#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 1.15 -0.01 -2.82 -0.04 -1.26 -4.92 135.00 127.10 1jr0 n PRO 2 Ca 0.00 0.45 0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1jr0 n PRO 2 Cb 0.00 -2.53 0.03 0.00 -0.04 0.00 0.00 33.50 30.95 1jr0 n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jr0 n GLN 3 N -1.85 0.21 -3.74 0.54 6.02 -1.26 -4.97 117.38 112.32 1jr0 n GLN 3 Ca 0.16 -0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 56.11 1jr0 n GLN 3 Cb 0.48 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.61 1jr0 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jr0 s ASN 4 N -0.52 -0.34 0.41 1.08 2.20 -1.26 -5.06 114.94 111.46 1jr0 s ASN 4 Ca 0.07 -0.45 0.09 0.00 -0.94 0.00 0.00 52.86 51.63 1jr0 s ASN 4 Cb 0.04 0.68 0.87 0.00 -2.00 0.00 0.00 41.25 40.85 1jr0 s ASN 4 CO 0.07 -1.23 2.00 -0.29 -2.94 0.00 0.00 177.10 174.71 1jr0 h ILE 5 N 2.02 1.13 -0.33 0.54 2.10 -1.96 -1.81 117.51 119.19 1jr0 h ILE 5 Ca -0.24 -0.46 -0.08 0.00 1.08 0.00 0.00 64.86 65.17 1jr0 h ILE 5 Cb 1.27 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1jr0 h ILE 5 CO 0.28 0.16 -0.09 0.74 -1.08 0.00 0.00 178.15 178.16 1jr0 h THR 6 N 0.32 1.28 -0.39 2.19 2.02 -1.99 0.66 112.91 117.00 1jr0 h THR 6 Ca 0.08 -1.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.00 1jr0 h THR 6 Cb 0.17 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1jr0 h THR 6 CO -0.00 0.37 -0.20 0.44 0.37 0.00 0.00 175.52 176.51 1jr0 h ASP 7 N 0.43 0.76 -0.28 4.18 3.32 -1.94 -2.25 116.42 120.65 1jr0 h ASP 7 Ca 0.08 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1jr0 h ASP 7 Cb 0.59 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1jr0 h ASP 7 CO 0.03 0.95 -0.01 0.25 -1.72 0.00 0.00 179.24 178.74 1jr0 h LEU 8 N 0.67 0.50 -1.38 1.55 6.46 -1.14 -3.11 115.31 118.86 1jr0 h LEU 8 Ca 0.10 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1jr0 h LEU 8 Cb 0.69 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1jr0 h LEU 8 CO 0.05 0.70 0.44 0.00 -0.62 0.00 0.00 178.44 179.01 1jr0 h ALA 10 N 1.61 1.00 0.00 0.00 0.00 -1.33 -2.60 119.26 117.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 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 -3.07 0.21 -4.80 0.00 1.02 -0.78 -4.82 120.64 108.40 1jr0 n GLU 11 Ca -0.02 0.09 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1jr0 n GLU 11 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.72 2.30 0.50 -0.32 1.51 -0.98 -5.13 117.35 112.51 1jr0 s TYR 12 Ca 0.17 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 1jr0 s TYR 12 Cb 0.15 -1.35 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 1jr0 s TYR 12 CO 0.36 0.16 1.07 -1.58 -1.11 0.00 0.00 175.55 174.45 1jr0 s HIS 13 N -0.85 2.90 -1.29 2.71 2.46 -1.26 -4.04 115.29 115.91 1jr0 s HIS 13 Ca 0.12 1.57 -0.06 0.00 0.47 0.00 0.00 55.06 57.16 1jr0 s HIS 13 Cb -0.10 -3.15 0.01 0.00 -0.13 0.00 0.00 32.58 29.21 1jr0 s HIS 13 CO 0.03 -1.08 0.82 0.09 -2.47 0.00 0.00 174.74 172.12 1jr0 n ASN 14 N -1.03 -5.78 -4.44 9.88 3.02 -1.26 -4.95 115.26 110.70 1jr0 n ASN 14 Ca 0.10 -0.37 -0.22 0.00 -0.03 0.00 0.00 54.58 54.05 1jr0 n ASN 14 Cb 0.52 -4.