#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 7.40 0.12 1.61 0.01 -1.26 -5.06 113.70 116.52 2ekj s SER 2 Ca 0.00 1.96 0.08 0.00 1.31 0.00 0.00 55.95 59.30 2ekj s SER 2 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2ekj s SER 2 CO 0.00 -0.02 -0.12 -0.44 0.41 0.00 0.00 173.24 173.07 2ekj s SER 3 N -1.33 4.27 0.32 2.44 0.01 -1.26 -4.94 113.70 113.21 2ekj s SER 3 Ca 0.46 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2ekj s SER 3 Cb -0.24 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.23 2ekj s SER 3 CO 0.30 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2ekj n GLY 4 N 0.62 1.24 3.31 3.44 0.00 -1.26 -4.97 105.19 107.57 2ekj n GLY 4 Ca -0.14 -0.66 -0.59 0.00 0.00 0.00 0.00 46.02 44.64 2ekj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ekj n SER 5 N 3.65 0.71 -4.85 1.61 3.41 -1.26 -4.90 113.62 112.00 2ekj n SER 5 Ca 0.00 1.07 -0.35 0.00 -0.26 0.00 0.00 58.87 59.33 2ekj n SER 5 Cb 0.00 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.08 2ekj n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ekj s SER 6 N 1.77 6.80 0.02 4.04 0.15 -1.26 -4.99 113.70 120.22 2ekj s SER 6 Ca 0.91 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2ekj s SER 6 Cb -1.28 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 60.75 2ekj s SER 6 CO 0.66 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.80 2ekj n GLY 7 N 0.69 -0.15 3.81 9.45 0.00 -1.26 -5.10 105.19 112.64 2ekj n GLY 7 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.07 4.06 -0.12 1.61 0.52 -1.26 -4.84 118.95 117.85 2ekj s ARG 8 Ca 0.00 0.51 -0.00 0.00 -0.52 0.00 0.00 55.73 55.72 2ekj s ARG 8 Cb 0.00 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.24 2ekj s ARG 8 CO 0.00 0.60 -0.07 0.45 0.02 0.00 0.00 175.30 176.30 2ekj s SER 9 N -0.85 2.23 0.73 0.23 0.15 -1.26 -4.94 113.70 109.99 2ekj s SER 9 Ca 0.25 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 2ekj s SER 9 Cb -0.17 -0.85 0.04 0.00 -1.71 0.00 0.00 66.02 63.33 2ekj s SER 9 CO 0.15 -0.12 1.10 -2.16 1.20 0.00 0.00 173.24 173.40 2ekj s PRO 10 N 1.70 2.45 -0.01 5.44 0.04 -1.26 -4.65 135.00 138.71 2ekj s PRO 10 Ca 0.05 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 2ekj s PRO 10 Cb -0.13 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2ekj s PRO 10 CO -0.08 -1.50 1.46 -1.25 0.04 0.00 0.00 177.00 175.66 2ekj s PRO 11 N -4.60 4.25 0.52 0.56 0.04 -1.26 -4.87 135.00 129.64 2ekj s PRO 11 Ca 0.63 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.72 2ekj s PRO 11 Cb -0.18 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.71 2ekj s PRO 11 CO 0.51 -0.65 0.20 -1.12 0.04 0.00 0.00 177.00 175.98 2ekj s SER 12 N 2.18 4.39 -1.21 6.66 0.01 -1.25 -4.75 113.70 119.72 2ekj s SER 12 Ca 0.66 -1.