#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr0 n PRO 2 N 0.00 2.16 0.18 -2.82 -0.02 -1.26 -4.92 135.00 128.32 1jr0 n PRO 2 Ca 0.00 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 1jr0 n PRO 2 Cb 0.00 -2.56 0.11 0.00 -0.02 0.00 0.00 33.50 31.03 1jr0 n PRO 2 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1jr0 h GLN 3 N 2.23 0.00 -2.67 -0.52 1.08 -2.02 -3.49 115.11 109.72 1jr0 h GLN 3 Ca -0.50 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.82 1jr0 h GLN 3 Cb 1.28 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.65 1jr0 h GLN 3 CO 0.61 0.03 0.37 0.54 -0.95 0.00 0.00 178.83 179.43 1jr0 s ASN 4 N -6.00 -0.19 0.41 1.46 2.20 -1.26 -5.05 114.94 106.51 1jr0 s ASN 4 Ca 0.05 -0.55 0.13 0.00 -0.94 0.00 0.00 52.86 51.54 1jr0 s ASN 4 Cb 0.06 0.61 0.86 0.00 -2.00 0.00 0.00 41.25 40.78 1jr0 s ASN 4 CO 0.71 -1.15 1.92 -0.29 -2.94 0.00 0.00 177.10 175.35 1jr0 h ILE 5 N 2.00 1.18 -0.13 0.54 2.10 -1.96 -1.94 117.51 119.30 1jr0 h ILE 5 Ca -0.23 -0.87 -0.04 0.00 1.08 0.00 0.00 64.86 64.81 1jr0 h ILE 5 Cb 1.24 1.41 -0.00 0.00 -1.09 0.00 0.00 36.82 38.38 1jr0 h ILE 5 CO 0.26 0.25 -0.07 0.74 -1.08 0.00 0.00 178.15 178.25 1jr0 h THR 6 N 0.06 1.32 -0.67 2.19 2.02 -1.99 0.15 112.91 115.98 1jr0 h THR 6 Ca 0.01 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 1jr0 h THR 6 Cb 0.44 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1jr0 h THR 6 CO 0.03 0.32 0.14 0.44 0.37 0.00 0.00 175.52 176.82 1jr0 h ASP 7 N -0.06 1.04 -0.19 4.18 3.32 -1.93 -2.17 116.42 120.61 1jr0 h ASP 7 Ca 0.03 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1jr0 h ASP 7 Cb 0.54 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1jr0 h ASP 7 CO 0.02 1.01 0.11 0.25 -1.72 0.00 0.00 179.24 178.91 1jr0 h LEU 8 N 1.03 0.22 -1.43 1.55 6.46 -1.21 -2.80 115.31 119.13 1jr0 h LEU 8 Ca 0.21 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1jr0 h LEU 8 Cb 0.40 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1jr0 h LEU 8 CO 0.01 0.21 0.41 0.00 -0.62 0.00 0.00 178.44 178.45 1jr0 h ALA 10 N 1.64 1.00 0.00 0.00 0.00 -1.12 -2.61 119.26 118.17 1jr0 h ALA 10 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jr0 h ALA 10 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jr0 h ALA 10 CO -0.07 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1jr0 n GLU 11 N -2.47 0.05 -4.72 0.00 1.02 -0.65 -4.82 120.64 109.05 1jr0 n GLU 11 Ca 0.01 0.19 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1jr0 n GLU 11 Cb 0.22 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.91 2.35 0.69 -0.32 1.51 -0.98 -5.14 117.35 112.54 1jr0 s TYR 12 Ca 0.10 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 1jr0 s TYR 12 Cb 0.11 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1jr0 s TYR 12 CO 0.30 0.21 1.06 -1.01 -1.11 0.00 0.00 175.55 175.00 1jr0 s HIS 13 N -0.90 3.24 -1.54 2.71 3.76 -1.26 -4.19 115.29 117.11 1jr0 s HIS 13 Ca 0.13 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 1jr0 s HIS 13 Cb -0.10 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.69 1jr0 s HIS 13 CO 0.04 -1.16 0.00 0.09 -0.85 0.00 0.00 174.74 172.86 1jr0 n ASN 14 N -3.06 -5.10 -4.55 1.40 3.02 -1.26 -4.96 115.26 100.75 1jr0 n ASN 14 Ca 0.07 0.05 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 1jr0 n ASN 14 Cb 0.55 -4.18 -0.09 0.00 -0.61 0.00 0.00 39.78 35.45 1jr0 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jr0 s THR 15 N -2.84 2.88 0.10 3.41 -4.23 -1.26 -0.71 115.64 113.00 1jr0 s THR 15 Ca 0.00 -2.18 -0.16 0.00 -1.18 0.00 0.00 61.69 58.17 1jr0 s THR 15 Cb 0.00 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1jr0 s THR 15 CO 0.00 -0.38 0.39 0.00 -0.54 0.00 0.00 174.62 174.09 1jr0 s GLN 16 N -3.59 1.01 -0.13 3.99 -2.07 -0.24 -4.89 119.66 113.74 1jr0 s GLN 16 Ca 0.31 -0.63 -0.16 0.00 -1.82 0.00 0.00 55.36 53.06 1jr0 s GLN 16 Cb -0.05 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1jr0 s GLN 16 CO 0.17 -0.38 0.40 0.42 -1.32 0.00 0.00 175.29 174.58 1jr0 s ILE 17 N -3.44 5.23 -0.17 3.63 -1.09 -1.26 -1.09 121.20 123.01 1jr0 s ILE 17 Ca 0.01 0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 59.16 1jr0 s ILE 17 Cb 0.01 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1jr0 s ILE 17 CO -0.09 0.36 -0.02 -1.00 -1.23 0.00 0.00 174.94 172.96 1jr0 s HIS 18 N 0.49 3.06 -0.29 3.97 3.76 -0.08 -4.99 115.29 121.20 1jr0 s HIS 18 Ca 0.22 -0.28 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 1jr0 s HIS 18 Cb -0.14 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 1jr0 s HIS 18 CO 0.08 -0.05 0.10 0.99 -0.85 0.00 0.00 174.74 175.01 1jr0 s THR 19 N 0.48 4.29 -0.16 1.30 2.01 -1.26 -0.99 115.64 121.31 1jr0 s THR 19 Ca -0.02 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1jr0 s THR 19 Cb -0.14 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 1jr0 s THR 19 CO 0.02 0.16 -0.18 0.18 -0.69 0.00 0.00 174.62 174.11 1jr0 n LEU 20 N 4.92 1.69 -4.08 4.42 4.77 0.59 -5.01 117.00 124.31 1jr0 n LEU 20 Ca -0.15 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1jr0 n LEU 20 Cb 0.49 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1jr0 n LEU 20 CO 0.32 0.46 -0.23 0.59 -1.33 0.00 0.00 177.39 177.20 1jr0 n ASN 21 N -3.47 -0.77 -3.63 -1.43 3.02 0.38 -4.96 115.26 104.41 1jr0 n ASN 21 Ca -0.30 -1.05 -0.12 0.00 -0.03 0.00 0.00 54.58 53.08 1jr0 n ASN 21 Cb 0.74 -2.74 -0.05 0.00 -0.61 0.00 0.00 39.78 37.11 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 -4.13 -0.29 0.78 6.41 2.15 -0.70 -4.90 116.67 115.99 1jr0 s ASP 22 Ca 0.17 -0.13 -0.11 0.00 0.43 0.00 0.00 52.55 52.91 1jr0 s ASP 22 Cb -0.09 0.47 0.06 0.00 -0.30 0.00 0.00 42.92 43.05 1jr0 s ASP 22 CO 0.92 -0.78 1.08 -1.59 -0.17 0.00 0.00 175.17 174.63 1jr0 s LYS 23 N -3.17 2.22 0.14 4.34 -2.85 -1.26 -1.11 119.74 118.04 1jr0 s LYS 23 Ca -0.01 0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 55.58 1jr0 s LYS 23 Cb 0.00 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.79 1jr0 s LYS 23 CO -0.07 -1.60 1.20 0.42 0.10 0.00 0.00 175.35 175.39 1jr0 s ILE 24 N -3.01 3.73 -0.02 3.79 1.01 -1.26 -4.66 121.20 120.78 1jr0 s ILE 24 Ca 0.61 1.37 -0.05 0.00 0.00 0.00 0.00 60.65 62.58 1jr0 s ILE 24 Cb -0.16 -3.88 -0.28 0.00 0.01 0.00 0.00 42.46 38.15 1jr0 s ILE 24 CO 0.56 0.18 0.75 0.15 0.00 0.00 0.00 174.94 176.58 1jr0 h PHE 25 N 5.82 0.51 -3.53 3.97 3.57 -1.12 -3.47 116.94 122.69 1jr0 h PHE 25 Ca -0.43 -0.38 -0.12 0.00 3.53 0.00 0.00 57.97 60.57 1jr0 h PHE 25 Cb 1.21 -0.02 -0.18 0.00 2.79 0.00 0.00 35.95 39.75 1jr0 h PHE 25 CO 0.64 1.48 -0.42 -1.54 -2.23 0.00 0.00 178.31 176.24 1jr0 s SER 26 N -7.03 0.03 -0.08 0.41 1.04 -0.98 -4.97 113.70 102.11 1jr0 s SER 26 Ca -0.12 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1jr0 s SER 26 Cb 0.06 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1jr0 s SER 26 CO 0.85 -0.50 -0.08 -0.47 0.98 0.00 0.00 173.24 174.02 1jr0 s TYR 27 N -2.20 1.27 -0.04 5.02 5.04 -1.26 -1.84 117.35 123.33 1jr0 s TYR 27 Ca -0.08 -0.53 0.04 0.00 -2.44 0.00 0.00 57.07 54.06 1jr0 s TYR 27 Cb -0.03 -1.