#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj s SER 2 N 0.00 6.25 0.95 1.61 1.04 -1.26 -5.09 113.70 117.20 2ekj s SER 2 Ca 0.00 0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 2ekj s SER 2 Cb 0.00 -1.96 0.17 0.00 0.10 0.00 0.00 66.02 64.32 2ekj s SER 2 CO 0.00 0.33 1.13 -0.44 0.98 0.00 0.00 173.24 175.24 2ekj s SER 3 N -1.51 2.64 -0.32 7.02 0.01 -1.26 -4.43 113.70 115.85 2ekj s SER 3 Ca 0.21 2.10 -0.06 0.00 1.31 0.00 0.00 55.95 59.52 2ekj s SER 3 Cb -0.12 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2ekj s SER 3 CO 0.12 -3.26 0.18 0.61 0.41 0.00 0.00 173.24 171.29 2ekj n GLY 4 N 0.29 -3.00 3.11 3.44 0.00 -1.26 -4.95 105.19 102.82 2ekj n GLY 4 Ca 0.11 0.65 -0.37 0.00 0.00 0.00 0.00 46.02 46.41 2ekj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ekj s SER 5 N -1.82 5.78 -0.24 1.61 1.04 -1.26 -4.82 113.70 113.99 2ekj s SER 5 Ca 0.08 -3.42 -0.06 0.00 0.48 0.00 0.00 55.95 53.04 2ekj s SER 5 Cb -0.02 -1.90 -0.13 0.00 0.10 0.00 0.00 66.02 64.07 2ekj s SER 5 CO 0.71 -0.26 -0.27 -1.54 0.98 0.00 0.00 173.24 172.87 2ekj n SER 6 N 2.75 1.97 0.00 7.02 3.41 -1.26 -5.13 113.62 122.38 2ekj n SER 6 Ca 0.17 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2ekj n SER 6 Cb 0.38 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2ekj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekj n GLY 7 N 1.90 3.76 3.69 5.00 0.00 -1.26 -5.06 105.19 113.23 2ekj n GLY 7 Ca -0.45 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.37 4.32 -0.13 1.61 0.52 -1.26 -4.84 118.95 115.80 2ekj s ARG 8 Ca 0.00 1.87 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 2ekj s ARG 8 Cb 0.00 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.96 2ekj s ARG 8 CO 0.00 -0.49 -0.17 0.45 0.02 0.00 0.00 175.30 175.11 2ekj s SER 9 N 1.62 2.68 0.67 0.23 0.15 -1.26 -4.88 113.70 112.92 2ekj s SER 9 Ca 0.61 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.62 2ekj s SER 9 Cb -0.30 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.81 2ekj s SER 9 CO 0.26 0.01 1.11 -2.16 1.20 0.00 0.00 173.24 173.65 2ekj s PRO 10 N 1.11 2.75 0.04 5.44 0.04 -1.26 -4.69 135.00 138.43 2ekj s PRO 10 Ca -0.03 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 2ekj s PRO 10 Cb -0.14 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2ekj s PRO 10 CO -0.05 -1.29 1.42 -1.25 0.04 0.00 0.00 177.00 175.87 2ekj s PRO 11 N -4.18 4.29 0.52 0.56 0.04 -1.26 -4.90 135.00 130.07 2ekj s PRO 11 Ca 0.66 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.76 2ekj s PRO 11 Cb -0.20 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.87 2ekj s PRO 11 CO 0.43 -0.54 0.18 -1.12 0.04 0.00 0.00 177.00 175.99 2ekj s SER 12 N 1.69 4.36 -1.35 6.66 0.01 -1.25 -4.73 113.70 119.08 2ekj s SER 12 Ca 0.65 -1.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 2ekj s SER 12 Cb -0.34 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2ekj s SER 12 CO 0.28 -0.95 0.46 0.59 0.41 0.00 0.00 173.24 174.03 2ekj n ASN 13 N -1.48 -5.43 -4.70 2.44 3.02 -1.26 -0.83 115.26 107.02 2ekj n ASN 13 Ca -0.11 -0.22 -0.43 0.00 -0.03 0.00 0.00 54.58 53.80 2ekj n ASN 13 Cb 0.66 -4.29 -0.03 0.00 -0.61 0.00 0.00 39.78 35.51 2ekj n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ekj n LEU 14 N -3.35 3.95 -3.78 3.41 4.77 -1.26 -4.38 117.00 116.36 2ekj n LEU 14 Ca -0.11 1.03 -0.27 0.00 -0.03 0.00 0.00 56.01 56.63 2ekj n LEU 14 Cb 0.61 -1.55 -0.17 0.00 -2.33 0.00 0.00 43.42 39.98 2ekj n LEU 14 CO 0.38 0.15 -0.38 