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.43 2ekj s SER 12 Cb -0.32 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.34 2ekj s SER 12 CO 0.27 -0.96 0.74 0.59 0.41 0.00 0.00 173.24 174.29 2ekj n ASN 13 N -1.50 -5.51 -4.70 2.44 3.02 -1.26 -1.06 115.26 106.68 2ekj n ASN 13 Ca -0.10 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.69 2ekj n ASN 13 Cb 0.66 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.56 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 -5.93 4.38 -0.22 3.41 1.43 -1.26 -4.39 118.68 116.10 2ekj s LEU 14 Ca 0.37 2.70 -0.01 0.00 -1.03 0.00 0.00 54.13 56.16 2ekj s LEU 14 Cb -0.16 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.55 2ekj s LEU 14 CO 0.46 -0.96 0.01 0.00 0.23 0.00 0.00 176.35 176.09 2ekj s ALA 15 N 2.29 1.45 -0.34 4.21 0.00 -0.84 -5.01 121.76 123.52 2ekj s ALA 15 Ca 0.77 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 2ekj s ALA 15 Cb -0.45 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 2ekj s ALA 15 CO 0.34 -1.23 0.49 -0.51 0.00 0.00 0.00 175.76 174.85 2ekj s LEU 16 N 1.64 4.35 -0.14 0.00 1.02 -1.26 -2.40 118.68 121.89 2ekj s LEU 16 Ca -0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.09 2ekj s LEU 16 Cb -0.18 -2.55 -0.01 0.00 0.02 0.00 0.00 46.19 43.46 2ekj s LEU 16 CO -0.09 -0.45 -0.12 0.00 0.02 0.00 0.00 176.35 175.71 2ekj s ALA 17 N 2.34 2.65 -0.29 4.21 0.00 0.12 -4.92 121.76 125.87 2ekj s ALA 17 Ca 0.18 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2ekj s ALA 17 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2ekj s ALA 17 CO 0.13 0.14 0.16 0.45 0.00 0.00 0.00 175.76 176.63 2ekj s SER 18 N 0.53 5.67 -0.01 0.00 0.15 -1.26 0.54 113.70 119.32 2ekj s SER 18 Ca -0.08 -0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.37 2ekj s SER 18 Cb -0.16 -2.04 -0.09 0.00 -1.71 0.00 0.00 66.02 62.02 2ekj s SER 18 CO 0.04 -0.11 0.13 -1.84 1.20 0.00 0.00 173.24 172.65 2ekj n GLU 19 N 5.01 0.34 -3.64 5.44 0.28 -1.26 -4.77 120.64 122.03 2ekj n GLU 19 Ca -0.14 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.65 2ekj n GLU 19 Cb 0.51 -1.14 -0.08 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.41 0.01 -2.00 3.84 -1.32 -1.24 -5.00 115.64 107.52 2ekj s THR 20 Ca -0.02 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.42 2ekj s THR 20 Cb 0.04 -0.82 0.19 0.00 -1.51 0.00 0.00 72.50 70.39 2ekj s THR 20 CO 0.25 -0.06 0.85 -0.81 -2.21 0.00 0.00 174.62 172.64 2ekj n PRO 21 N 1.84 0.49 -0.00 7.08 -0.04 -1.26 -1.85 135.00 141.26 2ekj n PRO 21 Ca -0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 2ekj n PRO 21 Cb 0.56 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.71 1.80 -3.63 3.54 9.92 -1.25 -1.79 116.55 124.42 2ekj n ASP 22 Ca 0.05 -0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 53.92 2ekj n ASP 22 Cb 0.02 1.30 -0.05 0.00 -0.64 0.00 0.00 41.12 41.75 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2ekj s SER 23 N -2.75 -0.27 -0.08 -2.24 1.04 -0.77 0.13 113.70 108.75 2ekj s SER 23 Ca -0.01 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 2ekj s SER 23 Cb 0.07 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ekj s SER 23 CO 0.43 -0.79 -0.01 -0.22 0.98 0.00 0.00 173.24 173.63 2ekj s LEU 24 N -2.49 0.72 0.33 2.42 2.96 -1.06 -3.62 118.68 117.94 2ekj s LEU 24 Ca -0.00 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.48 2ekj s LEU 24 Cb 0.01 -0.52 -0.09 0.00 0.50 0.00 0.00 46.19 46.08 2ekj s LEU 24 CO -0.08 -0.18 1.15 -1.58 -1.32 0.00 0.00 176.35 174.34 2ekj s GLN 25 N 1.92 4.39 -0.14 1.98 2.00 0.19 -2.62 119.66 127.38 2ekj s GLN 25 Ca 0.05 1.86 -0.07 0.00 -2.00 0.00 0.00 55.36 55.20 2ekj s GLN 25 Cb -0.12 -2.97 0.06 0.00 0.80 0.00 0.00 33.01 30.77 2ekj s GLN 25 CO -0.06 -0.03 0.32 0.54 -0.50 0.00 0.00 175.29 175.56 2ekj s VAL 26 N -1.27 -0.11 0.30 1.34 0.11 -0.62 0.12 120.40 120.26 2ekj s VAL 26 Ca 0.50 0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2ekj s VAL 26 Cb -0.32 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 2ekj s VAL 26 CO 0.41 0.06 0.11 -0.44 -3.33 0.00 0.00 175.10 171.91 2ekj s SER 27 N 1.51 1.66 0.27 3.54 0.01 -1.01 -1.14 113.70 118.56 2ekj s SER 27 Ca -0.08 -1.46 -0.19 0.00 1.31 0.00 0.00 55.95 55.53 2ekj s SER 27 Cb -0.10 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.42 2ekj s SER 27 CO -0.10 -0.77 0.92 -1.66 0.41 0.00 0.00 173.24 172.03 2ekj s TRP 28 N -3.58 0.08 -0.31 2.43 -2.14 -0.41 -1.98 118.94 113.03 2ekj s TRP 28 Ca 0.35 -0.60 -0.10 0.00 2.66 0.00 0.00 56.10 58.42 2ekj s TRP 28 Cb 0.07 0.76 -0.01 0.00 -3.10 0.00 0.00 33.47 31.19 2ekj s TRP 28 CO 0.15 -1.21 0.15 0.99 -2.66 0.00 0.00 176.95 174.37 2ekj s THR 29 N -2.31 4.61 0.32 0.66 2.01 -0.22 -4.79 115.64 115.91 2ekj s THR 29 Ca 0.18 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 2ekj s THR 29 Cb -0.04 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 2ekj s THR 29 CO 0.08 0.06 1.22 -2.16 -0.69 0.00 0.00 174.62 173.13 2ekj s PRO 30 N 1.61 4.41 0.00 4.92 0.04 -1.26 -3.80 135.00 140.93 2ekj s PRO 30 Ca 0.05 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2ekj s PRO 30 Cb -0.17 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2ekj s PRO 30 CO 0.06 -0.07 0.00 -0.35 0.04 0.00 0.00 177.00 176.68 2ekj n PRO 31 N 0.84 0.12 -0.07 0.56 -0.04 -1.26 -5.01 135.00 130.13 2ekj n PRO 31 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2ekj n PRO 31 