#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r48 s ALA 1 N 0.00 2.88 -0.15 5.41 0.00 -1.26 -4.90 121.76 123.74 2r48 s ALA 1 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2r48 s ALA 1 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2r48 s ALA 1 CO 0.00 -0.71 -0.21 0.15 0.00 0.00 0.00 175.76 174.99 2r48 s LYS 2 N -2.88 2.99 0.24 0.00 1.02 -1.26 -2.07 119.74 117.78 2r48 s LYS 2 Ca 0.67 -0.84 0.12 0.00 0.02 0.00 0.00 55.97 55.93 2r48 s LYS 2 Cb -0.28 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2r48 s LYS 2 CO 0.33 -0.08 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.95 2r48 s LEU 3 N 0.98 2.54 0.10 3.17 1.43 -0.23 -0.44 118.68 126.24 2r48 s LEU 3 Ca -0.03 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 2r48 s LEU 3 Cb -0.15 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2r48 s LEU 3 CO -0.06 0.08 -0.11 -0.76 0.23 0.00 0.00 176.35 175.73 2r48 s LEU 4 N -3.09 2.41 0.04 1.79 1.43 -0.97 -2.82 118.68 117.47 2r48 s LEU 4 Ca 0.25 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 2r48 s LEU 4 Cb -0.07 -0.35 -0.00 0.00 0.03 0.00 0.00 46.19 45.80 2r48 s LEU 4 CO 0.13 -0.24 0.14 0.00 0.23 0.00 0.00 176.35 176.61 2r48 s ALA 5 N -2.40 -0.19 -0.04 4.21 0.00 -0.23 -0.76 121.76 122.35 2r48 s ALA 5 Ca 0.06 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2r48 s ALA 5 Cb -0.03 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2r48 s ALA 5 CO 0.01 -0.36 -0.19 0.42 0.00 0.00 0.00 175.76 175.64 2r48 s ILE 6 N -2.75 1.59 0.03 0.00 1.01 0.12 -0.61 121.20 120.57 2r48 s ILE 6 Ca -0.04 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 59.88 2r48 s ILE 6 Cb -0.00 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2r48 s ILE 6 CO -0.05 0.45 -0.26 0.42 0.00 0.00 0.00 174.94 175.50 2r48 s THR 7 N -0.12 2.07 -0.27 2.92 -4.23 -0.64 -1.04 115.64 114.33 2r48 s THR 7 Ca -0.01 -1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 2r48 s THR 7 Cb -0.11 -1.75 0.09 0.00 1.34 0.00 0.00 72.50 72.07 2r48 s THR 7 CO 0.02 0.41 0.63 -0.55 -0.54 0.00 0.00 174.62 174.59 2r48 s SER 8 N -1.06 -0.92 -0.06 3.99 0.15 -0.95 -0.78 113.70 114.07 2r48 s SER 8 Ca 0.11 1.44 0.01 0.00 0.70 0.00 0.00 55.95 58.21 2r48 s SER 8 Cb -0.10 1.60 0.02 0.00 -1.71 0.00 0.00 66.02 65.84 2r48 s SER 8 CO 0.01 -0.23 -0.07 0.00 1.20 0.00 0.00 173.24 174.15 2r48 n PRO 10 N 4.11 0.18 -3.53 0.00 -0.04 -1.26 -4.57 135.00 129.89 2r48 n PRO 10 Ca -0.22 0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2r48 n PRO 10 Cb 0.51 -1.89 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 2r48 n PRO 10 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2r48 s ASN 11 N -4.18 5.97 0.89 3.54 -0.87 -1.26 -4.84 114.94 114.18 2r48 s ASN 11 Ca 0.02 -0.63 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 2r48 s ASN 11 Cb 0.08 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 39.20 2r48 s ASN 11 CO 0.34 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.17 2r48 n GLY 12 N 5.09 0.98 0.00 0.66 0.00 -1.26 -4.62 105.19 106.04 2r48 n GLY 12 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2r48 n GLY 12 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2r48 n ILE 13 N 0.00 0.00 -0.20 -0.61 0.13 -1.26 -4.37 119.36 113.05 2r48 n ILE 13 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.58 2r48 n ILE 13 Cb 0.00 0.05 0.03 0.00 -0.84 0.00 0.00 39.64 38.88 2r48 n ILE 13 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2r48 h ALA 14 N 0.00 0.72 -0.70 1.51 0.00 -1.97 -1.67 119.26 117.15 2r48 h ALA 14 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2r48 