#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj n SER 2 N 0.00 -0.44 -3.65 1.61 7.64 -1.26 -5.04 113.62 112.49 2ekj n SER 2 Ca 0.00 0.51 -0.14 0.00 1.01 0.00 0.00 58.87 60.25 2ekj n SER 2 Cb 0.00 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 61.78 2ekj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ekj s SER 3 N -1.96 -0.35 0.00 6.43 0.15 -1.26 -5.11 113.70 111.60 2ekj s SER 3 Ca 0.66 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2ekj s SER 3 Cb -0.28 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2ekj s SER 3 CO 0.58 -0.61 0.29 0.61 1.20 0.00 0.00 173.24 175.31 2ekj n GLY 4 N 0.75 -0.70 3.63 9.45 0.00 -1.26 -4.88 105.19 112.17 2ekj n GLY 4 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2ekj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj s SER 5 N -2.03 2.47 0.44 1.61 0.01 -1.26 -4.97 113.70 109.96 2ekj s SER 5 Ca 0.00 1.77 -0.23 0.00 1.31 0.00 0.00 55.95 58.79 2ekj s SER 5 Cb 0.00 -2.38 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 2ekj s SER 5 CO 0.00 -3.32 1.13 -0.44 0.41 0.00 0.00 173.24 171.03 2ekj s SER 6 N -2.85 6.37 0.00 2.44 0.01 -1.26 -4.92 113.70 113.50 2ekj s SER 6 Ca 0.66 2.23 0.00 0.00 1.31 0.00 0.00 55.95 60.16 2ekj s SER 6 Cb -0.22 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2ekj s SER 6 CO 0.60 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2ekj n GLY 7 N 0.43 -1.11 3.64 3.44 0.00 -1.26 -5.07 105.19 105.26 2ekj n GLY 7 Ca 0.06 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2ekj n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ekj s ARG 8 N -0.72 4.14 -0.10 1.61 0.52 -1.26 -4.33 118.95 118.82 2ekj s ARG 8 Ca 0.00 0.67 -0.00 0.00 -0.52 0.00 0.00 55.73 55.87 2ekj s ARG 8 Cb 0.00 -3.64 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2ekj s ARG 8 CO 0.00 -0.42 -0.06 0.45 0.02 0.00 0.00 175.30 175.29 2ekj s SER 9 N 1.40 1.98 0.75 0.23 0.15 -1.26 -4.94 113.70 112.02 2ekj s SER 9 Ca 0.29 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 2ekj s SER 9 Cb -0.15 -0.73 0.05 0.00 -1.71 0.00 0.00 66.02 63.47 2ekj s SER 9 CO 0.08 -0.13 1.09 -2.16 1.20 0.00 0.00 173.24 173.33 2ekj s PRO 10 N 1.69 2.36 0.05 5.44 0.04 -1.26 -4.69 135.00 138.63 2ekj s PRO 10 Ca 0.04 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 2ekj s PRO 10 Cb -0.13 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2ekj s PRO 10 CO -0.07 -1.57 1.41 -1.25 0.04 0.00 0.00 177.00 175.56 2ekj s PRO 11 N -4.75 4.30 0.48 0.56 0.04 -1.26 -4.86 135.00 129.50 2ekj s PRO 11 Ca 0.62 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.73 2ekj s PRO 11 Cb -0.18 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 2ekj s PRO 11 CO 0.53 -0.52 0.13 -1.12 0.04 0.00 0.00 177.00 176.06 2ekj s SER 12 N 1.59 4.26 -1.16 6.66 0.01 -1.25 -4.77 113.70 119.05 2ekj s SER 12 Ca 0.65 -1.40 -0.06 0.00 1.31 0.00 0.00 55.95 56.44 2ekj s SER 12 Cb -0.34 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2ekj s SER 12 CO 0.29 -0.78 1.00 0.59 0.41 0.00 0.00 173.24 174.74 2ekj n ASN 13 N -1.32 -4.95 -4.72 2.44 3.02 -1.26 -1.50 115.26 106.97 2ekj n ASN 13 Ca -0.09 -0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 2ekj n ASN 13 Cb 0.66 -4.49 -0.03 0.00 -0.61 0.00 0.00 39.78 35.31 2ekj n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ekj s LEU 14 N -6.36 4.37 -0.23 3.41 1.43 -1.26 -4.49 118.68 115.54 2ekj s LEU 14 Ca 0.39 2.66 -0.03 0.00 -1.03 0.00 0.00 54.13 56.12 2ekj s LEU 14 Cb -0.17 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.53 2ekj s LEU 