Cb 0.43 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 -4.77 1.53 -0.00 -1.26 -4.99 117.00 107.51 2ekj n LEU 32 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2ekj n LEU 32 Cb 0.00 0.33 -0.02 0.00 -0.00 0.00 0.00 43.42 43.74 2ekj n LEU 32 CO 0.00 0.33 0.83 -0.83 -0.00 0.00 0.00 177.39 177.72 2ekj s GLY 33 N -4.80 2.81 -0.14 1.47 0.00 -1.26 -4.91 107.32 100.48 2ekj s GLY 33 Ca -0.08 0.93 -0.32 0.00 0.00 0.00 0.00 44.72 45.26 2ekj s GLY 33 CO 0.66 1.41 2.05 -2.13 0.00 0.00 0.00 173.10 175.09 2ekj n ARG 34 N -0.25 2.08 -3.87 2.90 0.00 -1.26 -4.95 116.66 111.31 2ekj n ARG 34 Ca 0.06 0.69 -0.36 0.00 -0.00 0.00 0.00 57.85 58.25 2ekj n ARG 34 Cb 0.47 -2.86 -0.13 0.00 0.00 0.00 0.00 32.46 29.94 2ekj n ARG 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ekj s VAL 35 N 5.92 3.74 0.03 5.15 1.01 -1.26 -4.59 120.40 130.40 2ekj s VAL 35 Ca 0.97 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2ekj s VAL 35 Cb -0.56 -2.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.95 2ekj s VAL 35 CO 0.45 0.39 1.26 -0.07 0.00 0.00 0.00 175.10 177.13 2ekj h LEU 36 N 8.11 -0.84 -8.36 3.92 3.38 -1.88 -3.43 115.31 116.20 2ekj h LEU 36 Ca -0.40 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 2ekj h LEU 36 Cb 1.17 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 42.01 2ekj h LEU 36 CO 0.59 -0.53 -0.34 -1.38 0.09 0.00 0.00 178.44 176.87 2ekj s HIS 37 N -4.92 0.68 -0.39 1.13 -3.43 -1.26 -3.74 115.29 103.35 2ekj s HIS 37 Ca -0.14 -0.99 -0.01 0.00 -0.80 0.00 0.00 55.06 53.12 2ekj s HIS 37 Cb 0.01 -0.13 0.11 0.00 -1.43 0.00 0.00 32.58 31.14 2ekj s HIS 37 CO 0.43 -0.82 0.16 0.71 -2.00 0.00 0.00 174.74 173.22 2ekj s TYR 38 N -4.07 3.64 -0.57 0.38 2.02 -1.03 -1.90 117.35 115.82 2ekj s TYR 38 Ca 0.28 -2.61 -0.27 0.00 -0.37 0.00 0.00 57.07 54.11 2ekj s TYR 38 Cb 0.03 -3.14 -0.02 0.00 -0.40 0.00 0.00 41.96 38.43 2ekj s TYR 38 CO 0.09 -0.96 1.89 -0.46 -1.57 0.00 0.00 175.55 174.53 2ekj s TRP 39 N 1.04 1.65 -0.13 2.71 -0.00 -0.91 -3.45 118.94 119.84 2ekj s TRP 39 Ca 0.09 0.82 -0.10 0.00 -0.00 0.00 0.00 56.10 56.92 2ekj s TRP 39 Cb -0.22 -4.06 -0.05 0.00 -0.00 0.00 0.00 33.47 29.15 2ekj s TRP 39 CO -0.05 -2.39 0.20 -1.17 -0.00 0.00 0.00 176.95 173.53 2ekj s LEU 40 N 9.00 4.34 -0.23 5.86 0.20 -0.99 -2.28 118.68 134.59 2ekj s LEU 40 Ca 0.71 0.49 -0.04 0.00 0.69 0.00 0.00 54.13 55.98 2ekj s LEU 40 Cb -0.14 -2.19 0.08 0.00 -0.43 0.00 0.00 46.19 43.51 2ekj s LEU 40 CO 0.23 0.30 0.10 0.42 -0.29 0.00 0.00 176.35 177.11 2ekj s THR 41 N -0.52 0.03 0.11 3.68 -4.23 0.13 -0.71 115.64 114.11 2ekj s THR 41 Ca 0.15 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 2ekj s THR 41 Cb -0.13 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 