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.23 1jr0 s TYR 27 CO -0.02 -0.37 -0.17 0.99 -1.34 0.00 0.00 175.55 174.64 1jr0 s THR 28 N 1.30 1.43 0.02 4.34 2.01 0.23 -5.00 115.64 119.97 1jr0 s THR 28 Ca -0.03 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1jr0 s THR 28 Cb -0.14 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1jr0 s THR 28 CO -0.03 0.41 -0.04 -1.83 -0.69 0.00 0.00 174.62 172.44 1jr0 s GLU 29 N 0.03 0.36 -0.01 4.92 -1.05 -1.26 -0.71 118.70 120.97 1jr0 s GLU 29 Ca -0.04 -0.58 0.04 0.00 -0.15 0.00 0.00 54.97 54.24 1jr0 s GLU 29 Cb -0.11 -0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.51 1jr0 s GLU 29 CO 0.02 -0.00 -0.13 0.45 0.95 0.00 0.00 175.26 176.55 1jr0 s SER 30 N -1.29 1.51 0.00 0.83 0.15 -0.49 -5.02 113.70 109.38 1jr0 s SER 30 Ca -0.12 -0.23 0.14 0.00 0.70 0.00 0.00 55.95 56.44 1jr0 s SER 30 Cb -0.09 -0.21 0.21 0.00 -1.71 0.00 0.00 66.02 64.23 1jr0 s SER 30 CO -0.00 0.15 1.08 0.00 1.20 0.00 0.00 173.24 175.67 1jr0 n LEU 31 N 2.84 2.54 -4.77 3.45 -0.00 -1.26 -2.98 117.00 116.82 1jr0 n LEU 31 Ca -0.15 -1.33 -0.41 0.00 -0.00 0.00 0.00 56.01 54.13 1jr0 n LEU 31 Cb 0.55 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1jr0 n LEU 31 CO 0.25 0.53 1.09 0.00 -0.00 0.00 0.00 177.39 179.26 1jr0 s ALA 32 N -1.14 3.46 0.22 1.47 0.00 -1.26 -4.80 121.76 119.71 1jr0 s ALA 32 Ca 0.21 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1jr0 s ALA 32 Cb 0.13 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1jr0 s ALA 32 CO 0.19 -1.03 1.59 0.20 0.00 0.00 0.00 175.76 176.70 1jr0 s GLY 33 N -0.31 1.76 0.00 0.00 0.00 -1.26 -1.07 107.32 106.44 1jr0 s GLY 33 Ca 0.55 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.73 1jr0 s GLY 33 CO 0.60 2.60 0.00 0.28 0.00 0.00 0.00 173.10 176.58 1jr0 n LYS 34 N 3.23 0.00 -2.49 2.90 4.76 -1.26 -4.82 118.16 120.47 1jr0 n LYS 34 Ca 0.12 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1jr0 n LYS 34 Cb 0.38 -2.81 0.03 0.00 -1.84 0.00 0.00 35.03 30.78 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 -2.00 2.51 -2.74 1.97 5.12 -0.23 -4.96 116.66 116.32 1jr0 n ARG 35 Ca 0.00 -3.83 -0.43 0.00 -1.93 0.00 0.00 57.85 51.66 1jr0 n ARG 35 Cb 0.00 -1.87 -0.02 0.00 -1.16 0.00 0.00 32.46 29.41 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 -3.59 3.72 0.23 5.56 8.01 -1.16 -4.32 118.70 127.14 1jr0 s GLU 36 Ca 0.38 -1.66 -0.07 0.00 0.01 0.00 0.00 54.97 53.63 1jr0 s GLU 36 Cb 0.38 -5.19 -0.02 0.00 -4.31 0.00 0.00 34.13 24.99 1jr0 s GLU 36 CO -0.02 -2.01 0.32 0.00 0.01 0.00 0.00 175.26 173.56 1jr0 s MET 37 N 3.62 1.40 0.09 1.61 0.23 -1.16 -4.13 119.30 120.97 1jr0 s MET 37 Ca 0.42 -1.44 0.07 0.00 -1.03 0.00 0.00 55.69 53.71 1jr0 s MET 37 Cb -0.01 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 1jr0 s MET 37 CO -0.06 -0.53 -0.18 0.00 -2.03 0.00 0.00 175.02 172.22 1jr0 s ALA 38 N -4.06 1.54 -0.04 3.16 0.00 -1.17 -1.40 121.76 119.79 1jr0 s ALA 38 Ca 0.30 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1jr0 s ALA 38 Cb 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1jr0 s ALA 38 CO 0.11 0.26 -0.07 0.42 0.00 0.00 0.00 175.76 176.48 1jr0 s ILE 39 N -1.30 0.68 0.16 0.00 1.01 0.11 -1.04 121.20 120.83 1jr0 s ILE 39 Ca 0.03 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.53 1jr0 s ILE 39 Cb -0.10 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1jr0 