 62.19 1jr0 s ILE 96 Cb -0.12 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 1jr0 s ILE 96 CO -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 174.94 174.99 1jr0 n ALA 97 N 4.16 1.63 -3.39 9.38 0.00 0.54 -4.81 120.51 128.03 1jr0 n ALA 97 Ca 0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1jr0 n ALA 97 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1jr0 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jr0 s ALA 98 N -2.35 -1.54 0.01 0.00 0.00 -0.82 -4.97 121.76 112.08 1jr0 s ALA 98 Ca -0.14 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1jr0 s ALA 98 Cb 0.05 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1jr0 s ALA 98 CO 0.52 -0.67 -0.08 -1.50 0.00 0.00 0.00 175.76 174.02 1jr0 s ILE 99 N -3.25 0.62 -0.01 0.00 2.07 -1.26 -1.02 121.20 118.35 1jr0 s ILE 99 Ca -0.01 -0.49 0.07 0.00 -1.41 0.00 0.00 60.65 58.81 1jr0 s ILE 99 Cb -0.01 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 1jr0 s ILE 99 CO -0.08 0.06 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.84 1jr0 s SER 100 N -0.48 2.75 -0.06 4.50 1.04 0.04 -5.00 113.70 116.48 1jr0 s SER 100 Ca 0.01 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1jr0 s SER 100 Cb -0.04 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 1jr0 s SER 100 CO -0.00 0.27 -0.19 -0.04 0.98 0.00 0.00 173.24 174.27 1jr0 s MET 101 N -0.68 2.13 -0.04 4.02 -1.94 -1.26 -0.70 119.30 120.83 1jr0 s MET 101 Ca 0.09 -0.66 -0.30 0.00 -1.71 0.00 0.00 55.69 53.11 1jr0 s MET 101 Cb -0.09 -1.76 0.08 0.00 2.01 0.00 0.00 34.83 35.07 1jr0 s MET 101 CO -0.00 0.21 0.73 0.00 -0.01 0.00 0.00 175.02 175.94 1jr0 s ALA 102 N 0.20 -1.77 0.00 3.03 0.00 -1.23 -4.88 121.76 117.11 1jr0 s ALA 102 Ca -0.09 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1jr0 s ALA 102 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1jr0 s ALA 102 CO 0.04 -0.43 0.00 0.09 0.00 0.00 0.00 175.76 175.46