2ekj s THR 41 CO 0.04 -0.46 0.27 -0.72 -0.54 0.00 0.00 174.62 173.21 2ekj s TYR 42 N 2.07 3.50 0.23 3.99 1.13 -0.82 -0.12 117.35 127.34 2ekj s TYR 42 Ca 0.05 0.30 -0.11 0.00 -1.41 0.00 0.00 57.07 55.89 2ekj s TYR 42 Cb -0.16 -1.80 -0.01 0.00 -1.10 0.00 0.00 41.96 38.89 2ekj s TYR 42 CO -0.20 0.52 0.42 0.00 -2.51 0.00 0.00 175.55 173.78 2ekj s ALA 43 N -1.62 -0.11 -2.00 9.51 0.00 -0.76 -1.02 121.76 125.76 2ekj s ALA 43 Ca 0.36 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.51 2ekj s ALA 43 Cb -0.12 1.06 0.64 0.00 0.00 0.00 0.00 23.12 24.70 2ekj s ALA 43 CO 0.28 -0.80 1.08 -0.35 0.00 0.00 0.00 175.76 175.96 2ekj n PRO 44 N -0.35 0.49 -2.88 0.00 -0.04 -1.26 -0.34 135.00 130.61 2ekj n PRO 44 Ca -0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 2ekj n PRO 44 Cb 0.62 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.85 -0.89 -3.37 0.55 0.00 -1.26 -4.67 120.51 110.02 2ekj n ALA 45 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.65 2ekj n ALA 45 Cb 0.04 -3.54 -0.09 0.00 0.00 0.00 0.00 19.45 15.85 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 -2.58 -0.48 -0.34 0.00 0.15 -1.26 -4.92 113.70 104.27 2ekj s SER 46 Ca 0.24 0.87 -0.07 0.00 0.70 0.00 0.00 55.95 57.69 2ekj s SER 46 Cb -0.11 0.89 -0.22 0.00 -1.71 0.00 0.00 66.02 64.88 2ekj s SER 46 CO 0.30 -0.22 3.34 0.61 1.20 0.00 0.00 173.24 178.47 2ekj n GLY 47 N 2.56 3.17 0.16 9.45 0.00 -1.26 -3.77 105.19 115.49 2ekj n GLY 47 Ca -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 2ekj n GLY 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ekj n LEU 48 N 2.77 2.54 -4.62 0.99 -0.00 -1.26 -5.09 117.00 112.32 2ekj n LEU 48 Ca 0.48 -0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.21 2ekj n LEU 48 Cb 0.73 -0.05 -0.09 0.00 -0.00 0.00 0.00 43.42 44.01 2ekj n LEU 48 CO 0.28 0.45 -0.26 -0.83 -0.00 0.00 0.00 177.39 177.03 2ekj s GLY 49 N -4.29 2.64 1.08 1.47 0.00 -1.25 -5.15 107.32 101.82 2ekj s GLY 49 Ca -0.02 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.16 2ekj s GLY 49 CO 0.03 -2.04 1.10 2.56 0.00 0.00 0.00 173.10 174.75 2ekj s PRO 50 N -3.80 -0.20 -0.14 2.90 0.04 -1.26 -4.91 135.00 127.63 2ekj s PRO 50 Ca 0.23 0.30 0.01 0.00 0.04 0.00 0.00 61.00 61.58 2ekj s PRO 50 Cb 0.06 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 2ekj s PRO 50 CO 0.12 -3.11 -0.17 -1.83 0.04 0.00 0.00 177.00 172.05 2ekj s GLU 51 N -5.11 3.19 0.77 4.56 -1.05 -1.26 -4.58 118.70 115.21 2ekj s GLU 51 Ca 0.67 -0.77 -0.12 0.00 -0.15 0.00 0.00 54.97 54.60 2ekj s GLU 51 Cb -0.16 -2.56 0.05 0.00 -0.44 0.00 0.00 34.13 31.03 2ekj s GLU 51 CO 0.57 0.07 1.13 0.15 0.95 0.00 0.00 175.26 178.13 2ekj s LYS 52 N 0.68 2.34 -0.02 -4.83 -0.14 -0.19 -4.93 119.74 112.65 2ekj s LYS 52 Ca -0.08 0.34 -0.08 0.00 -1.36 0.00 0.00 55.97 54.78 2ekj s LYS 52 Cb -0.16 -1.97 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 2ekj s LYS 52 CO 0.02 -1.37 0.18 -1.54 -0.76 0.00 0.00 175.35 171.87 2ekj s SER 53 N -4.38 -0.06 -0.01 2.83 1.04 -1.26 -1.94 113.70 109.93 2ekj s SER 53 Ca 0.60 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.96 2ekj s SER 53 Cb -0.12 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 2ekj s SER 53 CO 0.51 -0.32 0.09 0.68 0.98 0.00 0.00 173.24 175.19 2ekj s VAL 54 N -1.05 0.07 0.15 5.02 -7.23 0.11 -4.98 120.40 112.48 2ekj s VAL 54 Ca -0.11 -0.55 -0.09 0.00 -1.81 0.00 0.00 61.98 59.42 2ekj s VAL 54 Cb -0.06 -0.32 -0.06 0.00 0.56 0.00 0.00 36.38 36.50 2ekj s VAL 54 CO 0.02 -0.30 0.46 -0.55 -0.31 0.00 0.00 175.10 174.41 2ekj s SER 55 N -1.01 6.61 -0.00 4.85 0.15 -1.26 -2.33 113.70 120.71 2ekj s SER 55 Ca -0.11 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2ekj s SER 55 Cb -0.06 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2ekj s SER 55 CO 0.01 0.05 -0.00 -0.69 1.20 0.00 0.00 173.24 173.81 2ekj s VAL 56 N -1.61 0.05 -0.39 4.45 1.01 -1.22 -4.98 120.40 117.71 2ekj s VAL 56 Ca 0.40 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 2ekj s VAL 56 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2ekj s VAL 56 CO 0.21 0.03 1.72 -2.16 0.00 0.00 0.00 175.10 174.90 2ekj s PRO 57 N 0.13 3.28 0.46 2.72 0.04 -1.26 -2.46 135.00 137.91 2ekj s PRO 57 Ca -0.01 1.20 0.42 0.00 0.04 0.00 0.00 61.00 62.65 2ekj s PRO 57 Cb -0.02 -4.19 1.45 0.00 0.04 0.00 0.00 34.50 31.78 2ekj s PRO 57 CO -0.00 -1.92 1.31 0.41 0.04 0.00 0.00 177.00 176.84 2ekj n GLY 58 N 5.39 -0.83 0.28 0.56 0.00 -1.25 0.15 105.19 109.49 2ekj n GLY 58 Ca 0.21 0.59 0.06 0.00 0.00 0.00 0.00 46.02 46.87 2ekj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekj h ALA 59 N 0.87 0.81 -1.75 4.61 0.00 -1.87 -3.41 119.26 118.52 2ekj h ALA 59 Ca 0.79 0.24 -0.44 0.00 0.00 0.00 0.00 54.91 55.51 2ekj h ALA 59 Cb 3.14 0.42 0.01 0.00 0.00 0.00 0.00 17.79 21.36 2ekj h ALA 59 CO -0.03 -0.43 -0.33 -0.98 0.00 0.00 0.00 179.25 177.48 2ekj s ARG 60 N -6.11 3.06 -0.13 0.00 1.70 0.12 -5.04 118.95 112.55 2ekj s ARG 60 Ca -0.13 -1.06 0.15 0.00 -0.47 0.00 0.00 55.73 54.21 2ekj s ARG 60 Cb 0.23 -2.79 0.34 0.00 -0.57 0.00 0.00 34.95 32.15 2ekj s ARG 60 CO 0.75 0.02 1.17 -1.13 -1.08 0.00 0.00 175.30 175.03 2ekj n SER 61 N -1.66 1.63 -3.75 -2.89 3.41 -1.26 -4.81 113.62 104.28 2ekj n SER 61 Ca 0.01 -3.18 -0.14 0.00 -0.26 0.00 0.00 58.87 55.31 2ekj n SER 61 Cb 0.58 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2ekj s HIS 62 N -2.31 -0.20 0.32 7.33 0.00 -1.26 -1.29 115.29 117.87 2ekj s HIS 