14 CO 0.64 -0.85 0.07 0.00 0.23 0.00 0.00 176.35 176.44 2ekj s ALA 15 N 1.21 0.98 -0.33 4.21 0.00 -1.01 -5.03 121.76 121.79 2ekj s ALA 15 Ca 0.71 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 2ekj s ALA 15 Cb -0.45 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 2ekj s ALA 15 CO 0.31 -1.37 0.61 -0.51 0.00 0.00 0.00 175.76 174.80 2ekj s LEU 16 N 1.88 4.21 -0.16 0.00 1.02 -1.26 -2.45 118.68 121.92 2ekj s LEU 16 Ca 0.04 0.25 -0.01 0.00 0.02 0.00 0.00 54.13 54.43 2ekj s LEU 16 Cb -0.17 -2.76 -0.01 0.00 0.02 0.00 0.00 46.19 43.27 2ekj s LEU 16 CO -0.17 -0.52 -0.11 0.00 0.02 0.00 0.00 176.35 175.57 2ekj s ALA 17 N 2.61 2.66 -0.24 4.21 0.00 0.14 -4.91 121.76 126.23 2ekj s ALA 17 Ca 0.24 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 2ekj s ALA 17 Cb -0.15 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2ekj s ALA 17 CO 0.13 -0.03 0.21 0.45 0.00 0.00 0.00 175.76 176.52 2ekj s SER 18 N 0.81 6.15 -0.03 0.00 0.15 -1.26 0.47 113.70 119.98 2ekj s SER 18 Ca -0.04 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.80 2ekj s SER 18 Cb -0.15 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 2ekj s SER 18 CO 0.01 0.01 0.03 -1.84 1.20 0.00 0.00 173.24 172.65 2ekj n GLU 19 N 4.52 2.59 -3.83 5.44 0.28 -1.26 -4.83 120.64 123.55 2ekj n GLU 19 Ca -0.14 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.73 2ekj n GLU 19 Cb 0.52 -1.10 -0.10 0.00 1.43 0.00 0.00 31.44 32.19 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2ekj s THR 20 N -2.14 0.06 -2.00 3.84 -1.32 -1.21 -4.96 115.64 107.90 2ekj s THR 20 Ca -0.02 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.08 2ekj s THR 20 Cb 0.02 -0.43 0.24 0.00 -1.51 0.00 0.00 72.50 70.81 2ekj s THR 20 CO 0.16 -0.25 0.95 -0.81 -2.21 0.00 0.00 174.62 172.46 2ekj n PRO 21 N 1.83 0.49 0.00 7.08 -0.04 -1.26 -1.71 135.00 141.39 2ekj n PRO 21 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2ekj n PRO 21 Cb 0.56 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2ekj n PRO 21 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ekj n ASP 22 N -0.77 0.64 -3.63 3.54 5.68 -1.25 -3.32 116.55 117.45 2ekj n ASP 22 Ca 0.06 -0.83 -0.15 0.00 -0.50 0.00 0.00 54.79 53.37 2ekj n ASP 22 Cb 0.03 0.32 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2ekj s SER 23 N -0.32 -0.44 -0.08 -1.12 0.01 -0.70 -0.75 113.70 110.30 2ekj s SER 23 Ca 0.00 0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 2ekj s SER 23 Cb 0.00 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.70 2ekj s SER 23 CO 0.00 -0.56 -0.02 -0.22 0.41 0.00 0.00 173.24 172.84 2ekj s LEU 24 N -1.37 0.84 0.24 2.44 2.96 -1.11 -3.35 118.68 119.34 2ekj s LEU 24 Ca -0.11 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 2ekj s LEU 24 Cb -0.02 -0.53 -0.09 0.00 0.50 0.00 0.00 46.19 46.05 2ekj s LEU 24 CO 0.06 -0.15 1.00 -1.58 -1.32 0.00 0.00 176.35 174.35 2ekj s GLN 25 N 1.74 4.77 -0.06 1.98 2.00 0.18 -2.52 119.66 127.74 2ekj s GLN 25 Ca 0.02 1.60 -0.03 0.00 -2.00 0.00 0.00 55.36 54.96 2ekj s GLN 25 Cb -0.13 -3.25 0.04 0.00 0.80 0.00 0.00 33.01 30.47 2ekj s GLN 25 CO -0.05 0.39 0.13 0.54 -0.50 0.00 0.00 175.29 175.80 2ekj s VAL 26 N -1.09 -0.14 0.34 1.34 0.11 -1.16 0.24 120.40 120.06 2ekj s VAL 26 Ca 0.43 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 2ekj s VAL 26 Cb -0.28 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.27 2ekj s VAL 26 CO 0.35 0.11 0.03 -0.94 -3.33 0.00 0.00 175.10 171.32 2ekj s SER 27 N 1.68 2.86 0.18 3.54 1.04 -1.03 -2.37 113.70 119.60 2ekj s SER 27 Ca -0.03 -1.34 -0.24 0.00 0.48 0.00 0.00 55.95 54.82 2ekj s SER 27 Cb -0.12 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.88 2ekj s SER 27 CO -0.05 -0.52 0.95 -1.66 0.98 0.00 0.00 173.24 172.94 2ekj s TRP 28 N -3.08 -0.08 -0.34 5.02 -2.14 -1.06 -2.41 118.94 114.85 2ekj s TRP 28 Ca 0.35 -0.27 -0.17 0.00 2.66 0.00 0.00 56.10 58.67 2ekj s TRP 28 Cb 0.08 0.67 -0.01 0.00 -3.10 0.00 0.00 33.47 31.11 2ekj s TRP 28 CO 0.16 -0.91 0.43 0.99 -2.66 0.00 0.00 176.95 174.96 2ekj s THR 29 N -3.06 5.10 0.14 0.66 2.01 -0.56 -4.84 115.64 115.09 2ekj s THR 29 Ca 0.14 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 2ekj s THR 29 Cb -0.02 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 2ekj s THR 29 CO 0.04 -0.14 1.34 -2.16 -0.69 0.00 0.00 174.62 173.01 2ekj s PRO 30 N 2.19 4.35 0.39 4.92 0.04 -1.26 -3.87 135.00 141.76 2ekj s PRO 30 Ca 0.15 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 2ekj s PRO 30 Cb -0.16 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.24 2ekj s PRO 30 CO 0.12 -0.36 0.34 -0.35 0.04 0.00 0.00 177.00 176.80 2ekj n PRO 31 N 3.51 -1.70 -0.11 0.56 -0.04 -1.26 -5.03 135.00 130.93 2ekj n PRO 31 Ca 0.09 -0.55 -0.22 0.00 -0.04 0.00 0.00 63.50 62.78 2ekj n PRO 31 Cb 0.43 -0.52 -0.12 0.00 -0.04 0.00 0.00 33.50 33.25 2ekj n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ekj n LEU 32 N 0.00 2.54 -4.58 1.53 0.00 -1.26 -4.97 117.00 110.25 2ekj n LEU 32 Ca 0.05 0.10 -0.46 0.00 0.00 0.00 0.00 56.01 55.70 2ekj n LEU 32 Cb 0.19 -0.92 -0.02 0.00 0.00 0.00 0.00 43.42 42.66 2ekj n LEU 32 CO 0.13 0.77 0.61 0.61 0.00 0.00 0.00 177.39 179.50 2ekj n GLY 33 N 1.86 -0.18 3.53 -3.96 0.00 -1.26 -4.73 105.19 100.45 2ekj n GLY 33 Ca -0.45 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2ekj n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ekj n ARG 34 N 1.08 0.86 -3.70 1.61 0.00 -1.26 -4.90 116.66 110.34 2ekj n ARG 34 Ca 0.11 0.07 -0.38 0.00 -0.00 0.00 0.00 57.85 57.65 2ekj n ARG 34 Cb 0.30 -2.85 -0.12 0.00 0.00 0.00 0.00 32.46 29.79 2ekj n ARG 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ekj s VAL 35 N 10.59 4.18 0.01 5.15 0.11 -1.26 -4.43 120.40 134.75 2ekj s VAL 35 Ca 1.09 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 2ekj s VAL 35 Cb -0.53 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2ekj s VAL 35 CO 0.35 -0.05 1.09 -0.07 -3.33 0.00 0.00 175.10 173.09 2ekj h LEU 36 N 8.30 -0.22 -8.37 2.54 3.38 -1.75 -3.41 115.31 115.77 2ekj h LEU 36 Ca -0.28 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 2ekj h LEU 36 Cb 1.12 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2ekj h LEU 36 CO 0.62 -0.10 -0.67 -1.38 0.09 0.00 0.00 178.44 177.00 2ekj s HIS 37 N -3.43 0.76 -0.69 1.13 -3.43 -1.26 -2.10 115.29 106.25 2ekj s HIS 37 Ca -0.03 -1.12 -0.09 0.00 -0.80 0.00 0.00 55.06 53.02 2ekj s HIS 37 Cb 0.01 -0.47 0.18 0.00 -1.43 0.00 0.00 32.58 30.87 2ekj s HIS 37 CO 0.09 -0.40 0.58 0.71 -2.00 0.00 0.00 174.74 173.72 2ekj s TYR 38 N -3.93 3.57 -0.35 0.38 2.02 -0.42 -1.37 117.35 117.25 2ekj s TYR 38 Ca 0.16 -2.23 -0.28 0.00 -0.37 0.00 0.00 57.07 54.34 2ekj s TYR 38 Cb 0.07 -3.54 -0.07 0.00 -0.40 0.00 0.00 41.96 38.03 2ekj s TYR 38 CO -0.03 -0.93 2.31 1.87 -1.57 0.00 0.00 175.55 177.19 2ekj n TRP 39 N 3.94 1.69 -3.77 2.71 -0.00 -0.59 -3.81 117.44 117.61 2ekj n TRP 39 Ca 0.08 0.02 -0.36 0.00 -0.00 0.00 0.00 57.50 57.24 2ekj n TRP 39 Cb 0.42 -2.66 -0.07 0.00 -0.00 0.00 0.00 31.31 28.99 2ekj n TRP 39 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 2ekj s LEU 40 N 9.64 4.25 -0.40 5.87 0.20 -0.98 -1.31 118.68 135.96 2ekj s LEU 40 Ca 1.02 0.29 0.01 0.00 0.69 0.00 0.00 54.13 56.15 2ekj s LEU 40 Cb -0.37 -2.08 0.13 0.00 -0.43 0.00 0.00 46.19 43.44 2ekj s LEU 40 CO 0.34 0.24 0.21 0.42 -0.29 0.00 0.00 176.35 177.27 2ekj s THR 41 N -0.01 1.10 0.06 3.68 -4.23 0.12 -0.53 115.64 115.82 2ekj s THR 41 Ca 0.10 -2.19 -0.17 0.00 -1.18 0.00 0.00 61.69 58.25 2ekj s THR 41 Cb -0.11 -1.79 -0.06 0.00 1.34 0.00 0.00 72.50 71.88 2ekj s THR 41 CO -0.00 -0.87 0.51 -0.72 -0.54 0.00 0.00 174.62 173.00 2ekj s TYR 42 N 0.72 3.75 0.10 3.99 -0.85 -0.84 -1.53 117.35 122.69 2ekj s TYR 42 Ca 0.16 1.14 -0.26 0.00 -0.52 0.00 0.00 57.07 57.58 2ekj s TYR 42 Cb -0.23 -2.40 0.08 0.00 0.38 0.00 0.00 41.96 39.79 2ekj s TYR 42 CO -0.04 0.59 1.02 0.00 -1.52 0.00 0.00 175.55 175.59 2ekj s ALA 43 N -1.16 -1.78 0.08 9.51 0.00 -1.11 -1.69 121.76 125.61 2ekj s ALA 43 Ca 0.28 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 2ekj s ALA 43 Cb -0.18 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 2ekj s ALA 43 CO 0.17 -1.01 1.39 -1.25 0.00 0.00 0.00 175.76 175.06 2ekj s PRO 44 N -3.10 4.31 0.00 0.00 0.04 -1.26 0.18 135.00 135.18 2ekj s PRO 44 Ca 0.12 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2ekj s PRO 44 Cb -0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2ekj s PRO 44 CO 0.00 -0.47 0.92 0.00 0.04 0.00 0.00 177.00 177.48 2ekj n ALA 45 N 4.41 -0.14 -0.12 8.56 0.00 -1.26 -2.50 120.51 129.45 2ekj n ALA 45 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2ekj n ALA 45 Cb 0.43 0.30 0.29 0.00 0.00 0.00 0.00 19.45 20.47 2ekj n ALA 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ekj n SER 46 N -2.35 3.68 -0.59 0.00 7.64 -1.26 -4.52 113.62 116.21 2ekj n SER 46 Ca 0.00 -2.14 0.47 0.00 1.01 0.00 0.00 58.87 58.21 2ekj n SER 46 Cb 0.00 -0.46 0.76 0.00 -1.01 0.00 0.00 64.21 63.50 2ekj n SER 46 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ekj h GLY 47 N 4.54 0.47 -6.75 0.23 0.00 -1.88 -3.44 103.07 96.25 2ekj h GLY 47 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 47.33 46.74 2ekj h GLY 47 CO 0.08 -0.15 -0.89 1.04 0.00 0.00 0.00 176.54 176.61 2ekj n LEU 48 N -4.23 -1.69 0.00 3.11 4.77 -1.26 -4.82 117.00 112.88 2ekj n LEU 48 Ca 0.41 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2ekj n LEU 48 Cb 1.78 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2ekj n LEU 48 CO 0.36 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2ekj n GLY 49 N -1.90 3.45 3.71 -0.72 0.00 -1.26 -5.17 105.19 103.31 2ekj n GLY 49 Ca -0.18 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2ekj n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ekj s PRO 50 N 4.32 1.17 0.22 1.61 0.04 -1.26 -5.08 135.00 136.02 2ekj s PRO 50 Ca 0.00 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2ekj s PRO 50 Cb 0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2ekj s PRO 50 CO 0.00 -2.30 0.10 -1.83 0.04 0.00 0.00 177.00 173.01 2ekj s GLU 51 N -4.94 1.29 0.18 4.56 1.03 -1.26 -4.67 118.70 114.89 2ekj s GLU 51 Ca 0.64 -1.68 0.03 0.00 0.03 0.00 0.00 54.97 53.99 2ekj s GLU 51 Cb -0.18 -0.05 -0.05 0.00 -0.80 0.00 0.00 34.13 33.05 2ekj s GLU 51 CO 0.57 -0.31 -0.04 0.15 -1.33 0.00 0.00 175.26 174.30 2ekj s LYS 52 N -4.07 1.16 0.01 -4.83 -0.14 -0.68 -5.04 119.74 106.15 2ekj s LYS 52 Ca 0.36 -1.55 -0.24 0.00 -1.36 0.00 0.00 55.97 53.18 2ekj s LYS 52 Cb 0.07 -0.50 0.05 0.00 -1.68 0.00 0.00 37.83 35.77 2ekj s LYS 52 CO 0.12 -0.05 0.55 -1.54 -0.76 0.00 0.00 175.35 173.67 2ekj s SER 53 N -3.21 -0.48 0.00 2.83 1.04 -1.26 -1.98 113.70 110.64 2ekj s SER 53 Ca 0.23 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 2ekj s SER 53 Cb 0.05 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2ekj s SER 53 CO 0.04 -0.65 0.07 0.68 0.98 0.00 0.00 173.24 174.36 2ekj s VAL 54 N -1.90 0.08 0.07 5.02 -7.23 0.31 -4.95 120.40 111.81 2ekj s VAL 54 Ca -0.08 -0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 2ekj s VAL 54 Cb -0.01 -0.33 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 2ekj s VAL 54 CO 0.03 -0.37 0.52 -0.94 -0.31 0.00 0.00 175.10 174.03 2ekj s SER 55 N -1.22 6.93 -0.05 4.85 1.04 -1.26 -2.31 113.70 121.67 2ekj s SER 55 Ca -0.13 1.13 -0.00 0.00 0.48 0.00 0.00 55.95 57.43 2ekj s SER 55 Cb -0.08 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.76 2ekj s SER 55 CO 0.00 0.24 -0.02 -0.69 0.98 0.00 0.00 173.24 173.76 2ekj s VAL 56 N -1.20 0.40 -0.11 5.02 1.01 -1.25 -4.98 120.40 119.29 2ekj s VAL 56 Ca 0.30 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2ekj s VAL 56 Cb -0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ekj s VAL 56 CO 0.18 0.23 1.53 -2.16 0.00 0.00 0.00 175.10 174.87 2ekj s PRO 57 N 1.39 4.15 0.33 2.72 0.04 -1.26 -1.30 135.00 141.07 2ekj s PRO 57 Ca -0.04 1.97 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2ekj s PRO 57 Cb -0.13 -3.93 1.16 0.00 0.04 0.00 0.00 34.50 31.64 2ekj s PRO 57 CO -0.03 -0.86 1.31 0.41 0.04 0.00 0.00 177.00 177.88 2ekj n GLY 58 N 4.04 -0.65 0.33 0.56 0.00 -0.89 0.23 105.19 108.80 2ekj n GLY 58 Ca 0.16 0.66 0.20 0.00 0.00 0.00 0.00 46.02 47.04 2ekj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekj n ALA 59 N -2.44 0.65 -2.83 4.61 0.00 -1.26 -4.37 120.51 114.88 2ekj n ALA 59 Ca 0.32 1.02 -0.25 0.00 0.00 0.00 0.00 53.44 54.53 2ekj n ALA 59 Cb 1.15 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 2ekj n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ekj s ARG 60 N -5.80 3.00 -0.30 0.00 1.70 0.14 -5.04 118.95 112.66 2ekj s ARG 60 Ca -0.11 -0.88 0.08 0.00 -0.47 0.00 0.00 55.73 54.34 2ekj s ARG 60 Cb 0.30 -2.68 0.46 0.00 -0.57 0.00 0.00 34.95 32.46 2ekj s ARG 60 CO 0.75 0.46 1.30 0.43 -1.08 0.00 0.00 175.30 177.16 2ekj n SER 61 N -0.65 3.92 -3.67 -2.89 7.64 -1.26 -4.75 113.62 111.95 2ekj n SER 61 Ca -0.08 -3.80 -0.06 0.00 1.01 0.00 0.00 58.87 55.94 2ekj n SER 61 Cb 0.56 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2ekj s HIS 62 N -3.47 -0.22 -0.16 1.43 -3.43 -1.26 -2.55 115.29 105.63 2ekj s HIS 62 Ca 0.48 -0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 54.39 2ekj s HIS 62 Cb 0.41 0.61 0.13 0.00 -1.43 0.00 0.00 32.58 32.30 2ekj s HIS 62 CO 0.00 -0.78 1.05 0.54 -2.00 0.00 0.00 174.74 173.55 2ekj s VAL 63 N -3.31 0.00 -0.14 -5.38 0.11 -1.00 -4.97 120.40 105.71 2ekj s VAL 63 Ca 0.09 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2ekj s VAL 63 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2ekj s VAL 63 CO -0.01 0.00 0.08 -0.89 -3.33 0.00 0.00 175.10 170.94 2ekj s THR 64 N -1.55 4.94 -0.65 5.04 2.01 -1.26 -2.96 115.64 121.22 2ekj s THR 64 Ca 0.02 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 2ekj s THR 64 Cb -0.01 -3.17 0.17 0.00 0.01 0.00 0.00 72.50 69.50 2ekj s THR 64 CO -0.02 0.54 0.56 -0.76 -0.69 0.00 0.00 174.62 174.25 2ekj s LEU 65 N -0.37 6.14 0.00 4.42 1.43 -1.05 -4.94 118.68 124.30 2ekj s LEU 65 Ca 0.10 -2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 50.67 2ekj s LEU 65 Cb -0.12 -2.11 0.29 0.00 0.03 0.00 0.00 46.19 44.29 2ekj s LEU 65 CO 0.02 -0.63 1.05 -0.81 0.23 0.00 0.00 176.35 176.20 2ekj