h ALA 14 Cb 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2r48 h ALA 14 CO 0.00 0.22 0.32 0.45 0.00 0.00 0.00 179.25 180.23 2r48 h HIS 15 N 0.76 1.03 -0.44 0.00 3.86 -1.90 -2.88 115.15 115.58 2r48 h HIS 15 Ca 0.20 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2r48 h HIS 15 Cb 0.00 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.12 2r48 h HIS 15 CO -0.02 0.77 0.21 1.15 0.86 0.00 0.00 177.93 180.90 2r48 h THR 16 N 0.98 0.94 0.00 2.45 2.02 -1.74 -1.85 112.91 115.72 2r48 h THR 16 Ca 0.24 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2r48 h THR 16 Cb 0.15 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2r48 h THR 16 CO -0.03 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.72 2r48 n TYR 17 N -4.93 0.00 0.00 3.16 4.01 -0.68 -2.27 117.16 116.45 2r48 n TYR 17 Ca 0.03 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2r48 n TYR 17 Cb 0.12 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2r48 n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2r48 n ALA 19 N 0.75 0.00 -0.27 -0.72 0.00 -0.69 -0.96 120.51 118.62 2r48 n ALA 19 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2r48 n ALA 19 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.79 2r48 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r48 h ALA 20 N 0.00 0.95 -0.47 0.00 0.00 -1.71 -0.74 119.26 117.28 2r48 h ALA 20 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2r48 h ALA 20 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2r48 h ALA 20 CO 0.00 0.52 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 2r48 h GLU 21 N 1.03 0.95 0.03 0.00 5.08 -1.34 -1.52 114.58 118.81 2r48 h GLU 21 Ca 0.25 -0.39 -0.24 0.00 -1.00 0.00 0.00 59.36 57.98 2r48 h GLU 21 Cb 0.13 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2r48 h GLU 21 CO -0.03 1.05 -1.01 -0.91 -1.00 0.00 0.00 179.01 177.11 2r48 h ASN 22 N 0.80 0.56 -0.78 1.42 4.21 -1.78 -1.14 115.58 118.87 2r48 h ASN 22 Ca 0.11 -0.47 -0.04 0.00 1.21 0.00 0.00 56.30 57.11 2r48 h ASN 22 Cb 0.74 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 2r48 h ASN 22 CO 0.06 1.29 0.33 -0.07 -1.29 0.00 0.00 177.43 177.75 2r48 h LEU 23 N 0.22 1.06 -0.29 1.61 3.38 -1.11 -1.25 115.31 118.93 2r48 h LEU 23 Ca -0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2r48 h LEU 23 Cb 1.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2r48 h LEU 23 CO 0.18 0.93 0.02 -0.61 0.09 0.00 0.00 178.44 179.05 2r48 h GLN 24 N 1.12 0.49 -0.54 1.13 5.75 -0.98 -1.23 115.11 120.85 2r48 h GLN 24 Ca 0.26 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 2r48 h GLN 24 Cb 0.18 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2r48 h GLN 24 CO -0.03 0.62 0.06 0.87 -2.65 0.00 0.00 178.83 177.71 2r48 h LYS 25 N 0.29 0.88 -0.61 1.69 1.57 -1.19 -1.06 116.57 118.14 2r48 h LYS 25 Ca 0.08 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2r48 h LYS 25 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2r48 h LYS 25 CO 0.01 0.83 0.14 0.00 -0.57 0.00 0.00 179.45 179.87 2r48 h ALA 26 N 1.24 0.80 -0.13 3.86 0.00 -0.97 -1.38 119.26 122.68 2r48 h ALA 26 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2r48 h ALA 26 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2r48 h ALA 26 CO 0.01 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.85 2r48 h ALA 27 N 1.04 0.17 -0.59 0.00 0.00 -1.00 -0.62 119.26 118.26 2r48 h ALA 27 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2r48 h ALA 27 Cb 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2r48 h ALA 27 CO 0.00 -0.30 0.32 -0.44 0.00 0.00 0.00 179.25 178.84 2r48 h ASP 28 N 0.11 0.48 -0.73 0.00 3.32 -0.90 0.14 116.42 118.84 2r48 h ASP 28 Ca 0.05 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2r48 h ASP 28 Cb 0.08 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2r48 h ASP 28 CO -0.01 0.32 0.42 0.03 -1.72 0.00 0.00 179.24 178.28 2r48 h ARG 29 N 0.61 1.01 -0.01 3.56 3.08 -1.07 -2.24 114.38 119.32 2r48 h ARG 29 Ca 0.26 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2r48 h ARG 29 Cb 0.14 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2r48 h ARG 29 CO -0.16 0.73 -0.15 1.28 -1.07 0.00 0.00 179.97 180.59 2r48 n LEU 30 N -4.37 0.81 -1.98 3.04 4.77 -0.26 -4.92 117.00 114.08 2r48 n LEU 30 Ca 0.08 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 2r48 n LEU 30 Cb 0.08 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2r48 n LEU 30 CO 0.38 0.15 -0.01 0.61 -1.33 0.00 0.00 177.39 177.18 2r48 n GLY 31 N 1.28 -0.09 3.56 -0.72 0.00 -0.16 -5.04 105.19 104.03 2r48 n GLY 31 Ca 0.14 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2r48 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r48 s VAL 32 N -2.93 3.43 0.18 1.61 1.01 0.31 -4.57 120.40 119.45 2r48 s VAL 32 Ca 0.18 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 2r48 s VAL 32 Cb -0.08 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 2r48 s VAL 32 CO 0.23 0.43 0.86 -0.55 0.00 0.00 0.00 175.10 176.06 2r48 s SER 33 N -1.29 7.49 -0.05 3.32 0.15 -0.88 -4.13 113.70 118.32 2r48 s SER 33 Ca 0.16 1.76 -0.15 0.00 0.70 0.00 0.00 55.95 58.42 2r48 s SER 33 Cb -0.11 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2r48 s SER 33 CO 0.06 0.15 0.33 -0.51 1.20 0.00 0.00 173.24 174.47 2r48 s ILE 34 N -0.97 0.04 -0.05 6.45 2.07 -1.26 -1.06 121.20 126.43 2r48 s ILE 34 Ca 0.39 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 2r48 s ILE 34 Cb -0.24 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 2r48 s ILE 34 CO 0.29 -0.18 -0.16 -0.75 -1.91 0.00 0.00 174.94 172.22 2r48 s LYS 35 N -0.91 1.74 -0.21 3.50 2.20 -1.13 -5.00 119.74 119.94 2r48 s LYS 35 Ca -0.10 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2r48 s LYS 35 Cb -0.04 -1.51 0.03 0.00 -1.51 0.00 0.00 37.83 34.80 2r48 s LYS 35 CO 0.03 0.21 -0.15 0.08 -0.36 0.00 0.00 175.35 175.16 2r48 s VAL 36 N 0.11 2.25 -0.05 4.02 1.01 -1.26 -1.07 120.40 125.41 2r48 s VAL 36 Ca -0.05 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 2r48 s VAL 36 Cb -0.12 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2r48 s VAL 36 CO 0.02 0.36 0.60 -0.70 0.00 0.00 0.00 175.10 175.39 2r48 s GLU 37 N 1.26 4.36 0.03 2.72 2.12 0.22 -4.76 118.70 124.65 2r48 s GLU 37 Ca 0.01 0.71 0.01 0.00 0.36 0.00 0.00 54.97 56.07 2r48 s GLU 37 Cb -0.15 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2r48 s GLU 37 CO -0.10 0.22 0.06 0.95 -0.54 0.00 0.00 175.26 175.86 2r48 s THR 38 N 0.32 4.54 -0.49 -1.70 -4.23 -0.49 -1.62 115.64 111.96 2r48 s THR 38 Ca 0.32 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 60.27 2r48 s THR 38 Cb -0.17 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 70.70 2r48 s THR 38 CO 0.16 0.26 0.29 -1.10 -0.54 0.00 0.00 174.62 173.70 2r48 s GLN 39 N -1.96 1.52 0.52 3.99 -0.21 0.04 -0.99 119.66 122.57 2r48 s GLN 39 Ca 0.25 -2.31 0.06 0.00 0.02 0.00 0.00 55.36 53.38 2r48 s GLN 39 Cb -0.12 -2.53 0.03 0.00 1.00 0.00 0.00 33.01 31.39 2r48 s GLN 39 CO 0.16 -1.20 0.43 0.20 -2.12 0.00 0.00 175.29 172.77 2r48 s GLY 40 N -0.05 2.27 0.33 3.09 0.00 -0.75 -4.07 107.32 108.14 2r48 s GLY 40 Ca 0.20 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.53 