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.09 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 -3.20 1.94 0.12 3.41 -4.23 -1.26 -0.68 115.64 111.74 1jr0 s THR 15 Ca 0.40 -2.22 -0.18 0.00 -1.18 0.00 0.00 61.69 58.52 1jr0 s THR 15 Cb -0.18 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.35 1jr0 s THR 15 CO 0.50 -0.37 0.45 0.00 -0.54 0.00 0.00 174.62 174.66 1jr0 s GLN 16 N -3.64 1.10 -0.11 3.99 -2.07 -0.43 -4.88 119.66 113.61 1jr0 s GLN 16 Ca 0.28 -0.61 -0.18 0.00 -1.82 0.00 0.00 55.36 53.04 1jr0 s GLN 16 Cb 0.01 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1jr0 s GLN 16 CO 0.12 -0.44 0.46 0.42 -1.32 0.00 0.00 175.29 174.53 1jr0 s ILE 17 N -3.64 5.17 -0.18 3.63 -1.09 -1.26 -1.30 121.20 122.54 1jr0 s ILE 17 Ca 0.02 0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 59.30 1jr0 s ILE 17 Cb 0.01 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1jr0 s ILE 17 CO -0.11 0.35 0.03 -1.00 -1.23 0.00 0.00 174.94 172.98 1jr0 s HIS 18 N 0.45 3.17 -0.30 3.97 3.76 0.08 -4.99 115.29 121.43 1jr0 s HIS 18 Ca 0.25 -0.08 -0.11 0.00 -0.15 0.00 0.00 55.06 54.98 1jr0 s HIS 18 Cb -0.15 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 1jr0 s HIS 18 CO 0.10 0.06 0.18 0.99 -0.85 0.00 0.00 174.74 175.23 1jr0 s THR 19 N 0.43 5.07 -0.23 1.30 2.01 -1.26 -1.21 115.64 121.75 1jr0 s THR 19 Ca 0.01 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 1jr0 s THR 19 Cb -0.13 -3.49 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 1jr0 s THR 19 CO 0.01 0.16 -0.31 0.18 -0.69 0.00 0.00 174.62 173.96 1jr0 n LEU 20 N 5.05 1.73 -4.17 4.42 7.99 0.10 -5.01 117.00 127.11 1jr0 n LEU 20 Ca -0.14 0.30 -0.30 0.00 -0.01 0.00 0.00 56.01 55.86 1jr0 n LEU 20 Cb 0.51 -0.71 -0.07 0.00 -0.11 0.00 0.00 43.42 43.04 1jr0 n LEU 20 CO 0.34 0.41 -0.37 0.59 -1.51 0.00 0.00 177.39 176.84 1jr0 n ASN 21 N -4.12 0.23 -3.63 -1.43 3.02 0.25 -4.95 115.26 104.62 1jr0 n ASN 21 Ca -0.44 -1.18 -0.12 0.00 -0.03 0.00 0.00 54.58 52.81 1jr0 n ASN 21 Cb 0.80 -2.14 -0.05 0.00 -0.61 0.00 0.00 39.78 37.77 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 -4.34 -0.30 0.73 6.41 2.15 -0.76 -4.90 116.67 115.65 1jr0 s ASP 22 Ca 0.03 -0.08 -0.11 0.00 0.43 0.00 0.00 52.55 52.82 1jr0 s ASP 22 Cb -0.01 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 1jr0 s ASP 22 CO 0.96 -0.75 1.08 -1.59 -0.17 0.00 0.00 175.17 174.70 1jr0 s LYS 23 N -2.97 2.60 0.20 4.34 -2.85 -1.26 -0.67 119.74 119.12 1jr0 s LYS 23 Ca -0.02 1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 55.75 1jr0 s LYS 23 Cb 0.00 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 1jr0 s LYS 23 CO -0.06 -1.37 1.21 0.42 0.10 0.00 0.00 175.35 175.64 1jr0 s ILE 24 N -2.89 3.51 -0.04 3.79 1.01 -1.26 -4.72 121.20 120.59 1jr0 s ILE 24 Ca 0.60 1.28 -0.14 0.00 0.00 0.00 0.00 60.65 62.39 1jr0 s ILE 24 Cb -0.16 -3.82 -0.31 0.00 0.01 0.00 0.00 42.46 38.18 1jr0 s ILE 24 CO 0.54 0.21 0.74 0.15 0.00 0.00 0.00 174.94 176.58 1jr0 h PHE 25 N 5.13 0.70 -3.68 3.97 3.57 -0.97 -3.48 116.94 122.18 1jr0 h PHE 25 Ca -0.45 -0.51 -0.16 0.00 3.53 0.00 0.00 57.97 60.39 1jr0 h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.72 1jr0 h PHE 25 CO 0.62 1.59 -0.57 -1.54 -2.23 0.00 0.00 178.31 176.18 1jr0 s SER 26 N -7.27 0.10 -0.09 0.41 1.04 -0.96 -4.97 113.70 101.97 1jr0 s SER 26 Ca -0.15 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1jr0 s SER 26 Cb 0.04 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1jr0 s SER 26 CO 0.85 -0.34 -0.11 -0.47 0.98 0.00 0.00 173.24 174.15 1jr0 s TYR 27 N -1.38 1.56 -0.02 5.02 5.04 -1.26 -1.92 117.35 124.38 1jr0 s TYR 27 Ca -0.15 -0.67 0.05 0.00 -2.44 0.00 0.00 57.07 53.87 1jr0 s TYR 27 Cb -0.08 