0.00 -1.33 0.00 0.00 177.39 176.21 2ekj s ALA 15 N 1.80 1.11 -0.36 -1.18 0.00 -0.72 -5.00 121.76 117.41 2ekj s ALA 15 Ca 0.78 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 2ekj s ALA 15 Cb -0.51 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 2ekj s ALA 15 CO 0.35 -1.02 0.47 -0.51 0.00 0.00 0.00 175.76 175.05 2ekj s LEU 16 N 1.80 4.44 -0.12 0.00 1.02 -1.26 -2.03 118.68 122.53 2ekj s LEU 16 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2ekj s LEU 16 Cb -0.16 -2.50 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 2ekj s LEU 16 CO -0.07 -0.46 -0.13 0.00 0.02 0.00 0.00 176.35 175.70 2ekj s ALA 17 N 2.28 2.62 -0.25 4.21 0.00 0.13 -4.90 121.76 125.85 2ekj s ALA 17 Ca 0.16 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 2ekj s ALA 17 Cb -0.16 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2ekj s ALA 17 CO 0.13 0.28 0.13 0.45 0.00 0.00 0.00 175.76 176.74 2ekj s SER 18 N 0.26 5.64 -0.01 0.00 0.15 -1.26 0.12 113.70 118.60 2ekj s SER 18 Ca -0.09 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2ekj s SER 18 Cb -0.15 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 2ekj s SER 18 CO 0.05 -0.01 0.05 -1.84 1.20 0.00 0.00 173.24 172.69 2ekj n GLU 19 N 4.76 0.58 -3.74 5.44 0.28 -1.26 -4.77 120.64 121.92 2ekj n GLU 19 Ca -0.15 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.70 2ekj n GLU 19 Cb 0.52 -1.06 -0.10 0.00 1.43 0.00 0.00 31.44 32.23 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 -2.15 0.02 -2.00 3.84 -1.32 -1.21 -5.00 115.64 107.82 2ekj s THR 20 Ca -0.01 -0.20 0.11 0.00 -1.21 0.00 0.00 61.69 60.39 2ekj s THR 20 Cb 0.01 -0.57 0.32 0.00 -1.51 0.00 0.00 72.50 70.75 2ekj s THR 20 CO 0.10 -0.11 1.11 -0.81 -2.21 0.00 0.00 174.62 172.70 2ekj n PRO 21 N 2.15 0.49 0.00 7.08 -0.04 -1.26 -1.72 135.00 141.70 2ekj n PRO 21 Ca -0.17 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 2ekj n PRO 21 Cb 0.57 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 2ekj n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ekj n ASP 22 N -0.86 0.94 -3.50 3.54 8.00 -1.26 -3.58 116.55 119.83 2ekj n ASP 22 Ca 0.09 -0.97 -0.16 0.00 0.71 0.00 0.00 54.79 54.45 2ekj n ASP 22 Cb 0.04 0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ekj s SER 23 N -0.48 -0.63 -0.06 -2.24 0.01 -0.70 -0.64 113.70 108.95 2ekj s SER 23 Ca 0.03 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.86 2ekj s SER 23 Cb 0.02 0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.82 2ekj s SER 23 CO 0.05 -0.68 -0.08 -0.22 0.41 0.00 0.00 173.24 172.72 2ekj s LEU 24 N -1.52 1.43 0.31 2.44 2.96 -1.14 -3.31 118.68 119.85 2ekj s LEU 24 Ca -0.08 -0.22 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 2ekj s LEU 24 Cb -0.00 -0.65 -0.10 0.00 0.50 0.00 0.00 46.19 45.94 2ekj s LEU 24 CO 0.05 -0.03 0.89 -1.58 -1.32 0.00 0.00 176.35 174.36 2ekj s GLN 25 N 0.91 4.45 -0.12 1.98 2.00 0.33 -2.69 119.66 126.53 2ekj s GLN 25 Ca -0.11 1.19 -0.07 0.00 -2.00 0.00 0.00 55.36 54.36 2ekj s GLN 25 Cb -0.15 -2.73 0.04 0.00 0.80 0.00 0.00 33.01 30.97 2ekj s GLN 25 CO 0.01 0.26 0.29 0.54 -0.50 0.00 0.00 175.29 175.89 2ekj s VAL 26 N -1.68 -0.02 0.25 1.34 0.11 -1.18 0.22 120.40 119.44 2ekj s VAL 26 Ca 0.50 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.65 2ekj s VAL 26 Cb -0.17 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 2ekj s VAL 26 CO 0.22 0.04 0.09 -0.94 -3.33 0.00 0.00 175.10 171.17 2ekj s SER 27 N 0.91 1.17 0.23 3.54 1.04 -0.86 -2.37 113.70 