2r48 s GLY 40 CO -0.05 -1.88 1.77 -1.33 0.00 0.00 0.00 173.10 171.61 2r48 h GLY 41 N 0.76 1.70 2.00 0.20 0.00 -1.83 -1.02 103.07 104.88 2r48 h GLY 41 Ca -0.37 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2r48 h GLY 41 CO 0.56 -0.12 0.00 -2.22 0.00 0.00 0.00 176.54 174.76 2r48 h ILE 42 N 0.65 0.00 0.00 2.60 1.08 -1.94 -3.48 117.51 116.42 2r48 h ILE 42 Ca 0.59 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 2r48 h ILE 42 Cb 1.08 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 2r48 h ILE 42 CO -0.39 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.68 2r48 n GLY 43 N -0.15 0.78 3.73 5.37 0.00 -0.39 -5.04 105.19 109.50 2r48 n GLY 43 Ca 0.01 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2r48 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r48 s VAL 44 N -1.24 4.56 0.13 1.61 1.01 -1.26 -1.81 120.40 123.40 2r48 s VAL 44 Ca 0.00 2.04 0.07 0.00 0.00 0.00 0.00 61.98 64.09 2r48 s VAL 44 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2r48 s VAL 44 CO 0.00 0.30 -0.16 -1.61 0.00 0.00 0.00 175.10 173.63 2r48 s GLU 45 N 0.12 1.11 -1.34 2.72 2.02 -0.16 -4.81 118.70 118.36 2r48 s GLU 45 Ca 0.47 -1.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 2r48 s GLU 45 Cb -0.23 -1.08 0.02 0.00 0.10 0.00 0.00 34.13 32.94 2r48 s GLU 45 CO 0.29 0.22 0.89 -1.71 0.02 0.00 0.00 175.26 174.96 2r48 n ASN 46 N 0.51 -2.79 -4.74 -0.19 5.15 -1.26 -1.40 115.26 110.54 2r48 n ASN 46 Ca -0.15 -0.73 -0.42 0.00 -0.60 0.00 0.00 54.58 52.68 2r48 n ASN 46 Cb 0.57 -4.37 -0.02 0.00 -0.53 0.00 0.00 39.78 35.43 2r48 n ASN 46 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2r48 n LYS 47 N -4.43 2.74 -2.02 1.20 4.81 -1.26 -3.88 118.16 115.32 2r48 n LYS 47 Ca -0.19 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 57.84 2r48 n LYS 47 Cb 0.63 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.91 2r48 n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2r48 s LEU 48 N -0.29 4.16 0.33 3.14 1.43 -1.26 -5.01 118.68 121.18 2r48 s LEU 48 Ca 0.65 2.67 -0.02 0.00 -1.03 0.00 0.00 54.13 56.40 2r48 s LEU 48 Cb -0.49 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2r48 s LEU 48 CO 0.46 -0.94 0.56 0.42 0.23 0.00 0.00 176.35 177.08 2r48 s THR 49 N -1.28 5.06 0.29 5.49 -4.23 -1.26 -5.01 115.64 114.71 2r48 s THR 49 Ca 0.59 -0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 2r48 s THR 49 Cb -0.38 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 69.94 2r48 s THR 49 CO 0.49 -0.47 1.78 -0.08 -0.54 0.00 0.00 174.62 175.79 2r48 h GLU 50 N 1.14 0.74 -0.26 3.99 4.81 -1.99 -1.41 114.58 121.60 2r48 h GLU 50 Ca -0.49 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 2r48 h GLU 50 Cb 1.20 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2r48 h GLU 50 CO 0.64 0.49 -0.19 0.93 -0.73 0.00 0.00 179.01 180.15 2r48 h GLU 51 N 0.76 0.58 -0.92 1.92 3.07 -1.99 -1.06 114.58 116.94 2r48 h GLU 51 Ca 0.55 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 2r48 h GLU 51 Cb 0.80 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.67 2r48 h GLU 51 CO -0.37 0.86 0.53 0.93 -1.40 0.00 0.00 179.01 179.56 2r48 h GLU 52 N 0.31 1.27 -0.52 2.33 5.08 -1.87 -1.89 114.58 119.29 2r48 h GLU 52 Ca 0.05 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2r48 h GLU 52 Cb 0.72 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2r48 h GLU 52 CO 0.05 0.91 -0.12 0.82 -1.00 0.00 0.00 179.01 179.68 2r48 h ILE 53 N 1.29 1.27 -0.69 3.13 2.04 -1.13 -1.25 117.51 122.17 2r48 h ILE 53 Ca 0.33 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2r48 