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.04 1jr0 s TYR 27 CO 0.01 -0.38 -0.18 0.99 -1.34 0.00 0.00 175.55 174.65 1jr0 s THR 28 N 1.02 1.41 0.02 4.34 2.01 0.34 -5.00 115.64 119.77 1jr0 s THR 28 Ca -0.08 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1jr0 s THR 28 Cb -0.15 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1jr0 s THR 28 CO -0.01 0.40 0.05 -1.83 -0.69 0.00 0.00 174.62 172.54 1jr0 s GLU 29 N -0.26 0.46 -0.01 4.92 -1.05 -1.26 -0.80 118.70 120.70 1jr0 s GLU 29 Ca 0.03 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.22 1jr0 s GLU 29 Cb -0.08 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1jr0 s GLU 29 CO 0.00 -0.10 -0.08 0.45 0.95 0.00 0.00 175.26 176.48 1jr0 s SER 30 N -1.77 0.96 0.00 0.83 0.15 -0.70 -5.02 113.70 108.15 1jr0 s SER 30 Ca -0.10 -0.15 0.14 0.00 0.70 0.00 0.00 55.95 56.54 1jr0 s SER 30 Cb -0.05 -0.15 0.20 0.00 -1.71 0.00 0.00 66.02 64.31 1jr0 s SER 30 CO -0.02 0.09 1.07 0.00 1.20 0.00 0.00 173.24 175.57 1jr0 n LEU 31 N 3.00 2.50 -4.77 3.45 -0.00 -1.26 -2.96 117.00 116.96 1jr0 n LEU 31 Ca -0.15 -1.31 -0.40 0.00 -0.00 0.00 0.00 56.01 54.15 1jr0 n LEU 31 Cb 0.57 -0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1jr0 n LEU 31 CO 0.25 0.52 1.04 0.00 -0.00 0.00 0.00 177.39 179.21 1jr0 s ALA 32 N -1.13 3.44 0.20 1.47 0.00 -1.26 -4.82 121.76 119.66 1jr0 s ALA 32 Ca 0.21 1.39 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 1jr0 s ALA 32 Cb 0.13 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1jr0 s ALA 32 CO 0.19 -0.90 1.63 0.20 0.00 0.00 0.00 175.76 176.88 1jr0 s GLY 33 N -0.42 1.49 0.00 0.00 0.00 -1.26 -0.82 107.32 106.31 1jr0 s GLY 33 Ca 0.53 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.73 1jr0 s GLY 33 CO 0.56 2.71 0.00 0.28 0.00 0.00 0.00 173.10 176.66 1jr0 n LYS 34 N 3.78 -0.20 -2.55 2.90 4.76 -1.26 -4.84 118.16 120.74 1jr0 n LYS 34 Ca 0.14 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.53 1jr0 n LYS 34 Cb 0.37 -3.21 0.03 0.00 -1.84 0.00 0.00 35.03 30.38 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 -1.99 2.31 -2.64 1.97 5.12 0.00 -4.96 116.66 116.48 1jr0 n ARG 35 Ca 0.00 -3.74 -0.42 0.00 -1.93 0.00 0.00 57.85 51.76 1jr0 n ARG 35 Cb 0.05 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 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 -3.63 3.57 0.26 5.56 8.01 -1.16 -4.36 118.70 126.95 1jr0 s GLU 36 Ca 0.35 -1.20 -0.14 0.00 0.01 0.00 0.00 54.97 53.99 1jr0 s GLU 36 Cb 0.37 -5.20 0.00 0.00 -4.31 0.00 0.00 34.13 24.99 1jr0 s GLU 36 CO -0.02 -2.11 0.52 0.00 0.01 0.00 0.00 175.26 173.66 1jr0 s MET 37 N 4.54 1.61 0.09 1.61 0.23 -1.16 -4.22 119.30 122.01 1jr0 s MET 37 Ca 0.42 -1.23 0.08 0.00 -1.03 0.00 0.00 55.69 53.93 1jr0 s MET 37 Cb -0.02 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1jr0 s MET 37 CO -0.08 -0.68 -0.20 0.00 -2.03 0.00 0.00 175.02 172.03 1jr0 s ALA 38 N -3.95 1.68 -0.03 3.16 0.00 -1.23 -1.72 121.76 119.68 1jr0 s ALA 38 Ca 0.21 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1jr0 s ALA 38 Cb -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1jr0 s ALA 38 CO 0.09 0.33 -0.08 0.42 0.00 0.00 0.00 175.76 176.52 1jr0 s ILE 39 N -1.17 0.69 0.12 0.00 1.01 0.02 -1.04 121.20 120.84 1jr0 s ILE 39 Ca 0.05 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.49 1jr0 s ILE 39 Cb -0.10 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1jr0 s ILE 39 CO 0.04 0.23 -0.21 0.27 0.00 0.00 0.00 174.94 