117.36 2ekj s SER 27 Ca -0.06 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 54.79 2ekj s SER 27 Cb -0.07 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.27 2ekj s SER 27 CO -0.06 -0.72 0.92 -1.66 0.98 0.00 0.00 173.24 172.70 2ekj s TRP 28 N -3.75 -0.01 -0.33 5.02 -2.14 -1.11 -1.76 118.94 114.85 2ekj s TRP 28 Ca 0.37 -0.42 -0.13 0.00 2.66 0.00 0.00 56.10 58.58 2ekj s TRP 28 Cb 0.08 0.71 -0.02 0.00 -3.10 0.00 0.00 33.47 31.14 2ekj s TRP 28 CO 0.13 -1.07 0.23 0.99 -2.66 0.00 0.00 176.95 174.58 2ekj s THR 29 N -2.77 5.26 0.30 0.66 2.01 -0.01 -4.84 115.64 116.25 2ekj s THR 29 Ca 0.16 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 2ekj s THR 29 Cb -0.03 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 2ekj s THR 29 CO 0.06 0.01 1.23 -2.16 -0.69 0.00 0.00 174.62 173.07 2ekj s PRO 30 N 1.72 4.46 0.00 4.92 0.04 -1.26 -3.82 135.00 141.05 2ekj s PRO 30 Ca 0.06 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2ekj s PRO 30 Cb -0.17 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2ekj s PRO 30 CO 0.10 -0.05 0.00 -0.35 0.04 0.00 0.00 177.00 176.74 2ekj n PRO 31 N 1.07 0.17 -0.10 0.56 -0.04 -1.26 -5.01 135.00 130.39 2ekj n PRO 31 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2ekj n PRO 31 Cb 0.43 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.74 2ekj n PRO 31 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ekj n LEU 32 N 0.00 0.23 -4.77 1.53 -0.00 -1.26 -4.99 117.00 107.75 2ekj n LEU 32 Ca 0.00 -0.01 -0.33 0.00 -0.00 0.00 0.00 56.01 55.67 2ekj n LEU 32 Cb 0.00 0.37 0.06 0.00 -0.00 0.00 0.00 43.42 43.85 2ekj n LEU 32 CO 0.00 0.51 0.73 -0.83 -0.00 0.00 0.00 177.39 177.80 2ekj s GLY 33 N -5.43 2.04 -0.21 1.47 0.00 -1.26 -4.93 107.32 99.00 2ekj s GLY 33 Ca -0.11 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 2ekj s GLY 33 CO 0.77 0.83 1.75 -1.60 0.00 0.00 0.00 173.10 174.85 2ekj s ARG 34 N -4.28 3.69 -0.42 2.90 6.06 -1.26 -4.96 118.95 120.68 2ekj s ARG 34 Ca 0.66 1.78 -0.09 0.00 -2.50 0.00 0.00 55.73 55.58 2ekj s ARG 34 Cb -0.20 -4.11 0.08 0.00 0.06 0.00 0.00 34.95 30.78 2ekj s ARG 34 CO 0.45 -1.43 0.25 0.08 -2.50 0.00 0.00 175.30 172.15 2ekj s VAL 35 N 5.72 4.13 0.08 7.11 1.01 -1.26 -4.60 120.40 132.59 2ekj s VAL 35 Ca 0.78 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 2ekj s VAL 35 Cb -0.27 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 2ekj s VAL 35 CO 0.32 -0.52 1.44 -0.07 0.00 0.00 0.00 175.10 176.27 2ekj h LEU 36 N 8.37 -1.27 -7.70 3.92 3.38 -1.88 -3.36 115.31 116.78 2ekj h LEU 36 Ca -0.22 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2ekj h LEU 36 Cb 1.08 0.47 -0.19 0.00 0.09 0.00 0.00 40.66 42.11 2ekj h LEU 36 CO 0.75 -0.44 -0.40 -1.38 0.09 0.00 0.00 178.44 177.06 2ekj s HIS 37 N -5.18 0.01 -0.69 1.13 -3.43 -1.26 -2.05 115.29 103.82 2ekj s HIS 37 Ca -0.13 -0.13 -0.15 0.00 -0.80 0.00 0.00 55.06 53.86 2ekj s HIS 37 Cb 0.05 -0.01 0.18 0.00 -1.43 0.00 0.00 32.58 31.36 2ekj s HIS 37 CO 0.48 -0.38 0.64 0.71 -2.00 0.00 0.00 174.74 174.19 2ekj s TYR 38 N -1.94 3.53 -0.33 0.38 2.02 0.63 -1.81 117.35 119.83 2ekj s TYR 38 Ca -0.10 -1.71 -0.28 0.00 -0.37 0.00 0.00 57.07 54.62 2ekj s TYR 38 Cb -0.04 -3.79 -0.06 0.00 -0.40 0.00 0.00 41.96 37.67 2ekj s TYR 38 CO -0.00 -1.00 2.30 1.87 -1.57 0.00 0.00 175.55 177.14 2ekj n TRP 39 N 4.53 1.74 -3.92 2.71 -0.00 -0.29 -3.53 117.44 118.69 2ekj n TRP 39 Ca 0.01 -0.01 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 2ekj n TRP 39 Cb 0.44 -2.68 -0.05 0.00 -0.00 0.00 0.00 31.31 29.02 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 9.61 4.34 -0.27 5.87 0.20 -1.07 -1.12 118.68 136.24 2ekj s LEU 40 Ca 1.01 0.33 -0.00 0.00 0.69 0.00 0.00 54.13 56.16 2ekj s LEU 40 Cb -0.33 -2.62 0.15 0.00 -0.43 0.00 0.00 46.19 42.97 2ekj s LEU 40 CO 0.33 0.26 0.42 0.42 -0.29 0.00 0.00 176.35 177.49 2ekj s THR 41 N -1.33 -0.66 0.45 3.68 -4.23 0.23 -1.68 115.64 112.10 2ekj s THR 41 Ca 0.28 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2ekj s THR 41 Cb -0.13 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.80 2ekj s THR 41 CO 0.19 -0.19 0.66 -0.72 -0.54 0.00 0.00 174.62 174.02 2ekj s TYR 42 N 2.58 3.09 0.08 3.99 1.13 -1.25 -0.10 117.35 126.86 2ekj s TYR 42 Ca 0.12 0.06 -0.27 0.00 -1.41 0.00 0.00 57.07 55.56 2ekj s TYR 42 Cb -0.14 -2.37 0.09 0.00 -1.10 0.00 0.00 41.96 38.43 2ekj s TYR 42 CO -0.23 -0.43 1.06 0.00 -2.51 0.00 0.00 175.55 173.43 2ekj s ALA 43 N -2.53 -1.85 -2.00 9.51 0.00 -0.64 -2.98 121.76 121.27 2ekj s ALA 43 Ca 0.50 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.97 2ekj s ALA 43 Cb -0.10 0.51 0.55 0.00 0.00 0.00 0.00 23.12 24.08 2ekj s ALA 43 CO 0.37 -1.00 0.99 -0.35 0.00 0.00 0.00 175.76 175.76 2ekj n PRO 44 N -0.45 0.49 -3.19 0.00 -0.04 -1.26 0.38 135.00 130.93 2ekj n PRO 44 Ca -0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 2ekj n PRO 44 Cb 0.61 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.83 2ekj n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ekj n ALA 45 N -0.80 -0.97 -3.62 0.55 0.00 -1.26 -4.72 120.51 109.69 2ekj n ALA 45 Ca 0.07 0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.75 2ekj n ALA 45 Cb 0.03 -4.14 -0.06 0.00 0.00 0.00 0.00 19.45 15.29 2ekj n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ekj s SER 46 N -3.04 -0.22 -1.23 0.00 0.15 -1.26 -4.97 113.70 103.13 2ekj s SER 46 Ca 0.39 0.32 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 2ekj s SER 46 Cb -0.17 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 2ekj s SER 46 CO 0.48 -0.15 1.96 0.61 1.20 0.00 0.00 173.24 177.34 2ekj n GLY 47 N 1.11 2.85 1.71 9.45 0.00 -1.26 -4.13 105.19 114.91 2ekj n GLY 47 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2ekj n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekj n LEU 48 N 8.63 0.05 -4.91 0.99 4.77 -1.26 -5.13 117.00 120.13 2ekj n LEU 48 Ca 0.49 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 2ekj n LEU 48 Cb 0.43 0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2ekj n LEU 48 CO 0.84 -0.46 0.08 -0.83 -1.33 0.00 0.00 177.39 175.69 2ekj s GLY 49 N -4.93 2.21 0.80 -0.72 0.00 -1.26 -5.12 107.32 98.30 2ekj s GLY 49 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 2ekj s GLY 49 CO 0.00 -1.84 1.09 2.56 0.00 0.00 0.00 173.10 174.91 2ekj s PRO 50 N -4.29 2.07 0.13 2.90 0.04 -1.26 -4.95 135.00 129.64 2ekj s PRO 50 Ca 0.42 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2ekj s PRO 50 Cb -0.03 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2ekj s PRO 50 CO 0.26 -1.76 0.16 -2.00 0.04 0.00 0.00 177.00 173.70 2ekj s GLU 51 N -4.91 3.07 0.49 4.56 2.12 -1.26 -4.78 118.70 118.00 2ekj s GLU 51 Ca 0.62 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2ekj s GLU 51 Cb -0.17 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.45 2ekj s GLU 51 CO 0.56 0.52 0.08 1.63 -0.54 0.00 0.00 175.26 177.52 2ekj n LYS 52 N -0.16 0.80 -3.64 4.30 4.76 -1.16 -5.07 118.16 118.00 2ekj n LYS 52 Ca -0.08 -3.48 -0.06 0.00 -2.87 0.00 0.00 58.31 51.82 2ekj n LYS 52 Cb 0.53 0.82 -0.07 0.00 -1.84 0.00 0.00 35.03 34.48 2ekj n LYS 52 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ekj s SER 53 N -3.75 -0.49 -0.04 4.39 1.04 -1.26 -3.84 113.70 109.74 2ekj s SER 53 Ca 0.06 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.37 2ekj s SER 53 Cb -0.01 1.04 0.01 0.00 0.10 0.00 0.00 66.02 67.17 2ekj s SER 53 CO 0.04 -0.14 -0.08 0.68 0.98 0.00 0.00 173.24 174.71 2ekj s VAL 54 N 0.83 0.78 0.11 5.02 -7.23 -0.68 -4.99 120.40 114.24 2ekj s VAL 54 Ca -0.03 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 2ekj s VAL 54 Cb -0.04 -0.72 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 2ekj s VAL 54 CO -0.11 0.26 1.02 -0.55 -0.31 0.00 0.00 175.10 175.41 2ekj s SER 55 N 0.42 7.39 -0.10 4.85 0.15 -1.26 -2.61 113.70 122.54 2ekj s SER 55 Ca -0.07 1.88 0.02 0.00 0.70 0.00 0.00 55.95 58.48 2ekj s SER 55 Cb -0.11 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 2ekj s SER 55 CO 0.01 -0.16 -0.14 -0.69 1.20 0.00 0.00 173.24 173.46 2ekj s VAL 56 N 0.13 1.37 0.01 4.45 1.01 -1.23 -4.99 120.40 121.15 2ekj s VAL 56 Ca 0.49 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 2ekj s VAL 56 Cb -0.25 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 2ekj s VAL 56 CO 0.31 0.41 1.44 -2.16 0.00 0.00 0.00 175.10 175.10 2ekj s PRO 57 N 0.92 4.27 0.41 2.72 0.04 -1.26 -0.27 135.00 141.83 2ekj s PRO 57 Ca -0.09 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.24 2ekj s PRO 57 Cb -0.15 -3.58 1.42 0.00 0.04 0.00 0.00 34.50 32.22 2ekj s PRO 57 CO -0.00 -0.60 1.59 0.78 0.04 0.00 0.00 177.00 178.81 2ekj h GLY 58 N 8.40 1.75 -0.79 0.56 0.00 -1.57 0.38 103.07 111.79 2ekj h GLY 58 Ca -0.38 -0.12 0.22 0.00 0.00 0.00 0.00 47.33 47.04 2ekj h GLY 58 CO 0.91 -0.60 0.02 0.00 0.00 0.00 0.00 176.54 176.87 2ekj n ALA 59 N -2.41 0.41 -2.75 3.60 0.00 -1.26 -4.27 120.51 113.82 2ekj n ALA 59 Ca 0.39 0.85 -0.29 0.00 0.00 0.00 0.00 53.44 54.39 2ekj n ALA 59 Cb 1.42 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 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 -5.72 2.75 -0.12 0.00 1.70 0.12 -5.02 118.95 112.66 2ekj s ARG 60 Ca -0.10 -0.82 0.15 0.00 -0.47 0.00 0.00 55.73 54.49 2ekj s ARG 60 Cb 0.23 -2.62 0.53 0.00 -0.57 0.00 0.00 34.95 32.52 2ekj s ARG 60 CO 0.62 0.52 1.44 0.45 -1.08 0.00 0.00 175.30 177.25 2ekj n SER 61 N 0.20 3.94 -3.77 -2.89 2.88 -1.26 -4.76 113.62 107.96 2ekj n SER 61 Ca -0.09 -2.64 -0.10 0.00 -1.33 0.00 0.00 58.87 54.72 2ekj n SER 61 Cb 0.53 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2ekj s HIS 62 N -2.16 0.01 0.00 0.66 0.00 -1.26 -2.74 115.29 109.80 2ekj s HIS 62 Ca 0.40 -0.36 -0.28 0.00 -3.00 0.00 0.00 55.06 51.82 2ekj s HIS 62 Cb 0.29 0.20 0.10 0.00 -4.00 0.00 0.00 32.58 29.17 2ekj s HIS 62 CO 0.14 -0.77 0.85 0.54 -1.00 0.00 0.00 174.74 174.50 2ekj s VAL 63 N -3.88 0.00 -0.02 -5.38 0.11 -1.00 -5.02 120.40 105.22 2ekj s VAL 63 Ca 0.09 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2ekj s VAL 63 Cb 0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2ekj s VAL 63 CO -0.06 0.00 0.12 -0.89 -3.33 0.00 0.00 175.10 170.95 2ekj s THR 64 N -2.95 5.04 -0.48 5.04 2.01 -1.26 -3.09 115.64 119.95 2ekj s THR 64 Ca 0.03 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2ekj s THR 64 Cb -0.01 -3.31 0.13 0.00 0.01 0.00 0.00 72.50 69.32 2ekj s THR 64 CO -0.08 0.37 0.25 -0.76 -0.69 0.00 0.00 174.62 173.72 2ekj s LEU 65 N -1.73 4.92 1.23 4.42 1.43 -1.10 -4.98 118.68 122.89 2ekj s LEU 65 Ca 0.24 -2.53 -0.20 0.00 -1.03 0.00 0.00 54.13 50.60 2ekj s LEU 65 Cb -0.12 -1.75 0.30 0.00 0.03 0.00 0.00 46.19 44.65 2ekj s LEU 65 CO 0.14 -0.39 1.11 -2.16 0.23 0.00 0.00 176.35 175.29 2ekj s PRO 66 N 0.40 -1.48 -1.19 1.29 0.04 -1.26 -2.89 135.00 129.92 2ekj s PRO 66 Ca 0.13 -0.16 -0.02 0.00 0.04 0.00 0.00 61.00 60.99 2ekj s PRO 66 Cb -0.22 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2ekj s PRO 66 CO -0.04 -3.86 0.93 -3.47 0.04 0.00 0.00 177.00 170.59 2ekj n ASP 67 N -4.85 -2.78 -4.92 6.66 2.03 0.18 -4.85 116.55 108.02 2ekj n ASP 67 Ca 0.15 -0.68 -0.25 0.00 0.52 0.00 0.00 54.79 54.53 2ekj n ASP 67 Cb 0.60 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ekj s LEU 68 N -6.25 2.83 0.00 -2.67 1.43 -0.31 -4.98 118.68 108.73 2ekj s LEU 68 Ca 0.09 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 2ekj s LEU 68 Cb -0.02 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2ekj s LEU 68 CO 0.75 -1.11 0.38 0.00 0.23 0.00 0.00 176.35 176.60 2ekj n GLN 69 N -1.83 0.87 -4.29 1.70 1.13 -1.24 -4.40 117.38 109.33 2ekj n GLN 69 Ca 0.02 -2.09 -0.33 0.00 -1.94 0.00 0.00 57.00 52.66 2ekj n GLN 69 Cb 0.64 0.05 -0.09 0.00 0.11 0.00 0.00 30.24 30.95 2ekj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ekj s ALA 70 N -2.47 3.30 -1.49 -1.58 0.00 -1.25 -4.41 121.76 113.86 2ekj s ALA 70 Ca 0.29 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2ekj s ALA 70 Cb -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2ekj s ALA 70 CO 0.18 0.64 0.17 0.00 0.00 0.00 0.00 175.76 176.75 2ekj n ALA 71 N 1.52 -2.01 -3.34 0.00 0.00 -1.07 -4.93 120.51 110.68 2ekj n ALA 71 Ca -0.15 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2ekj n ALA 71 Cb 0.53 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 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 -4.21 -0.60 1.08 0.00 2.01 -1.26 -4.84 115.64 107.81 2ekj s THR 72 Ca 0.00 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 2ekj s THR 72 Cb -0.00 -0.90 0.14 0.00 0.01 0.00 0.00 72.50 71.75 2ekj s THR 72 CO 0.95 -0.22 0.12 2.29 -0.69 0.00 0.00 174.62 177.08 2ekj n LYS 73 N 5.36 -2.03 -3.44 4.92 -0.00 -1.26 -3.79 118.16 117.91 2ekj n LYS 73 Ca -0.02 -0.59 -0.06 0.00 -0.00 0.00 0.00 58.31 57.64 2ekj n LYS 73 Cb 0.49 -1.56 -0.07 0.00 -0.00 0.00 0.00 35.03 33.89 2ekj n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2ekj s TYR 74 N -2.14 -0.98 -0.46 5.58 1.51 -1.22 -4.73 117.35 114.90 2ekj s TYR 74 Ca 0.46 1.33 -0.27 0.00 -1.01 0.00 0.00 57.07 57.58 2ekj s TYR 74 Cb -0.08 0.27 -0.05 0.00 -0.11 0.00 0.00 41.96 41.99 2ekj s TYR 74 CO 0.49 -0.66 2.18 0.50 -1.11 0.00 0.00 175.55 176.95 2ekj s ARG 75 N 2.65 2.52 -0.51 -0.62 3.52 0.16 -3.86 118.95 122.81 2ekj s ARG 75 Ca 0.08 1.31 -0.20 0.00 -0.13 0.00 0.00 55.73 56.78 2ekj s ARG 75 Cb -0.14 -4.46 0.05 0.00 -1.56 0.00 0.00 34.95 28.84 2ekj s ARG 75 CO -0.16 -2.81 0.70 0.08 -0.81 0.00 0.00 175.30 172.30 2ekj s VAL 76 N 10.25 4.76 -0.43 7.11 1.01 -0.48 -1.62 120.40 141.00 2ekj s VAL 76 Ca 0.88 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 2ekj s VAL 76 Cb -0.19 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 31.87 2ekj s VAL 76 CO 0.27 -0.87 0.40 -0.76 0.00 0.00 0.00 175.10 174.14 2ekj s LEU 77 N 2.94 5.02 -0.10 3.92 1.02 0.85 -3.14 118.68 129.18 2ekj s LEU 77 Ca 0.19 -0.82 -0.03 0.00 0.02 0.00 0.00 54.13 53.49 2ekj s LEU 77 Cb -0.17 -2.30 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 2ekj