s ILE 39 CO 0.03 0.24 -0.22 0.27 0.00 0.00 0.00 174.94 175.26 1jr0 s ILE 40 N 0.53 2.06 0.16 2.92 -4.36 -0.12 -0.60 121.20 121.78 1jr0 s ILE 40 Ca -0.08 -1.90 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 1jr0 s ILE 40 Cb -0.12 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 1jr0 s ILE 40 CO 0.01 -0.16 -0.08 0.42 0.24 0.00 0.00 174.94 175.36 1jr0 s THR 41 N -1.68 1.11 0.34 8.37 -4.23 -0.77 -1.07 115.64 117.70 1jr0 s THR 41 Ca 0.16 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 1jr0 s THR 41 Cb -0.08 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1jr0 s THR 41 CO 0.08 -0.68 0.19 -0.36 -0.54 0.00 0.00 174.62 173.30 1jr0 s PHE 42 N -3.37 2.77 0.42 3.99 0.08 -0.45 -0.53 117.98 120.89 1jr0 s PHE 42 Ca 0.18 -0.35 0.13 0.00 0.12 0.00 0.00 56.93 57.01 1jr0 s PHE 42 Cb 0.03 -1.69 0.98 0.00 -0.57 0.00 0.00 43.02 41.77 1jr0 s PHE 42 CO 0.02 0.29 1.97 -0.22 -0.10 0.00 0.00 175.22 177.17 1jr0 h LYS 43 N 1.45 0.46 0.00 0.44 1.63 -1.90 0.71 116.57 119.36 1jr0 h LYS 43 Ca -0.44 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1jr0 h LYS 43 Cb 1.25 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1jr0 h LYS 43 CO 0.62 0.30 0.00 0.27 -3.45 0.00 0.00 179.45 177.19 1jr0 n ASN 44 N -4.48 0.03 0.00 4.20 2.04 -1.26 -4.89 115.26 110.90 1jr0 n ASN 44 Ca 0.11 0.51 0.00 0.00 -0.44 0.00 0.00 54.58 54.75 1jr0 n ASN 44 Cb 0.37 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.11 1jr0 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jr0 n GLY 45 N 0.33 1.74 3.70 4.83 0.00 0.24 -5.07 105.19 110.96 1jr0 n GLY 45 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1jr0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jr0 n ALA 46 N -1.20 1.66 -2.40 4.61 0.00 -1.25 -4.67 120.51 117.25 1jr0 n ALA 46 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 1jr0 n ALA 46 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 1jr0 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jr0 s THR 47 N 0.08 1.75 0.02 0.00 2.01 -1.26 -1.34 115.64 116.89 1jr0 s THR 47 Ca 0.68 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1jr0 s THR 47 Cb -0.60 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1jr0 s THR 47 CO 0.48 0.45 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.47 1jr0 s PHE 48 N -0.57 0.25 0.20 4.92 0.08 -0.24 -4.07 117.98 118.55 1jr0 s PHE 48 Ca 0.09 -0.46 0.11 0.00 0.12 0.00 0.00 56.93 56.79 1jr0 s PHE 48 Cb -0.09 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.14 1jr0 s PHE 48 CO -0.00 -0.16 -0.19 1.14 -0.10 0.00 0.00 175.22 175.91 1jr0 s GLN 49 N -1.27 1.71 -0.34 0.44 -2.07 -0.11 -0.95 119.66 117.08 1jr0 s GLN 49 Ca -0.13 -1.46 -0.14 0.00 -1.82 0.00 0.00 55.36 51.81 1jr0 s GLN 49 Cb -0.09 -1.95 -0.01 0.00 -1.09 0.00 0.00 33.01 29.87 1jr0 s GLN 49 CO -0.01 0.41 0.29 0.08 -1.32 0.00 0.00 175.29 174.73 1jr0 s VAL 50 N -1.75 5.24 0.66 3.63 1.01 -0.21 -0.44 120.40 128.55 1jr0 s VAL 50 Ca 0.23 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1jr0 s VAL 50 Cb -0.08 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1jr0 s VAL 50 CO 0.12 -0.05 1.18 -1.61 0.00 0.00 0.00 175.10 174.74 1jr0 s GLU 51 N 1.82 2.61 0.27 2.72 2.02 -1.26 -3.05 118.70 123.83 1jr0 s GLU 51 Ca 0.08 1.70 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 1jr0 s GLU 51 Cb -0.17 -1.90 -0.13 0.00 0.10 0.00 0.00 34.13 32.04 1jr0 s GLU 51 CO 0.11 -1.46 1.48 0.28 0.02 0.00 0.00 175.26 175.69 1jr0 