h ILE 53 Cb -0.01 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2r48 h ILE 53 CO -0.06 0.45 0.45 -0.09 0.00 0.00 0.00 178.15 178.90 2r48 h ARG 54 N 0.87 0.91 0.00 2.37 2.43 -0.75 -2.82 114.38 117.39 2r48 h ARG 54 Ca 0.13 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2r48 h ARG 54 Cb 0.69 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2r48 h ARG 54 CO 0.05 0.60 -0.05 0.93 -1.51 0.00 0.00 179.97 180.00 2r48 h GLU 55 N 0.93 0.00 -6.96 0.20 5.08 -1.13 -3.47 114.58 109.23 2r48 h GLU 55 Ca 0.25 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.07 2r48 h GLU 55 Cb -0.10 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.25 2r48 h GLU 55 CO -0.05 0.05 0.73 0.00 -1.00 0.00 0.00 179.01 178.74 2r48 s ALA 56 N -3.23 3.42 0.18 3.43 0.00 -0.49 -4.89 121.76 120.18 2r48 s ALA 56 Ca 0.06 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 2r48 s ALA 56 Cb 0.06 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.64 2r48 s ALA 56 CO 0.67 -1.08 1.43 -0.44 0.00 0.00 0.00 175.76 176.33 2r48 h ASP 57 N 2.73 0.45 -4.95 0.00 3.32 -1.09 -3.48 116.42 113.41 2r48 h ASP 57 Ca -0.51 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.29 2r48 h ASP 57 Cb 1.25 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 2r48 h ASP 57 CO 0.63 1.04 0.32 0.00 -1.72 0.00 0.00 179.24 179.51 2r48 s ALA 58 N -3.58 -1.60 -0.07 3.45 0.00 -1.24 -4.56 121.76 114.17 2r48 s ALA 58 Ca -0.05 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2r48 s ALA 58 Cb 0.10 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2r48 s ALA 58 CO 0.84 -0.83 -0.23 0.42 0.00 0.00 0.00 175.76 175.96 2r48 s ILE 59 N -3.57 2.20 -0.15 0.00 -1.09 0.02 -2.28 121.20 116.33 2r48 s ILE 59 Ca 0.05 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 2r48 s ILE 59 Cb -0.02 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 2r48 s ILE 59 CO -0.07 0.57 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.46 2r48 s ILE 60 N -0.05 3.05 -0.22 2.92 1.01 0.06 -0.71 121.20 127.26 2r48 s ILE 60 Ca -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2r48 s ILE 60 Cb -0.15 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.03 2r48 s ILE 60 CO 0.05 0.50 -0.09 -0.63 0.00 0.00 0.00 174.94 174.77 2r48 s ILE 61 N 0.67 2.77 -0.37 2.92 1.01 0.61 -0.71 121.20 128.10 2r48 s ILE 61 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2r48 s ILE 61 Cb -0.15 -2.32 0.10 0.00 0.01 0.00 0.00 42.46 40.10 2r48 s ILE 61 CO 0.02 0.34 0.13 0.00 0.00 0.00 0.00 174.94 175.43 2r48 s ALA 62 N 1.35 3.03 -0.09 9.38 0.00 -0.21 -0.00 121.76 135.22 2r48 s ALA 62 Ca 0.03 -2.49 -0.12 0.00 0.00 0.00 0.00 51.96 49.38 2r48 s ALA 62 Cb -0.15 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.80 2r48 s ALA 62 CO -0.06 -1.72 0.30 0.00 0.00 0.00 0.00 175.76 174.28 2r48 s ALA 63 N 1.05 -0.75 -0.65 0.00 0.00 0.02 -2.25 121.76 119.17 2r48 s ALA 63 Ca 0.08 0.69 0.16 0.00 0.00 0.00 0.00 51.96 52.90 2r48 s ALA 63 Cb -0.21 -0.34 0.64 0.00 0.00 0.00 0.00 23.12 23.21 2r48 s ALA 63 CO -0.06 -0.18 1.56 -0.25 0.00 0.00 0.00 175.76 176.83 2r48 n ASP 64 N 2.44 4.52 -4.15 0.00 8.00 0.23 -3.75 116.55 123.83 2r48 n ASP 64 Ca -0.15 -2.65 -0.10 0.00 0.71 0.00 0.00 54.79 52.60 2r48 n ASP 64 Cb 0.57 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2r48 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r48 s ARG 65 N -2.20 0.88 0.14 -1.24 1.70 -1.26 -4.70 118.95 112.27 2r48 s ARG 65 Ca 0.46 -1.40 -0.31 0.00 -0.47 0.00 0.00 55.73 54.01 2r48 s ARG 65 Cb 0.33 0.09 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 