s LEU 77 CO 0.14 -0.56 0.01 -0.69 0.02 0.00 0.00 176.35 175.27 2ekj s VAL 78 N 1.97 4.41 -0.04 -1.59 1.01 -1.05 -0.60 120.40 124.51 2ekj s VAL 78 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2ekj s VAL 78 Cb -0.18 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ekj s VAL 78 CO 0.12 0.59 -0.04 -0.44 0.00 0.00 0.00 175.10 175.33 2ekj s SER 79 N -0.69 0.90 -0.21 3.32 0.01 -0.27 -2.49 113.70 114.27 2ekj s SER 79 Ca 0.11 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 2ekj s SER 79 Cb -0.12 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.70 2ekj s SER 79 CO 0.02 -0.06 1.03 0.00 0.41 0.00 0.00 173.24 174.64 2ekj s ALA 80 N 0.96 3.63 0.16 1.44 0.00 -1.26 -1.14 121.76 125.55 2ekj s ALA 80 Ca -0.10 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 2ekj s ALA 80 Cb -0.14 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 2ekj s ALA 80 CO -0.00 -0.96 0.54 0.42 0.00 0.00 0.00 175.76 175.75 2ekj s ILE 81 N 2.96 4.90 0.12 0.00 -1.09 -0.75 -0.43 121.20 126.91 2ekj s ILE 81 Ca 0.45 0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 2ekj s ILE 81 Cb -0.16 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2ekj s ILE 81 CO 0.08 0.17 0.04 -0.31 -1.23 0.00 0.00 174.94 173.69 2ekj s TYR 82 N -1.55 0.83 0.21 3.97 2.02 0.56 -2.70 117.35 120.68 2ekj s TYR 82 Ca 0.40 -1.20 -0.14 0.00 -0.37 0.00 0.00 57.07 55.76 2ekj s TYR 82 Cb -0.14 -0.48 0.22 0.00 -0.40 0.00 0.00 41.96 41.16 2ekj s TYR 82 CO 0.20 -0.48 1.63 0.00 -1.57 0.00 0.00 175.55 175.32 2ekj h ALA 83 N 2.90 0.38 0.12 3.71 0.00 -1.99 -2.59 119.26 121.79 2ekj h ALA 83 Ca -0.35 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ekj h ALA 83 Cb 1.19 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ekj h ALA 83 CO 0.60 -0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 2ekj h ALA 84 N 1.57 -0.17 -2.94 0.00 0.00 -1.98 -3.49 119.26 112.26 2ekj h ALA 84 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ekj h ALA 84 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ekj h ALA 84 CO -0.64 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 178.75 2ekj n GLY 85 N 0.58 2.51 3.27 0.00 0.00 -0.98 -5.17 105.19 105.41 2ekj n GLY 85 Ca -0.08 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 0.84 1.65 1.09 1.61 1.70 -1.26 0.21 118.95 124.79 2ekj s ARG 86 Ca 0.00 -0.93 -0.16 0.00 -0.47 0.00 0.00 55.73 54.17 2ekj s ARG 86 Cb 0.00 -1.72 0.23 0.00 -0.57 0.00 0.00 34.95 32.90 2ekj s ARG 86 CO 0.00 0.45 1.12 -1.54 -1.08 0.00 0.00 175.30 174.26 2ekj s SER 87 N -0.94 1.88 1.09 -2.89 1.04 0.43 -4.96 113.70 109.35 2ekj s SER 87 Ca 0.09 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.19 2ekj s SER 87 Cb -0.09 -1.21 0.22 0.00 0.10 0.00 0.00 66.02 65.04 2ekj s SER 87 CO 0.01 -3.55 0.49 -1.84 0.98 0.00 0.00 173.24 169.33 2ekj n GLU 88 N -4.40 -2.44 -5.20 4.02 0.28 -1.26 -4.46 120.64 107.17 2ekj n GLU 88 Ca 0.10 -0.82 -0.32 0.00 -0.16 0.00 0.00 57.16 55.96 2ekj n GLU 88 Cb 0.59 -1.31 -0.17 0.00 1.43 0.00 0.00 31.44 31.98 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 -2.06 2.19 -0.21 -1.84 0.00 -1.26 -4.39 121.76 114.20 2ekj s ALA 89 Ca 0.38 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 2ekj s ALA 89 Cb -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2ekj s ALA 89 CO 0.32 0.31 0.06 0.14 0.00 0.00 0.00 175.76 176.58 2ekj s VAL 90 N 0.27 4.51 0.41 0.00 -7.23 -1.04 -4.92 120.40 112.40 2ekj s VAL 90 Ca -0.17 -0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2ekj