175.27 1jr0 s ILE 40 N 0.31 1.79 0.14 2.92 -4.36 -0.07 -0.51 121.20 121.41 1jr0 s ILE 40 Ca -0.05 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 58.72 1jr0 s ILE 40 Cb -0.09 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 1jr0 s ILE 40 CO 0.00 -0.12 -0.10 0.42 0.24 0.00 0.00 174.94 175.39 1jr0 s THR 41 N -1.40 1.10 0.34 8.37 -4.23 -0.81 -0.78 115.64 118.24 1jr0 s THR 41 Ca 0.10 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1jr0 s THR 41 Cb -0.09 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 1jr0 s THR 41 CO 0.05 -0.76 0.04 -0.36 -0.54 0.00 0.00 174.62 173.05 1jr0 s PHE 42 N -3.36 2.58 0.01 3.99 0.08 -0.55 -0.29 117.98 120.43 1jr0 s PHE 42 Ca 0.16 -0.43 0.32 0.00 0.12 0.00 0.00 56.93 57.09 1jr0 s PHE 42 Cb 0.03 -1.53 1.43 0.00 -0.57 0.00 0.00 43.02 42.38 1jr0 s PHE 42 CO -0.00 0.45 1.95 1.57 -0.10 0.00 0.00 175.22 179.08 1jr0 h LYS 43 N 1.75 0.00 0.00 0.44 2.10 -1.90 -0.17 116.57 118.79 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 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 1jr0 n ASN 44 N -2.77 0.00 0.00 7.07 0.23 -1.26 -4.87 115.26 113.65 1jr0 n ASN 44 Ca 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1jr0 n ASN 44 Cb 0.22 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1jr0 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jr0 n GLY 45 N 0.74 0.77 3.74 4.83 0.00 -0.08 -5.04 105.19 110.15 1jr0 n GLY 45 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 3.70 -0.05 4.61 0.00 -1.25 -4.77 121.76 121.62 1jr0 s ALA 46 Ca 0.00 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1jr0 s ALA 46 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 1jr0 s ALA 46 CO 0.00 -0.82 -0.18 0.99 0.00 0.00 0.00 175.76 175.75 1jr0 s THR 47 N 0.22 1.50 0.03 0.00 2.01 -1.26 -1.48 115.64 116.66 1jr0 s THR 47 Ca 0.63 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1jr0 s THR 47 Cb -0.44 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1jr0 s THR 47 CO 0.42 0.43 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.36 1jr0 s PHE 48 N 0.06 0.51 0.18 4.92 0.08 0.04 -4.04 117.98 119.72 1jr0 s PHE 48 Ca -0.05 -0.46 0.10 0.00 0.12 0.00 0.00 56.93 56.63 1jr0 s PHE 48 Cb -0.12 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1jr0 s PHE 48 CO 0.03 -0.11 -0.15 1.14 -0.10 0.00 0.00 175.22 176.03 1jr0 s GLN 49 N -1.39 1.87 -0.32 0.44 -2.07 -0.46 -0.90 119.66 116.83 1jr0 s GLN 49 Ca -0.11 -1.34 -0.14 0.00 -1.82 0.00 0.00 55.36 51.95 1jr0 s GLN 49 Cb -0.09 -2.06 -0.03 0.00 -1.09 0.00 0.00 33.01 29.74 1jr0 s GLN 49 CO -0.00 0.43 0.30 0.08 -1.32 0.00 0.00 175.29 174.78 1jr0 s VAL 50 N -1.65 5.22 0.66 3.63 1.01 -0.20 -0.74 120.40 128.33 1jr0 s VAL 50 Ca 0.23 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1jr0 s VAL 50 Cb -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1jr0 s VAL 50 CO 0.13 0.04 1.20 -1.61 0.00 0.00 0.00 175.10 174.86 1jr0 s GLU 51 N 1.91 2.58 0.25 2.72 2.02 -1.26 -3.48 118.70 123.43 1jr0 s GLU 51 Ca 0.10 1.75 -0.31 0.00 0.02 0.00 0.00 54.97 56.53 1jr0 s GLU 51 Cb -0.16 -1.89 -0.13 0.00 0.10 0.00 0.00 34.13 32.05 1jr0 s GLU 51 CO 0.11 -1.50 1.55 0.28 0.02 0.00 0.00 175.26 175.72 1jr0 n VAL 52 N -2.19 0.75 -1.94 2.63 0.31 -1.26 -4.88 118.33 111.75 1jr0 n VAL 52 Ca 0.13 -0.19 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 1jr0 n VAL 52 Cb 0.50 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.10 3.71 0.19 5.55 