n PRO 66 N 4.40 -3.06 -3.61 1.29 -0.04 -1.26 -2.74 135.00 129.98 2ekj n PRO 66 Ca 0.01 -1.67 -0.23 0.00 -0.04 0.00 0.00 63.50 61.57 2ekj n PRO 66 Cb 0.42 -1.57 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 2ekj n PRO 66 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ekj n ASP 67 N -4.80 -3.49 -4.63 3.54 9.92 0.07 -4.84 116.55 112.32 2ekj n ASP 67 Ca 0.15 -0.86 -0.24 0.00 -0.53 0.00 0.00 54.79 53.30 2ekj n ASP 67 Cb 0.56 -4.05 -0.08 0.00 -0.64 0.00 0.00 41.12 36.91 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ekj s LEU 68 N -6.37 3.03 0.00 0.64 1.43 -0.33 -4.98 118.68 112.11 2ekj s LEU 68 Ca 0.24 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2ekj s LEU 68 Cb -0.06 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.74 2ekj s LEU 68 CO 0.81 -0.14 0.48 0.00 0.23 0.00 0.00 176.35 177.73 2ekj n GLN 69 N -0.92 0.76 -4.48 1.70 6.02 -1.21 -3.75 117.38 115.50 2ekj n GLN 69 Ca -0.05 -1.87 -0.31 0.00 -0.01 0.00 0.00 57.00 54.76 2ekj n GLN 69 Cb 0.61 -0.14 -0.11 0.00 1.02 0.00 0.00 30.24 31.61 2ekj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ekj s ALA 70 N -2.42 2.76 -1.20 -1.58 0.00 -1.25 -4.54 121.76 113.54 2ekj s ALA 70 Ca 0.36 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2ekj s ALA 70 Cb -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2ekj s ALA 70 CO 0.23 0.60 0.96 0.00 0.00 0.00 0.00 175.76 177.55 2ekj n ALA 71 N 1.26 -2.07 -3.64 0.00 0.00 -1.26 -4.91 120.51 109.90 2ekj n ALA 71 Ca -0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.15 2ekj n ALA 71 Cb 0.52 -2.70 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 2ekj n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ekj s THR 72 N -3.39 -0.01 0.51 0.00 2.01 -1.26 -4.95 115.64 108.55 2ekj s THR 72 Ca 0.05 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 2ekj s THR 72 Cb -0.01 -0.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.55 2ekj s THR 72 CO 0.74 0.01 0.98 -0.54 -0.69 0.00 0.00 174.62 175.12 2ekj s LYS 73 N 1.42 3.96 -0.32 4.92 3.01 -1.26 -2.88 119.74 128.59 2ekj s LYS 73 Ca -0.09 0.98 -0.01 0.00 -1.01 0.00 0.00 55.97 55.84 2ekj s LYS 73 Cb -0.06 -2.14 0.11 0.00 -1.01 0.00 0.00 37.83 34.73 2ekj s LYS 73 CO -0.16 -0.26 0.13 0.71 0.51 0.00 0.00 175.35 176.28 2ekj s TYR 74 N -2.58 1.22 -0.74 3.18 1.51 -1.26 -4.19 117.35 114.50 2ekj s TYR 74 Ca 0.59 -1.53 -0.25 0.00 -1.01 0.00 0.00 57.07 54.88 2ekj s TYR 74 Cb -0.10 -1.41 -0.15 0.00 -0.11 0.00 0.00 41.96 40.18 2ekj s TYR 74 CO 0.30 -0.85 2.43 -2.13 -1.11 0.00 0.00 175.55 174.19 2ekj n ARG 75 N 4.78 0.57 -2.68 -0.62 0.63 0.48 -4.27 116.66 115.55 2ekj n ARG 75 Ca -0.01 -0.26 -0.43 0.00 -0.92 0.00 0.00 57.85 56.23 2ekj n ARG 75 Cb 0.41 -2.85 -0.02 0.00 0.45 0.00 0.00 32.46 30.45 2ekj n ARG 75 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ekj s VAL 76 N 10.80 4.64 -0.31 5.15 1.01 0.80 -2.73 120.40 139.75 2ekj s VAL 76 Ca 1.08 1.88 -0.00 0.00 0.00 0.00 0.00 61.98 64.94 2ekj s VAL 76 Cb -0.45 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 31.67 2ekj s VAL 76 CO 0.29 -0.27 0.01 -0.76 0.00 0.00 0.00 175.10 174.36 2ekj s LEU 77 N 3.32 4.04 0.03 3.92 1.02 -0.58 -1.29 118.68 129.14 2ekj s LEU 77 Ca 0.44 -1.47 0.02 0.00 0.02 0.00 0.00 54.13 53.13 2ekj s LEU 77 Cb -0.14 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 2ekj s LEU 77 CO 0.09 -0.29 0.02 -0.69 0.02 0.00 0.00 176.35 175.50 2ekj s VAL 78 N 1.17 4.21 -0.10 -1.59 1.01 -1.06 0.12 120.40 124.17 2ekj s VAL 78 Ca -0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2ekj