n VAL 52 N -2.22 1.09 -1.89 2.63 0.31 -1.26 -4.87 118.33 112.13 1jr0 n VAL 52 Ca 0.13 -0.27 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 1jr0 n VAL 52 Cb 0.50 -1.69 0.03 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.61 3.38 0.15 5.55 0.02 -1.26 -4.96 135.00 137.28 1jr0 s PRO 53 Ca 0.65 2.18 -0.23 0.00 0.02 0.00 0.00 61.00 63.62 1jr0 s PRO 53 Cb -0.58 -2.38 0.08 0.00 0.02 0.00 0.00 34.50 31.65 1jr0 s PRO 53 CO 0.51 -0.98 1.09 0.20 -0.33 0.00 0.00 177.00 177.49 1jr0 s GLY 54 N -0.94 0.08 0.33 0.52 0.00 -1.26 -5.04 107.32 101.01 1jr0 s GLY 54 Ca 0.68 -0.29 0.26 0.00 0.00 0.00 0.00 44.72 45.36 1jr0 s GLY 54 CO 0.47 3.27 1.77 1.48 0.00 0.00 0.00 173.10 180.09 1jr0 h SER 55 N 2.00 0.00 0.89 1.64 4.64 -2.03 -1.28 113.55 119.42 1jr0 h SER 55 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1jr0 h SER 55 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1jr0 h SER 55 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1jr0 n GLN 56 N -2.40 0.15 -3.54 4.77 0.00 -1.26 -4.77 117.38 110.32 1jr0 n GLN 56 Ca 0.01 0.28 -0.37 0.00 0.00 0.00 0.00 57.00 56.92 1jr0 n GLN 56 Cb 0.20 -1.73 -0.07 0.00 0.00 0.00 0.00 30.24 28.64 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 -3.16 3.55 0.60 2.61 3.76 -0.48 -5.09 115.29 117.08 1jr0 s HIS 57 Ca 0.08 0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 55.64 1jr0 s HIS 57 Cb 0.11 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1jr0 s HIS 57 CO 0.43 0.39 0.92 0.96 -0.85 0.00 0.00 174.74 176.60 1jr0 s ILE 58 N -0.09 3.76 0.25 0.60 -4.36 -1.26 -4.89 121.20 115.21 1jr0 s ILE 58 Ca 0.19 0.12 -0.06 0.00 -0.26 0.00 0.00 60.65 60.64 1jr0 s ILE 58 Cb -0.14 -3.50 0.26 0.00 1.25 0.00 0.00 42.46 40.33 1jr0 s ILE 58 CO 0.07 -0.54 1.93 -0.78 0.24 0.00 0.00 174.94 175.86 1jr0 h ASP 59 N -0.22 1.14 0.18 4.36 3.58 -1.98 -0.59 116.42 122.89 1jr0 h ASP 59 Ca -0.45 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1jr0 h ASP 59 Cb 1.25 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 1jr0 h ASP 59 CO 0.61 0.82 -0.02 0.77 -2.88 0.00 0.00 179.24 178.54 1jr0 h SER 60 N 1.35 0.00 1.48 2.28 4.64 -2.05 -2.23 113.55 119.02 1jr0 h SER 60 Ca 0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1jr0 h SER 60 Cb -0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1jr0 h SER 60 CO -0.09 0.02 -0.11 1.56 -0.87 0.00 0.00 176.83 177.34 1jr0 h GLN 61 N 0.00 0.00 -0.33 4.77 4.20 -1.48 -3.35 115.11 118.92 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 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1jr0 h GLN 61 CO 0.00 0.11 0.15 0.87 -0.67 0.00 0.00 178.83 179.29 1jr0 h LYS 62 N 0.00 0.48 -0.56 1.46 1.79 -1.48 0.97 116.57 119.22 1jr0 h LYS 62 Ca -0.00 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1jr0 h LYS 62 Cb 0.87 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 1jr0 h LYS 62 CO 0.01 0.45 0.19 0.87 -1.08 0.00 0.00 179.45 179.89 1jr0 h LYS 63 N 0.39 0.84 -0.05 3.15 1.57 -1.76 -2.73 116.57 117.97 1jr0 h LYS 63 Ca 0.11 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1jr0 h LYS 63 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jr0 h LYS 63 CO -0.01 0.72 -0.61 0.00 -0.57 0.00 0.00 179.45 178.97 1jr0 h ALA 64 N 1.39 0.87 -0.42 3.86 0.00 -1.49 -1.23 119.26 122.24 1jr0 h ALA 64 Ca 0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1jr0 h ALA 64 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jr0 h ALA 64 CO -0.01 0.74 0.21 0.82 0.00 0.00 