2r48 s ARG 65 CO 0.17 -0.18 1.44 -1.12 -1.08 0.00 0.00 175.30 174.54 2r48 s SER 66 N -3.04 6.74 -0.12 -2.89 0.01 -1.26 -5.00 113.70 108.14 2r48 s SER 66 Ca 0.19 2.44 -0.00 0.00 1.31 0.00 0.00 55.95 59.89 2r48 s SER 66 Cb 0.07 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2r48 s SER 66 CO -0.01 -0.70 -0.10 -0.69 0.41 0.00 0.00 173.24 172.15 2r48 s VAL 67 N 1.00 3.39 0.12 3.43 1.01 -1.26 -5.08 120.40 123.01 2r48 s VAL 67 Ca 0.66 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 2r48 s VAL 67 Cb -0.39 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 2r48 s VAL 67 CO 0.32 0.54 1.41 0.21 0.00 0.00 0.00 175.10 177.57 2r48 s ASN 68 N 0.01 6.80 -0.04 3.32 3.84 -1.26 -4.91 114.94 122.71 2r48 s ASN 68 Ca -0.02 2.35 0.10 0.00 0.21 0.00 0.00 52.86 55.50 2r48 s ASN 68 Cb -0.14 -2.59 0.30 0.00 -0.55 0.00 0.00 41.25 38.27 2r48 s ASN 68 CO 0.04 -0.67 1.24 0.29 -2.79 0.00 0.00 177.10 175.20 2r48 n LYS 69 N 4.00 2.85 0.28 0.43 5.02 -1.26 -4.71 118.16 124.77 2r48 n LYS 69 Ca 0.12 -2.13 0.12 0.00 -2.02 0.00 0.00 58.31 54.40 2r48 n LYS 69 Cb 0.42 -1.34 0.78 0.00 -0.02 0.00 0.00 35.03 34.87 2r48 n LYS 69 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2r48 h ASP 70 N 1.61 0.00 0.47 4.39 3.32 -2.02 -0.22 116.42 123.96 2r48 h ASP 70 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2r48 h ASP 70 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2r48 h ASP 70 CO 0.04 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.12 2r48 n ARG 71 N -4.12 0.09 -0.24 3.56 1.74 -1.26 -3.48 116.66 112.95 2r48 n ARG 71 Ca -0.03 0.40 0.06 0.00 -0.77 0.00 0.00 57.85 57.51 2r48 n ARG 71 Cb 0.10 -1.70 0.17 0.00 -1.02 0.00 0.00 32.46 30.01 2r48 n ARG 71 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2r48 n PHE 72 N -1.88 0.52 -1.70 -1.55 3.72 -0.10 -4.98 117.46 111.50 2r48 n PHE 72 Ca 0.02 -0.69 -0.44 0.00 -0.05 0.00 0.00 57.45 56.29 2r48 n PHE 72 Cb 0.16 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2r48 n PHE 72 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2r48 n ILE 73 N -0.20 0.10 -0.59 4.37 2.08 -1.23 -0.72 119.36 123.18 2r48 n ILE 73 Ca 0.14 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.43 2r48 n ILE 73 Cb 0.59 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 2r48 n ILE 73 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2r48 n GLY 74 N 3.86 1.26 3.89 7.39 0.00 0.21 -5.00 105.19 116.81 2r48 n GLY 74 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2r48 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r48 s LYS 75 N -0.21 3.40 0.00 1.61 -0.14 0.11 -4.83 119.74 119.68 2r48 s LYS 75 Ca 0.00 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 53.98 2r48 s LYS 75 Cb 0.00 -3.08 -0.06 0.00 -1.68 0.00 0.00 37.83 33.01 2r48 s LYS 75 CO 0.00 0.68 1.44 0.15 -0.76 0.00 0.00 175.35 176.86 2r48 s LYS 76 N -1.86 4.27 -0.03 1.68 1.02 -1.26 -0.39 119.74 123.17 2r48 s LYS 76 Ca 0.26 2.01 0.01 0.00 0.02 0.00 0.00 55.97 58.28 2r48 s LYS 76 Cb -0.13 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 2r48 s LYS 76 CO 0.17 -0.61 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.77 2r48 s LEU 77 N 2.50 1.53 -0.21 3.17 0.20 -0.91 -0.80 118.68 124.15 2r48 s LEU 77 Ca 0.65 -0.13 -0.05 0.00 0.69 0.00 0.00 54.13 55.30 2r48 s LEU 77 Cb -0.32 -0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 45.00 2r48 s LEU 77 CO 0.27 -0.01 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.08 2r48 s LEU 78 N 0.60 3.10 -0.22 -0.68 2.96 0.12 -4.48 118.68 120.07 2r48 s LEU 78 Ca -0.08 