s VAL 78 Cb -0.20 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.30 2ekj s VAL 78 CO -0.03 0.29 0.19 -0.44 0.00 0.00 0.00 175.10 175.11 2ekj s SER 79 N -1.83 0.58 -0.11 3.32 0.01 -0.43 -2.46 113.70 112.78 2ekj s SER 79 Ca 0.22 0.42 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 2ekj s SER 79 Cb -0.12 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 2ekj s SER 79 CO 0.14 -0.24 1.35 0.00 0.41 0.00 0.00 173.24 174.90 2ekj s ALA 80 N 2.29 3.63 0.15 1.44 0.00 -1.26 -1.54 121.76 126.47 2ekj s ALA 80 Ca 0.02 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 2ekj s ALA 80 Cb -0.12 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 2ekj s ALA 80 CO -0.07 -1.15 0.63 0.42 0.00 0.00 0.00 175.76 175.59 2ekj s ILE 81 N 3.36 4.69 0.09 0.00 -1.09 -0.47 -1.07 121.20 126.72 2ekj s ILE 81 Ca 0.60 1.15 0.02 0.00 -2.23 0.00 0.00 60.65 60.18 2ekj s ILE 81 Cb -0.25 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2ekj s ILE 81 CO 0.20 0.33 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.86 2ekj s TYR 82 N -1.37 0.85 0.26 3.97 2.02 0.53 -2.00 117.35 121.60 2ekj s TYR 82 Ca 0.37 -0.92 -0.07 0.00 -0.37 0.00 0.00 57.07 56.09 2ekj s TYR 82 Cb -0.17 -0.50 0.47 0.00 -0.40 0.00 0.00 41.96 41.35 2ekj s TYR 82 CO 0.20 -0.17 1.59 0.00 -1.57 0.00 0.00 175.55 175.61 2ekj h ALA 83 N 3.02 0.74 0.11 3.71 0.00 -1.99 -1.84 119.26 123.01 2ekj h ALA 83 Ca -0.35 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ekj h ALA 83 Cb 1.16 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2ekj h ALA 83 CO 0.64 -0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 2ekj h ALA 84 N 1.85 -0.15 -2.46 0.00 0.00 -1.96 -3.50 119.26 113.05 2ekj h ALA 84 Ca 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ekj h ALA 84 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ekj h ALA 84 CO -0.84 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 178.59 2ekj n GLY 85 N 0.82 2.11 3.30 0.00 0.00 -0.69 -5.17 105.19 105.56 2ekj n GLY 85 Ca -0.08 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 2ekj n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ekj s ARG 86 N -0.33 2.42 1.16 1.61 1.70 -1.26 0.20 118.95 124.45 2ekj s ARG 86 Ca 0.00 -0.89 -0.14 0.00 -0.47 0.00 0.00 55.73 54.23 2ekj s ARG 86 Cb 0.00 -2.15 0.27 0.00 -0.57 0.00 0.00 34.95 32.50 2ekj s ARG 86 CO 0.00 0.46 1.04 -1.54 -1.08 0.00 0.00 175.30 174.17 2ekj s SER 87 N -0.34 1.13 0.95 -2.89 1.04 -0.23 -4.95 113.70 108.40 2ekj s SER 87 Ca 0.02 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.60 2ekj s SER 87 Cb -0.12 -1.95 0.17 0.00 0.10 0.00 0.00 66.02 64.22 2ekj s SER 87 CO 0.02 -4.07 0.39 -1.84 0.98 0.00 0.00 173.24 168.72 2ekj n GLU 88 N -4.81 -1.41 -4.11 4.02 0.28 -1.26 -4.50 120.64 108.85 2ekj n GLU 88 Ca 0.05 -0.66 -0.33 0.00 -0.16 0.00 0.00 57.16 56.06 2ekj n GLU 88 Cb 0.56 -1.27 -0.16 0.00 1.43 0.00 0.00 31.44 32.00 2ekj n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ekj s ALA 89 N -2.05 2.36 -0.17 -1.84 0.00 -1.26 -4.48 121.76 114.33 2ekj s ALA 89 Ca 0.30 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 2ekj s ALA 89 Cb -0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2ekj s ALA 89 CO 0.25 -0.37 0.32 0.14 0.00 0.00 0.00 175.76 176.10 2ekj s VAL 90 N 1.30 5.28 0.46 0.00 -7.23 -1.03 -4.90 120.40 114.28 2ekj s VAL 90 Ca 0.05 0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.78 2ekj s VAL 90 Cb -0.13 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2ekj s VAL 90 CO -0.12 0.36 0.72 -0.94 -0.31 0.00 0.00 175.10 