0.00 179.25 181.01 1jr0 h ILE 65 N 0.14 1.17 -0.55 0.00 2.04 -0.55 -0.78 117.51 118.98 1jr0 h ILE 65 Ca -0.01 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1jr0 h ILE 65 Cb 1.11 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1jr0 h ILE 65 CO 0.09 0.18 0.27 -0.33 0.00 0.00 0.00 178.15 178.36 1jr0 h GLU 66 N 0.53 0.78 -0.78 2.37 4.39 -1.25 -2.40 114.58 118.23 1jr0 h GLU 66 Ca 0.14 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1jr0 h GLU 66 Cb 0.10 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1jr0 h GLU 66 CO -0.02 0.64 0.51 -0.09 -1.16 0.00 0.00 179.01 178.89 1jr0 h ARG 67 N 0.73 1.04 -0.67 2.33 2.43 -1.01 -2.34 114.38 116.89 1jr0 h ARG 67 Ca 0.19 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jr0 h ARG 67 Cb 0.11 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1jr0 h ARG 67 CO -0.02 0.70 0.43 1.98 -1.51 0.00 0.00 179.97 181.54 1jr0 h MET 68 N 1.06 0.84 -0.52 0.20 4.05 -0.85 0.88 114.93 120.60 1jr0 h MET 68 Ca 0.28 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 1jr0 h MET 68 Cb -0.10 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.48 1jr0 h MET 68 CO -0.06 0.56 0.07 0.87 0.23 0.00 0.00 176.91 178.57 1jr0 h LYS 69 N 0.87 0.83 -0.41 0.39 1.57 -1.20 -0.03 116.57 118.58 1jr0 h LYS 69 Ca 0.25 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1jr0 h LYS 69 Cb -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1jr0 h LYS 69 CO -0.07 0.79 0.22 -0.44 -0.57 0.00 0.00 179.45 179.37 1jr0 h ASP 70 N 0.78 0.33 -0.44 0.86 3.32 -0.83 -2.05 116.42 118.39 1jr0 h ASP 70 Ca 0.16 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1jr0 h ASP 70 Cb 0.38 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1jr0 h ASP 70 CO 0.01 0.24 0.11 0.74 -1.72 0.00 0.00 179.24 178.61 1jr0 h THR 71 N 0.44 1.23 -0.56 0.35 2.02 -0.24 -2.05 112.91 114.10 1jr0 h THR 71 Ca 0.17 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 1jr0 h THR 71 Cb 0.06 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1jr0 h THR 71 CO -0.11 0.29 0.05 -0.07 0.37 0.00 0.00 175.52 176.05 1jr0 h LEU 72 N 0.58 0.89 -0.01 2.58 3.38 -0.90 0.71 115.31 122.54 1jr0 h LEU 72 Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jr0 h LEU 72 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jr0 h LEU 72 CO 0.00 0.92 0.00 -0.09 0.09 0.00 0.00 178.44 179.37 1jr0 h ARG 73 N 0.87 0.02 -0.14 1.13 2.43 -1.20 -0.64 114.38 116.85 1jr0 h ARG 73 Ca 0.17 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1jr0 h ARG 73 Cb 0.45 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1jr0 h ARG 73 CO 0.02 0.19 -0.59 0.97 -1.51 0.00 0.00 179.97 179.04 1jr0 h ILE 74 N -0.16 1.34 -0.56 1.20 6.09 -1.26 -1.17 117.51 122.99 1jr0 h ILE 74 Ca 0.00 -1.89 0.07 0.00 -1.37 0.00 0.00 64.86 61.68 1jr0 h ILE 74 Cb 0.18 1.88 -0.06 0.00 0.47 0.00 0.00 36.82 39.29 1jr0 h ILE 74 CO -0.00 0.58 0.24 0.00 -3.07 0.00 0.00 178.15 175.89 1jr0 h ALA 75 N 1.01 0.72 0.11 0.18 0.00 -0.79 -0.52 119.26 119.97 1jr0 h ALA 75 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jr0 h ALA 75 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jr0 h ALA 75 CO 0.11 -0.15 -0.10 -0.92 0.00 0.00 0.00 179.25 178.18 1jr0 h TYR 76 N 0.44 -0.27 0.00 0.00 3.20 -0.77 -0.86 116.97 118.72 1jr0 h TYR 76 Ca 0.27 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1jr0 h TYR 76 Cb 0.27 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1jr0 h TYR 76 CO -0.14 -0.16 