0.02 -1.26 -4.95 135.00 138.15 1jr0 s PRO 53 Ca 0.68 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.71 1jr0 s PRO 53 Cb -0.57 -2.60 0.08 0.00 0.02 0.00 0.00 34.50 31.42 1jr0 s PRO 53 CO 0.46 -0.73 1.04 0.20 -0.33 0.00 0.00 177.00 177.63 1jr0 s GLY 54 N -0.75 0.12 0.00 0.52 0.00 -1.26 -5.04 107.32 100.91 1jr0 s GLY 54 Ca 0.61 -0.35 0.13 0.00 0.00 0.00 0.00 44.72 45.12 1jr0 s GLY 54 CO 0.50 2.47 1.38 -1.14 0.00 0.00 0.00 173.10 176.31 1jr0 n SER 55 N -1.24 0.00 0.02 1.64 3.41 -1.26 -1.44 113.62 114.75 1jr0 n SER 55 Ca -0.03 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.96 1jr0 n SER 55 Cb 0.59 -0.36 0.50 0.00 -0.26 0.00 0.00 64.21 64.68 1jr0 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jr0 n GLN 56 N -1.36 0.06 -4.58 4.33 0.00 -1.26 -4.76 117.38 109.80 1jr0 n GLN 56 Ca 0.05 0.04 -0.33 0.00 0.00 0.00 0.00 57.00 56.76 1jr0 n GLN 56 Cb 0.12 -1.56 -0.13 0.00 0.00 0.00 0.00 30.24 28.68 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 -3.03 2.93 0.73 2.61 3.76 -0.52 -5.13 115.29 116.65 1jr0 s HIS 57 Ca 0.13 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 1jr0 s HIS 57 Cb 0.17 -1.86 0.04 0.00 1.11 0.00 0.00 32.58 32.04 1jr0 s HIS 57 CO 0.58 -0.01 1.10 0.96 -0.85 0.00 0.00 174.74 176.52 1jr0 s ILE 58 N 0.08 2.85 0.37 0.60 -4.36 -1.26 -4.86 121.20 114.62 1jr0 s ILE 58 Ca -0.02 0.18 0.07 0.00 -0.26 0.00 0.00 60.65 60.61 1jr0 s ILE 58 Cb -0.14 -3.25 0.30 0.00 1.25 0.00 0.00 42.46 40.62 1jr0 s ILE 58 CO 0.03 -0.32 1.95 0.44 0.24 0.00 0.00 174.94 177.28 1jr0 h ASP 59 N -0.74 0.63 0.77 4.36 3.32 -2.00 -0.24 116.42 122.53 1jr0 h ASP 59 Ca -0.45 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1jr0 h ASP 59 Cb 1.29 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jr0 h ASP 59 CO 0.64 0.40 -0.06 0.77 -1.72 0.00 0.00 179.24 179.26 1jr0 h SER 60 N 0.71 0.00 1.67 6.45 4.64 -2.04 -1.97 113.55 123.02 1jr0 h SER 60 Ca 0.33 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 1jr0 h SER 60 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1jr0 h SER 60 CO -0.12 0.06 -0.21 1.56 -0.87 0.00 0.00 176.83 177.26 1jr0 h GLN 61 N 0.00 0.00 -0.34 4.77 4.20 -1.40 -3.33 115.11 119.01 1jr0 h GLN 61 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jr0 h GLN 61 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1jr0 h GLN 61 CO 0.01 0.21 0.20 0.87 -0.67 0.00 0.00 178.83 179.45 1jr0 h LYS 62 N 0.00 0.47 -0.19 1.46 1.79 -1.36 0.12 116.57 118.86 1jr0 h LYS 62 Ca -0.00 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1jr0 h LYS 62 Cb 1.11 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1jr0 h LYS 62 CO 0.03 0.37 -0.26 1.57 -1.08 0.00 0.00 179.45 180.07 1jr0 h LYS 63 N 0.44 0.35 0.00 3.15 2.10 -1.72 -2.72 116.57 118.17 1jr0 h LYS 63 Ca 0.12 -0.13 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1jr0 h LYS 63 Cb 0.02 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1jr0 h LYS 63 CO -0.02 0.59 -0.55 0.00 -2.00 0.00 0.00 179.45 177.47 1jr0 h ALA 64 N 1.41 1.08 -0.50 0.07 0.00 -1.41 -1.72 119.26 118.20 1jr0 h ALA 64 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1jr0 h ALA 64 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jr0 h ALA 64 CO 0.05 0.68 0.17 0.82 0.00 0.00 0.00 179.25 180.97 1jr0 h ILE 65 N 0.00 1.22 -0.57 0.00 2.04 -0.53 -0.62 117.51 119.06 1jr0 h ILE 65 Ca -0.01 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1jr0 h ILE 65 Cb 0.98 