s VAL 90 Cb -0.17 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2ekj s VAL 90 CO 0.08 0.41 0.67 -0.94 -0.31 0.00 0.00 175.10 175.02 2ekj s SER 91 N 0.89 6.30 -0.30 4.85 1.04 -1.26 -2.54 113.70 122.68 2ekj s SER 91 Ca 0.03 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.08 2ekj s SER 91 Cb -0.14 -2.16 0.17 0.00 0.10 0.00 0.00 66.02 64.00 2ekj s SER 91 CO 0.02 -0.43 0.94 0.00 0.98 0.00 0.00 173.24 174.75 2ekj s ALA 92 N -2.51 -2.97 0.03 5.32 0.00 -1.19 -4.92 121.76 115.52 2ekj s ALA 92 Ca 0.44 1.72 -0.19 0.00 0.00 0.00 0.00 51.96 53.93 2ekj s ALA 92 Cb -0.10 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 2ekj s ALA 92 CO 0.40 -1.27 0.56 0.95 0.00 0.00 0.00 175.76 176.40 2ekj s THR 93 N 2.78 4.85 -0.26 0.00 -4.23 -1.26 -1.38 115.64 116.14 2ekj s THR 93 Ca 0.03 1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.69 2ekj s THR 93 Cb -0.10 -3.89 0.11 0.00 1.34 0.00 0.00 72.50 69.96 2ekj s THR 93 CO -0.15 0.49 0.20 -0.83 -0.54 0.00 0.00 174.62 173.79 2ekj s GLY 94 N -0.68 0.17 0.13 3.99 0.00 -1.25 -4.87 107.32 104.80 2ekj s GLY 94 Ca 0.29 -0.46 -0.35 0.00 0.00 0.00 0.00 44.72 44.20 2ekj s GLY 94 CO 0.17 2.23 1.44 -0.18 0.00 0.00 0.00 173.10 176.77 2ekj n GLN 95 N 5.29 1.62 -0.96 2.90 7.27 -1.26 -3.46 117.38 128.77 2ekj n GLN 95 Ca -0.05 0.58 -0.18 0.00 0.07 0.00 0.00 57.00 57.43 2ekj n GLN 95 Cb 0.46 -2.28 0.13 0.00 2.41 0.00 0.00 30.24 30.97 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 2.85 0.00 -2.81 1.69 -2.24 -1.25 -4.62 114.28 107.90 2ekj n THR 96 Ca 0.17 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 2ekj n THR 96 Cb 0.24 -1.50 -0.05 0.00 -2.10 0.00 0.00 70.33 66.92 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 -3.63 3.30 0.32 6.98 0.00 -1.26 -4.19 121.76 123.28 2ekj s ALA 97 Ca 0.45 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 2ekj s ALA 97 Cb -0.02 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2ekj s ALA 97 CO 0.32 0.04 0.74 0.00 0.00 0.00 0.00 175.76 176.86 2ekj s PRO 99 N -2.97 2.78 -0.25 0.00 0.04 -1.26 -4.81 135.00 128.54 2ekj s PRO 99 Ca 0.54 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 2ekj s PRO 99 Cb -0.10 -4.34 -0.16 0.00 0.04 0.00 0.00 34.50 29.94 2ekj s PRO 99 CO 0.17 -2.54 -0.14 0.45 0.04 0.00 0.00 177.00 174.98 2ekj n SER 100 N 12.18 1.96 0.00 6.66 2.88 -1.26 -5.12 113.62 130.93 2ekj n SER 100 Ca 0.21 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2ekj n SER 100 Cb 0.51 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.56 4.25 0.00 0.46 0.00 -1.26 -4.89 105.19 105.31 2ekj n GLY 101 Ca -0.46 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.94 0.49 -1.27 1.61 -0.04 -1.26 -4.85 135.00 127.73 2ekj n PRO 102 Ca 0.00 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.90 2ekj n PRO 102 Cb 0.00 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 2ekj n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ekj n SER 103 N -0.88 0.81 -4.44 3.54 2.88 -1.26 -4.86 113.62 109.42 2ekj n SER 103 Ca 0.09 0.76 -0.44 0.00 -1.33 0.00 0.00 58.87 57.96 2ekj n SER 103 Cb 0.04 -0.81 -0.09 0.00 -0.75 0.00 0.00 64.21 62.60 2ekj n SER 103 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ekj s SER 104 N 4.54 6.14 0.00 -3.46 0.15 -1.26 -5.21 113.70 114.60 2ekj s SER 104 Ca 1.04 -1.03 0.31 0.00 0.70 0.00 0.00 55.95 56.96 2ekj s SER 104 Cb -1.35 -2.18 1.68 0.00 -1.71 0.00 0.00 66.02 62.46 2ekj s SER 104 CO 0.64 -0.55 2.10 0.61 1.20 0.00 0.00 173.24 177.24