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2r48 s LEU 78 Cb -0.11 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2r48 s LEU 78 CO 0.00 0.02 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.37 2r48 s SER 79 N 1.26 3.76 0.40 3.68 0.15 -1.26 -0.28 113.70 121.40 2r48 s SER 79 Ca 0.03 -1.04 0.05 0.00 0.70 0.00 0.00 55.95 55.70 2r48 s SER 79 Cb -0.15 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2r48 s SER 79 CO 0.00 -0.13 0.19 0.68 1.20 0.00 0.00 173.24 175.18 2r48 s VAL 80 N 1.25 0.36 0.75 4.45 -7.23 1.00 -4.99 120.40 115.99 2r48 s VAL 80 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2r48 s VAL 80 Cb -0.17 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2r48 s VAL 80 CO -0.08 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 174.96 2r48 s GLY 81 N -3.56 1.65 0.42 2.32 0.00 -1.26 -0.80 107.32 106.10 2r48 s GLY 81 Ca 0.27 0.04 0.10 0.00 0.00 0.00 0.00 44.72 45.14 2r48 s GLY 81 CO 0.19 0.41 2.01 -0.24 0.00 0.00 0.00 173.10 175.46 2r48 h VAL 82 N -0.97 1.12 -0.57 1.40 3.04 -1.74 -2.97 116.25 115.56 2r48 h VAL 82 Ca -0.45 -0.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.75 2r48 h VAL 82 Cb 1.23 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 2r48 h VAL 82 CO 0.56 0.15 0.10 1.56 -1.01 0.00 0.00 177.57 178.92 2r48 h GLN 83 N 0.27 0.91 -0.84 4.17 1.08 -1.93 -1.37 115.11 117.40 2r48 h GLN 83 Ca 0.07 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 2r48 h GLN 83 Cb 0.16 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2r48 h GLN 83 CO 0.00 0.84 0.40 -0.44 -0.95 0.00 0.00 178.83 178.69 2r48 h ASP 84 N 0.87 1.10 -0.51 1.46 3.32 -1.91 0.31 116.42 121.06 2r48 h ASP 84 Ca 0.18 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2r48 h ASP 84 Cb 0.38 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2r48 h ASP 84 CO 0.01 0.93 0.29 1.23 -1.72 0.00 0.00 179.24 179.98 2r48 h GLY 85 N 1.20 0.79 0.68 2.75 0.00 -1.34 0.75 103.07 107.90 2r48 h GLY 85 Ca 0.29 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 2r48 h GLY 85 CO -0.04 0.33 -0.77 -2.22 0.00 0.00 0.00 176.54 173.84 2r48 h ILE 86 N 0.75 1.51 0.00 2.60 2.04 -0.91 -3.35 117.51 120.14 2r48 h ILE 86 Ca 0.19 -2.49 -0.30 0.00 1.00 0.00 0.00 64.86 63.26 2r48 h ILE 86 Cb 0.02 3.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 2r48 h ILE 86 CO -0.03 0.70 -1.96 0.54 0.00 0.00 0.00 178.15 177.40 2r48 n ARG 87 N -4.15 0.65 -2.63 2.37 1.74 0.11 -4.54 116.66 110.22 2r48 n ARG 87 Ca -0.13 0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2r48 n ARG 87 Cb 0.80 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.59 2r48 n ARG 87 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2r48 n LYS 88 N -2.88 1.68 -0.25 5.56 2.85 0.25 -4.94 118.16 120.44 2r48 n LYS 88 Ca -0.22 -3.53 0.02 0.00 -1.05 0.00 0.00 58.31 53.52 2r48 n LYS 88 Cb 1.05 -1.49 0.24 0.00 -0.65 0.00 0.00 35.03 34.19 2r48 n LYS 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2r48 h PRO 89 N 2.87 1.00 -0.73 -1.58 0.13 -1.68 -2.05 132.00 129.95 2r48 h PRO 89 Ca -0.02 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2r48 h PRO 89 Cb 1.15 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 2r48 h PRO 89 CO 0.55 0.66 0.47 0.93 -0.23 0.00 0.00 178.00 180.37 2r48 h GLU 90 N 1.03 0.97 -0.25 0.86 5.08 -1.90 -1.29 114.58 119.08 2r48 h GLU 90 Ca 0.32 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2r48 h GLU 90 Cb 0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2r48 h GLU 90 CO -0.09 0.67 -0.24 1.49 -1.00 0.00 0.00 179.01 179.84 2r48 h GLU 91 N 0.99 0.47 -0.53 2.33 