174.81 2ekj s SER 91 N 0.61 6.06 -0.29 4.85 1.04 -1.25 -2.55 113.70 122.16 2ekj s SER 91 Ca 0.17 0.63 -0.14 0.00 0.48 0.00 0.00 55.95 57.09 2ekj s SER 91 Cb -0.13 -1.94 0.12 0.00 0.10 0.00 0.00 66.02 64.17 2ekj s SER 91 CO 0.05 -0.62 0.78 0.00 0.98 0.00 0.00 173.24 174.43 2ekj s ALA 92 N -2.64 -2.12 -0.24 5.32 0.00 -0.41 -4.90 121.76 116.77 2ekj s ALA 92 Ca 0.47 2.31 -0.12 0.00 0.00 0.00 0.00 51.96 54.62 2ekj s ALA 92 Cb -0.10 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2ekj s ALA 92 CO 0.41 -0.61 0.23 0.95 0.00 0.00 0.00 175.76 176.75 2ekj s THR 93 N 2.04 5.30 -0.32 0.00 -4.23 -1.26 -0.14 115.64 117.03 2ekj s THR 93 Ca -0.08 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2ekj s THR 93 Cb -0.07 -3.57 0.11 0.00 1.34 0.00 0.00 72.50 70.31 2ekj s THR 93 CO -0.18 0.29 0.13 -0.83 -0.54 0.00 0.00 174.62 173.49 2ekj s GLY 94 N 1.22 0.90 0.26 3.99 0.00 -1.26 -4.89 107.32 107.54 2ekj s GLY 94 Ca 0.10 -1.56 -0.31 0.00 0.00 0.00 0.00 44.72 42.96 2ekj s GLY 94 CO 0.07 1.81 1.42 -0.18 0.00 0.00 0.00 173.10 176.22 2ekj n GLN 95 N 4.82 2.14 -1.50 2.90 7.27 -1.26 -4.01 117.38 127.73 2ekj n GLN 95 Ca -0.01 0.76 -0.26 0.00 0.07 0.00 0.00 57.00 57.55 2ekj n GLN 95 Cb 0.41 -2.43 0.19 0.00 2.41 0.00 0.00 30.24 30.83 2ekj n GLN 95 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2ekj n THR 96 N 1.79 0.00 -3.01 1.69 -2.24 -1.14 -4.62 114.28 106.74 2ekj n THR 96 Ca 0.10 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 2ekj n THR 96 Cb 0.33 -1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 2ekj n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ekj s ALA 97 N -3.73 3.51 0.97 6.98 0.00 -1.26 -4.27 121.76 123.96 2ekj s ALA 97 Ca 0.66 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2ekj s ALA 97 Cb -0.03 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 20.12 2ekj s ALA 97 CO 0.48 -0.55 0.74 0.00 0.00 0.00 0.00 175.76 176.43 2ekj n PRO 99 N -3.08 0.49 -0.29 0.00 -0.04 -1.26 -4.12 135.00 126.70 2ekj n PRO 99 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2ekj n PRO 99 Cb 0.54 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 2ekj n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ekj n SER 100 N -0.86 -0.59 0.00 3.54 2.88 -1.26 -4.76 113.62 112.56 2ekj n SER 100 Ca 0.08 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 2ekj n SER 100 Cb 0.04 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2ekj n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekj n GLY 101 N -1.28 2.25 0.00 0.46 0.00 -1.26 -4.98 105.19 100.38 2ekj n GLY 101 Ca 0.05 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.88 2ekj n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ekj n PRO 102 N -0.44 0.46 -2.98 1.61 -0.04 -1.26 -4.43 135.00 127.91 2ekj n PRO 102 Ca 0.00 0.02 -0.44 0.00 -0.04 0.00 0.00 63.50 63.03 2ekj n PRO 102 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2ekj n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ekj s SER 103 N -2.06 6.72 -1.15 3.54 0.15 -1.26 -4.95 113.70 114.69 2ekj s SER 103 Ca 0.22 -2.29 -0.14 0.00 0.70 0.00 0.00 55.95 54.45 2ekj s SER 103 Cb 0.11 -2.38 0.18 0.00 -1.71 0.00 0.00 66.02 62.22 2ekj s SER 103 CO 0.19 -0.95 1.34 -0.44 1.20 0.00 0.00 173.24 174.57 2ekj s SER 104 N 3.32 7.04 0.00 5.45 0.01 -1.26 -5.18 113.70 123.07 2ekj s SER 104 Ca 0.33 -2.94 0.00 0.00 1.31 0.00 0.00 55.95 54.65 2ekj s SER 104 Cb -0.05 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2ekj s SER 104 CO -0.08 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.45