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.83 1jr0 h LEU 77 N -0.23 0.00 -0.88 2.82 3.38 -1.00 -2.35 115.31 117.04 1jr0 h LEU 77 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jr0 h LEU 77 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jr0 h LEU 77 CO -0.03 0.32 -0.14 0.35 0.09 0.00 0.00 178.44 179.04 1jr0 n THR 78 N -3.94 0.00 -2.58 0.22 -2.24 -0.22 -4.95 114.28 100.57 1jr0 n THR 78 Ca -0.02 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 1jr0 n THR 78 Cb 0.39 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.04 -2.65 -2.13 -0.78 1.02 -0.42 -4.94 120.64 110.69 1jr0 n GLU 79 Ca 0.15 0.97 -0.41 0.00 -0.02 0.00 0.00 57.16 57.85 1jr0 n GLU 79 Cb 0.39 -5.68 -0.03 0.00 -0.02 0.00 0.00 31.44 26.09 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 -3.08 3.58 0.08 0.62 0.00 -0.69 -4.74 121.76 117.54 1jr0 s ALA 80 Ca 0.09 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1jr0 s ALA 80 Cb -0.04 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1jr0 s ALA 80 CO 0.12 -0.63 1.50 0.21 0.00 0.00 0.00 175.76 176.95 1jr0 s LYS 81 N 0.07 4.26 -0.16 0.00 2.20 -1.26 -4.28 119.74 120.56 1jr0 s LYS 81 Ca 0.60 2.16 -0.23 0.00 -0.36 0.00 0.00 55.97 58.14 1jr0 s LYS 81 Cb -0.39 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1jr0 s LYS 81 CO 0.38 -0.59 0.72 0.08 -0.36 0.00 0.00 175.35 175.58 1jr0 s VAL 82 N 1.90 4.97 -0.04 4.02 1.01 -0.27 -3.19 120.40 128.81 1jr0 s VAL 82 Ca 0.68 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 64.06 1jr0 s VAL 82 Cb -0.37 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 1jr0 s VAL 82 CO 0.30 0.10 -0.00 -0.08 0.00 0.00 0.00 175.10 175.42 1jr0 h GLU 83 N 7.29 0.00 -4.81 2.72 4.81 -1.02 0.13 114.58 123.70 1jr0 h GLU 83 Ca -0.32 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.61 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 -0.73 0.15 -0.73 0.00 0.00 179.01 178.49 1jr0 s LYS 84 N -1.22 0.74 -0.05 1.92 1.02 -1.13 -0.30 119.74 120.73 1jr0 s LYS 84 Ca -0.00 -1.05 0.06 0.00 0.02 0.00 0.00 55.97 55.00 1jr0 s LYS 84 Cb 0.00 -0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 1jr0 s LYS 84 CO 0.00 0.06 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.73 1jr0 s LEU 85 N -2.23 2.07 -0.21 3.17 1.43 -0.16 -1.18 118.68 121.56 1jr0 s LEU 85 Ca 0.01 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1jr0 s LEU 85 Cb -0.04 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1jr0 s LEU 85 CO -0.01 0.26 0.26 0.00 0.23 0.00 0.00 176.35 177.09 1jr0 s VAL 87 N 1.00 0.86 -0.18 0.00 -7.23 -0.25 -0.21 120.40 114.38 1jr0 s VAL 87 Ca 0.13 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 1jr0 s VAL 87 Cb -0.14 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1jr0 s VAL 87 CO 0.05 -0.51 0.72 0.26 -0.31 0.00 0.00 175.10 175.31 1jr0 s TRP 88 N -2.19 3.41 -1.98 2.82 0.51 0.53 -1.08 118.94 120.96 1jr0 s TRP 88 Ca 0.02 1.09 0.22 0.00 -2.12 0.00 0.00 56.10 55.31 1jr0 s TRP 88 Cb -0.04 -2.90 0.63 0.00 -0.81 0.00 0.00 33.47 30.35 1jr0 s TRP 88 CO -0.00 -0.19 1.52 0.27 -0.51 0.00 0.00 176.95 178.05 1jr0 n ASN 89 N 5.05 3.82 -1.05 2.95 0.23 0.12 -1.77 115.26 124.61 1jr0 n ASN 89 Ca 0.01 -2.01 0.07 0.00 -0.53 0.00 0.00 54.58 52.13 1jr0 n ASN 89 Cb 0.49 -0.48 0.23 0.00 -2.08 0.00 0.00 39.78 37.95 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 1.57 3.05 -4.29 0.53 6.94 -1.26 -4.90 115.26 116.90 1jr0 n ASN 90 Ca 0.24 -2.16 -0.21 0.00 -0.02 0.00 0.00 54.58 52.43 1jr0 n