4.81 -1.79 0.59 114.58 121.46 2r48 h GLU 91 Ca 0.27 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2r48 h GLU 91 Cb -0.08 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2r48 h GLU 91 CO -0.05 0.68 0.03 -0.07 -0.73 0.00 0.00 179.01 178.87 2r48 h LEU 92 N 0.42 0.89 -0.34 1.64 3.38 -1.06 -0.21 115.31 120.02 2r48 h LEU 92 Ca 0.06 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2r48 h LEU 92 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2r48 h LEU 92 CO 0.05 0.96 -0.31 0.40 0.09 0.00 0.00 178.44 179.62 2r48 h ILE 93 N 0.79 1.29 -0.41 1.22 2.04 -0.87 0.65 117.51 122.21 2r48 h ILE 93 Ca 0.15 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2r48 h ILE 93 Cb 0.48 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2r48 h ILE 93 CO 0.02 0.49 0.16 1.56 0.00 0.00 0.00 178.15 180.38 2r48 h GLN 94 N 0.60 0.61 -0.68 2.37 4.20 -0.87 -1.76 115.11 119.58 2r48 h GLN 94 Ca 0.06 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2r48 h GLN 94 Cb 0.89 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2r48 h GLN 94 CO 0.08 0.58 0.15 -0.22 -0.67 0.00 0.00 178.83 178.75 2r48 h LYS 95 N 0.51 1.08 -0.87 1.46 1.63 -0.86 0.11 116.57 119.64 2r48 h LYS 95 Ca 0.14 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2r48 h LYS 95 Cb 0.20 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2r48 h LYS 95 CO -0.01 0.96 0.44 0.00 -3.45 0.00 0.00 179.45 177.39 2r48 h ALA 96 N 1.14 1.11 0.00 5.00 0.00 -0.64 -2.93 119.26 122.94 2r48 h ALA 96 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r48 h ALA 96 Cb 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2r48 h ALA 96 CO 0.00 0.65 -0.65 1.28 0.00 0.00 0.00 179.25 180.54 2r48 n LEU 97 N -4.33 0.62 0.19 0.00 4.77 -0.68 -3.38 117.00 114.20 2r48 n LEU 97 Ca 0.09 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2r48 n LEU 97 Cb 0.12 -0.19 0.60 0.00 -2.33 0.00 0.00 43.42 41.62 2r48 n LEU 97 CO 0.39 0.01 0.92 -1.13 -1.33 0.00 0.00 177.39 176.25 2r48 h ASN 98 N 0.00 0.00 0.00 -1.43 -1.24 -0.59 -3.47 115.58 108.86 2r48 h ASN 98 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2r48 h ASN 98 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 2r48 h ASN 98 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2r48 n GLY 99 N -0.15 2.78 2.38 1.57 0.00 -1.22 -4.90 105.19 105.66 2r48 n GLY 99 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2r48 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r48 n ASP 100 N 0.00 4.58 -3.93 1.61 8.00 -1.26 -4.77 116.55 120.77 2r48 n ASP 100 Ca 0.00 -2.25 -0.16 0.00 0.71 0.00 0.00 54.79 53.09 2r48 n ASP 100 Cb 0.00 -1.05 -0.15 0.00 -0.02 0.00 0.00 41.12 39.90 2r48 n ASP 100 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2r48 s ILE 101 N 2.49 0.34 0.72 0.53 -4.36 -1.26 -5.05 121.20 114.60 2r48 s ILE 101 Ca 0.44 -0.15 -0.13 0.00 -0.26 0.00 0.00 60.65 60.55 2r48 s ILE 101 Cb 0.16 -0.31 0.03 0.00 1.25 0.00 0.00 42.46 43.59 2r48 s ILE 101 CO -0.02 0.11 1.10 -2.84 0.24 0.00 0.00 174.94 173.53 2r48 s PRO 102 N 0.09 2.52 -0.08 0.37 0.02 -1.26 -4.72 135.00 131.95 2r48 s PRO 102 Ca -0.01 1.28 -0.23 0.00 0.02 0.00 0.00 61.00 62.07 2r48 s PRO 102 Cb -0.04 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2r48 s PRO 102 CO -0.00 -1.45 0.67 0.08 -0.33 0.00 0.00 177.00 175.96 2r48 s VAL 103 N -2.62 5.07 -2.00 3.83 1.01 -1.26 -2.15 120.40 122.28 2r48 s VAL 103 Ca 0.64 1.37 0.27 0.00 0.00 0.00 0.00 61.98 64.26 2r48 s VAL 103 Cb -0.19 -4.01 0.76 0.00 0.00 0.00 0.00 36.38 32.94 2r48 s VAL 103 CO 0.49 0.26 1.94 0.00 0.00 0.00 0.00 175.10 177.79