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1jr0 h ILE 65 CO 0.07 0.27 0.22 -0.33 0.00 0.00 0.00 178.15 178.38 1jr0 h GLU 66 N 0.67 0.86 -0.82 2.37 4.39 -1.18 -2.25 114.58 118.61 1jr0 h GLU 66 Ca 0.16 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jr0 h GLU 66 Cb 0.25 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1jr0 h GLU 66 CO -0.01 0.75 0.52 -0.09 -1.16 0.00 0.00 179.01 179.03 1jr0 h ARG 67 N 0.79 1.10 -0.78 2.33 2.43 -1.08 -2.08 114.38 117.09 1jr0 h ARG 67 Ca 0.19 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jr0 h ARG 67 Cb 0.22 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1jr0 h ARG 67 CO -0.01 0.75 0.49 1.98 -1.51 0.00 0.00 179.97 181.66 1jr0 h MET 68 N 1.12 1.05 -0.67 0.20 4.05 -0.75 0.65 114.93 120.58 1jr0 h MET 68 Ca 0.30 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1jr0 h MET 68 Cb -0.09 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.45 1jr0 h MET 68 CO -0.06 0.73 0.20 0.87 0.23 0.00 0.00 176.91 178.88 1jr0 h LYS 69 N 1.06 1.03 -0.50 0.39 1.57 -1.13 -0.03 116.57 118.96 1jr0 h LYS 69 Ca 0.28 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1jr0 h LYS 69 Cb -0.07 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 1jr0 h LYS 69 CO -0.06 0.88 0.27 -0.44 -0.57 0.00 0.00 179.45 179.54 1jr0 h ASP 70 N 0.99 0.41 -0.46 0.86 3.32 -0.66 -2.15 116.42 118.73 1jr0 h ASP 70 Ca 0.22 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1jr0 h ASP 70 Cb 0.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1jr0 h ASP 70 CO -0.01 0.29 0.16 0.74 -1.72 0.00 0.00 179.24 178.70 1jr0 h THR 71 N 0.53 1.22 -0.57 0.35 2.02 -0.38 -2.16 112.91 113.91 1jr0 h THR 71 Ca 0.21 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1jr0 h THR 71 Cb 0.08 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1jr0 h THR 71 CO -0.13 0.26 0.03 -0.07 0.37 0.00 0.00 175.52 175.98 1jr0 h LEU 72 N 0.61 0.94 -0.02 2.58 3.38 -0.89 0.34 115.31 122.24 1jr0 h LEU 72 Ca 0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1jr0 h LEU 72 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jr0 h LEU 72 CO -0.01 0.98 0.01 -0.09 0.09 0.00 0.00 178.44 179.42 1jr0 h ARG 73 N 0.90 0.02 -0.03 1.13 2.43 -1.25 0.91 114.38 118.49 1jr0 h ARG 73 Ca 0.17 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1jr0 h ARG 73 Cb 0.49 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1jr0 h ARG 73 CO 0.02 0.09 -0.68 0.97 -1.51 0.00 0.00 179.97 178.87 1jr0 h ILE 74 N -0.05 1.44 -0.39 1.20 2.10 -1.26 -1.42 117.51 119.12 1jr0 h ILE 74 Ca 0.01 -2.22 0.00 0.00 1.08 0.00 0.00 64.86 63.73 1jr0 h ILE 74 Cb 0.08 2.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 1jr0 h ILE 74 CO -0.00 0.64 0.24 0.00 -1.08 0.00 0.00 178.15 177.96 1jr0 h ALA 75 N 1.21 0.49 -0.00 0.18 0.00 -0.77 -0.57 119.26 119.80 1jr0 h ALA 75 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jr0 h ALA 75 Cb 1.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1jr0 h ALA 75 CO 0.10 -0.03 -0.16 -0.92 0.00 0.00 0.00 179.25 178.24 1jr0 h TYR 76 N 0.51 -0.41 0.00 0.00 3.20 -0.57 -1.31 116.97 118.40 1jr0 h TYR 76 Ca 0.14 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1jr0 h TYR 76 Cb -0.02 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1jr0 h TYR 76 CO -0.04 -0.23 -0.37 -0.07 -1.64 0.00 0.00 178.16 175.80 1jr0 h LEU 77 N -0.26 0.00 -0.93 2.82 3.38 -0.95 -2.41 115.31 116.96 1jr0 h LEU 77 