ASN 90 Cb 0.60 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 37.50 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 -1.55 1.16 -0.11 -3.83 -0.14 -1.25 -5.10 119.74 108.91 1jr0 s LYS 91 Ca 0.34 -1.30 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1jr0 s LYS 91 Cb 0.20 -1.20 0.02 0.00 -1.68 0.00 0.00 37.83 35.17 1jr0 s LYS 91 CO 0.20 0.25 -0.11 0.99 -0.76 0.00 0.00 175.35 175.92 1jr0 s THR 92 N -1.89 1.21 0.85 2.17 2.01 -1.26 -3.04 115.64 115.69 1jr0 s THR 92 Ca 0.11 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 1jr0 s THR 92 Cb -0.06 -1.16 0.09 0.00 0.01 0.00 0.00 72.50 71.37 1jr0 s THR 92 CO 0.05 0.39 1.05 -2.65 -0.69 0.00 0.00 174.62 172.77 1jr0 n PRO 93 N 4.59 -0.06 -1.63 4.92 -0.02 -1.26 -5.05 135.00 136.49 1jr0 n PRO 93 Ca -0.16 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 1jr0 n PRO 93 Cb 0.50 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1jr0 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1jr0 n HIS 94 N -3.56 1.56 -3.48 6.00 8.25 -1.17 -4.45 115.22 118.37 1jr0 n HIS 94 Ca 0.12 0.62 -0.38 0.00 -0.26 0.00 0.00 57.72 57.83 1jr0 n HIS 94 Cb 0.51 -2.30 -0.08 0.00 1.12 0.00 0.00 29.99 29.24 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 -1.12 3.58 0.03 -1.41 0.00 -0.73 -0.93 121.76 121.17 1jr0 s ALA 95 Ca 0.59 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1jr0 s ALA 95 Cb -0.63 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1jr0 s ALA 95 CO 0.60 -0.30 1.28 0.42 0.00 0.00 0.00 175.76 177.76 1jr0 s ILE 96 N 1.30 3.89 -0.21 0.00 1.01 0.42 -0.35 121.20 127.26 1jr0 s ILE 96 Ca 0.15 1.31 0.10 0.00 0.00 0.00 0.00 60.65 62.21 1jr0 s ILE 96 Cb -0.14 -3.84 -0.20 0.00 0.01 0.00 0.00 42.46 38.29 1jr0 s ILE 96 CO 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 174.94 175.01 1jr0 n ALA 97 N 4.52 1.52 -3.32 9.38 0.00 0.71 -4.83 120.51 128.49 1jr0 n ALA 97 Ca 0.11 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1jr0 n ALA 97 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.46 -1.43 0.01 0.00 0.00 -0.95 -4.97 121.76 111.97 1jr0 s ALA 98 Ca -0.19 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1jr0 s ALA 98 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1jr0 s ALA 98 CO 0.67 -0.66 -0.08 -1.50 0.00 0.00 0.00 175.76 174.19 1jr0 s ILE 99 N -3.29 0.60 -0.02 0.00 2.07 -1.26 -0.91 121.20 118.39 1jr0 s ILE 99 Ca -0.01 -0.60 0.07 0.00 -1.41 0.00 0.00 60.65 58.70 1jr0 s ILE 99 Cb -0.00 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 1jr0 s ILE 99 CO -0.09 -0.02 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.76 1jr0 s SER 100 N -0.68 2.62 -0.08 4.50 1.04 -0.32 -5.00 113.70 115.77 1jr0 s SER 100 Ca -0.01 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1jr0 s SER 100 Cb -0.05 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1jr0 s SER 100 CO 0.00 0.27 -0.23 -0.04 0.98 0.00 0.00 173.24 174.23 1jr0 s MET 101 N -0.53 2.65 -0.03 4.02 -1.94 -1.26 -0.49 119.30 121.72 1jr0 s MET 101 Ca 0.09 -0.83 -0.28 0.00 -1.71 0.00 0.00 55.69 52.96 1jr0 s MET 101 Cb -0.09 -2.11 0.06 0.00 2.01 0.00 0.00 34.83 34.71 1jr0 s MET 101 CO -0.01 0.24 0.61 0.00 -0.01 0.00 0.00 175.02 175.85 1jr0 s ALA 102 N 0.17 -1.58 -2.00 3.03 0.00 -1.19 -4.85 121.76 115.33 1jr0 s ALA 102 Ca -0.12 1.09 0.21 0.00 0.00 0.00 0.00 51.96 53.14 1jr0 s ALA 102 Cb -0.16 0.06 1.27 0.00 0.00 0.00 0.00 23.12 24.29 1jr0 s ALA 102 CO 0.06 -0.37 1.65 -1.71 0.00 0.00 0.00 175.76 175.39