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jr0 h LEU 77 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jr0 h LEU 77 CO -0.16 0.37 -0.09 0.35 0.09 0.00 0.00 178.44 179.01 1jr0 n THR 78 N -3.83 0.00 -2.75 0.22 -2.24 -0.25 -4.95 114.28 100.49 1jr0 n THR 78 Ca -0.01 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 1jr0 n THR 78 Cb 0.44 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.06 -3.26 -1.95 -0.78 1.02 -0.58 -4.94 120.64 110.21 1jr0 n GLU 79 Ca 0.16 0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 57.76 1jr0 n GLU 79 Cb 0.38 -5.62 -0.02 0.00 -0.02 0.00 0.00 31.44 26.16 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 3.71 0.07 0.62 0.00 -0.69 -4.71 121.76 117.72 1jr0 s ALA 80 Ca 0.16 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 53.20 1jr0 s ALA 80 Cb -0.08 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 1jr0 s ALA 80 CO 0.20 -0.79 1.39 0.21 0.00 0.00 0.00 175.76 176.77 1jr0 s LYS 81 N 0.24 4.31 -0.20 0.00 2.20 -1.26 -4.28 119.74 120.76 1jr0 s LYS 81 Ca 0.64 2.02 -0.22 0.00 -0.36 0.00 0.00 55.97 58.06 1jr0 s LYS 81 Cb -0.43 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1jr0 s LYS 81 CO 0.39 -0.48 0.68 0.08 -0.36 0.00 0.00 175.35 175.66 1jr0 s VAL 82 N 1.57 4.98 -0.01 4.02 1.01 0.15 -3.22 120.40 128.90 1jr0 s VAL 82 Ca 0.64 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1jr0 s VAL 82 Cb -0.35 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1jr0 s VAL 82 CO 0.29 0.08 0.14 -0.08 0.00 0.00 0.00 175.10 175.52 1jr0 h GLU 83 N 7.49 -0.03 -5.16 2.72 4.81 -1.08 0.92 114.58 124.26 1jr0 h GLU 83 Ca -0.30 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.57 1jr0 h GLU 83 Cb 1.14 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.34 1jr0 h GLU 83 CO 0.79 -0.02 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1jr0 s LYS 84 N -1.40 0.92 -0.07 1.92 1.02 -1.13 -0.72 119.74 120.29 1jr0 s LYS 84 Ca -0.00 -1.19 0.05 0.00 0.02 0.00 0.00 55.97 54.84 1jr0 s LYS 84 Cb 0.00 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1jr0 s LYS 84 CO 0.01 0.12 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.81 1jr0 s LEU 85 N -2.45 2.12 -0.22 3.17 1.43 -0.35 -1.16 118.68 121.21 1jr0 s LEU 85 Ca 0.07 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1jr0 s LEU 85 Cb -0.04 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1jr0 s LEU 85 CO 0.01 0.23 0.36 0.00 0.23 0.00 0.00 176.35 177.18 1jr0 s VAL 87 N 1.47 1.00 -0.10 0.00 -7.23 -0.42 -0.48 120.40 114.64 1jr0 s VAL 87 Ca 0.16 -1.57 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 1jr0 s VAL 87 Cb -0.15 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1jr0 s VAL 87 CO 0.08 -0.48 0.77 0.26 -0.31 0.00 0.00 175.10 175.41 1jr0 s TRP 88 N -2.18 3.53 -2.09 2.82 0.51 0.48 -1.32 118.94 120.69 1jr0 s TRP 88 Ca 0.04 1.28 0.22 0.00 -2.12 0.00 0.00 56.10 55.52 1jr0 s TRP 88 Cb -0.05 -2.90 0.59 0.00 -0.81 0.00 0.00 33.47 30.30 1jr0 s TRP 88 CO 0.01 -0.04 1.50 0.27 -0.51 0.00 0.00 176.95 178.18 1jr0 n ASN 89 N 4.31 3.69 -1.79 2.95 2.04 0.14 -1.83 115.26 124.77 1jr0 n ASN 89 Ca 0.01 -1.99 -0.00 0.00 -0.44 0.00 0.00 54.58 52.16 1jr0 n ASN 89 Cb 0.50 -0.43 0.31 0.00 -2.53 0.00 0.00 39.78 37.64 1jr0 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1jr0 n ASN 90 N 1.53 4.79 -4.11 0.53 6.94 -1.26 -4.88 115.26 118.80 1jr0 n ASN 90 Ca 0.23 -2.94 -0.14 0.00 -0.02 0.00 0.00 54.58 51.71 1jr0 n ASN 90 Cb 0.59 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 37.21 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 -2.60 0.67 -0.11 -3.83 -0.14 -1.25 -5.09 119.74 107.38 1jr0 s LYS 91 Ca 0.48 -0.94 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 1jr0 s LYS 91 Cb 0.37 -0.41 0.02 0.00 -1.68 0.00 0.00 37.83 36.13 1jr0 s LYS 91 CO 0.13 0.07 -0.13 0.99 -0.76 0.00 0.00 175.35 175.64 1jr0 s THR 92 N -1.84 1.40 0.85 2.17 2.01 -1.26 -2.93 115.64 116.04 1jr0 s THR 92 Ca -0.03 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 1jr0 s THR 92 Cb -0.07 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.18 1jr0 s THR 92 CO -0.00 0.42 0.71 -2.65 -0.69 0.00 0.00 174.62 172.42 1jr0 n PRO 93 N 4.44 -0.04 -1.60 4.92 -0.02 -1.26 -5.04 135.00 136.40 1jr0 n PRO 93 Ca -0.18 0.05 -0.45 0.00 -2.02 0.00 0.00 63.50 60.90 1jr0 n PRO 93 Cb 0.51 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 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 -3.28 1.36 -3.67 6.00 8.25 -1.15 -4.48 115.22 118.24 1jr0 n HIS 94 Ca 0.10 0.68 -0.36 0.00 -0.26 0.00 0.00 57.72 57.88 1jr0 n HIS 94 Cb 0.52 -2.27 -0.08 0.00 1.12 0.00 0.00 29.99 29.27 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 -0.88 3.65 0.04 -1.41 0.00 -0.76 -1.36 121.76 121.04 1jr0 s ALA 95 Ca 0.61 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1jr0 s ALA 95 Cb -0.71 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1jr0 s ALA 95 CO 0.58 0.00 1.35 0.42 0.00 0.00 0.00 175.76 178.12 1jr0 s ILE 96 N 0.67 3.68 -0.22 0.00 1.01 0.08 -0.38 121.20 126.03 1jr0 s ILE 96 Ca 0.09 1.14 0.10 0.00 0.00 0.00 0.00 60.65 61.98 1jr0 s ILE 96 Cb -0.12 -3.73 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 1jr0 s ILE 96 CO 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 174.94 174.93 1jr0 n ALA 97 N 4.65 1.50 -3.40 9.38 0.00 0.37 -4.83 120.51 128.18 1jr0 n ALA 97 Ca 0.12 -1.16 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1jr0 n ALA 97 Cb 0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.48 -1.56 0.00 0.00 0.00 -0.87 -4.98 121.76 111.88 1jr0 s ALA 98 Ca -0.21 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1jr0 s ALA 98 Cb 0.07 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1jr0 s ALA 98 CO 0.68 -0.62 -0.07 -1.50 0.00 0.00 0.00 175.76 174.24 1jr0 s ILE 99 N -2.93 0.56 0.01 0.00 2.07 -1.26 -1.16 121.20 118.48 1jr0 s ILE 99 Ca -0.03 -0.44 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 1jr0 s ILE 99 Cb -0.01 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 1jr0 s ILE 99 CO -0.06 0.06 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.88 1jr0 s SER 100 N -0.42 2.55 -0.08 4.50 1.04 -0.31 -5.01 113.70 115.98 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 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1jr0 s SER 100 CO -0.00 0.23 -0.19 -0.04 0.98 0.00 0.00 173.24 174.22 1jr0 s MET 101 N -0.79 2.34 0.14 4.02 -1.94 -1.26 -0.59 119.30 121.23 1jr0 s MET 101 Ca 0.08 -0.68 -0.24 0.00 -1.71 0.00 0.00 55.69 53.15 1jr0 s MET 101 Cb -0.09 -1.86 0.07 0.00 2.01 0.00 0.00 34.83 34.97 1jr0 s MET 101 CO 0.00 0.15 0.61 0.00 -0.01 0.00 0.00 175.02 175.78 1jr0 s ALA 102 N 0.36 -1.62 -2.20 3.03 0.00 -1.20 -4.87 121.76 115.27 1jr0 s ALA 102 Ca -0.14 0.55 0.30 0.00 0.00 0.00 0.00 51.96 52.68 1jr0 s ALA 102 Cb -0.16 0.83 1.56 0.00 0.00 0.00 0.00 23.12 25.35 1jr0 s ALA 102 CO 0.06 -0.75 2.03 0.27 0.00 0.00 0.00 175.76 177.38