62 Ca 0.32 0.31 -0.17 0.00 -3.00 0.00 0.00 55.06 52.51 2ekj s HIS 62 Cb 0.31 0.11 0.03 0.00 -4.00 0.00 0.00 32.58 29.03 2ekj s HIS 62 CO -0.05 -0.40 0.72 0.54 -1.00 0.00 0.00 174.74 174.55 2ekj s VAL 63 N -1.31 0.00 -0.03 -5.38 0.11 -0.29 -5.00 120.40 108.50 2ekj s VAL 63 Ca -0.13 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 57.89 2ekj s VAL 63 Cb -0.05 -2.40 -0.00 0.00 -1.53 0.00 0.00 36.38 32.40 2ekj s VAL 63 CO 0.04 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.79 2ekj s THR 64 N -3.24 1.09 -0.63 5.04 2.01 -1.26 -1.59 115.64 117.06 2ekj s THR 64 Ca 0.15 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 2ekj s THR 64 Cb -0.05 -0.95 0.16 0.00 0.01 0.00 0.00 72.50 71.67 2ekj s THR 64 CO 0.10 0.32 0.53 -0.76 -0.69 0.00 0.00 174.62 174.12 2ekj s LEU 65 N 0.09 6.07 1.19 4.42 1.43 -1.08 -4.93 118.68 125.87 2ekj s LEU 65 Ca -0.03 -2.29 -0.19 0.00 -1.03 0.00 0.00 54.13 50.59 2ekj s LEU 65 Cb -0.10 -2.09 0.28 0.00 0.03 0.00 0.00 46.19 44.31 2ekj s LEU 65 CO 0.01 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 174.90 2ekj s PRO 66 N 0.79 -1.14 -1.05 1.29 0.04 -1.26 -2.58 135.00 131.09 2ekj s PRO 66 Ca 0.11 -0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.09 2ekj s PRO 66 Cb -0.21 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2ekj s PRO 66 CO -0.03 -3.67 0.90 -3.47 0.04 0.00 0.00 177.00 170.77 2ekj n ASP 67 N -4.73 -4.12 -4.82 6.66 2.03 0.34 -4.82 116.55 107.09 2ekj n ASP 67 Ca 0.13 -0.62 -0.28 0.00 0.52 0.00 0.00 54.79 54.54 2ekj n ASP 67 Cb 0.59 -4.86 -0.04 0.00 -0.72 0.00 0.00 41.12 36.09 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 -5.66 2.65 0.00 -2.67 1.43 0.23 -4.95 118.68 109.72 2ekj s LEU 68 Ca 0.21 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 2ekj s LEU 68 Cb -0.03 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.12 2ekj s LEU 68 CO 0.69 -0.91 0.17 0.00 0.23 0.00 0.00 176.35 176.53 2ekj n GLN 69 N -1.49 1.13 -4.89 1.70 1.13 -0.74 -3.94 117.38 110.27 2ekj n GLN 69 Ca -0.07 -1.78 -0.33 0.00 -1.94 0.00 0.00 57.00 52.88 2ekj n GLN 69 Cb 0.65 0.25 -0.14 0.00 0.11 0.00 0.00 30.24 31.10 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 -2.41 2.54 -0.50 -1.58 0.00 -1.25 -4.40 121.76 114.17 2ekj s ALA 70 Ca 0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2ekj s ALA 70 Cb -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2ekj s ALA 70 CO 0.08 0.34 0.42 0.00 0.00 0.00 0.00 175.76 176.61 2ekj n ALA 71 N 3.18 -0.65 -3.18 0.00 0.00 -1.02 -4.69 120.51 114.16 2ekj n ALA 71 Ca -0.18 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.35 2ekj n ALA 71 Cb 0.53 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.13 -0.93 1.36 0.00 2.01 -1.26 -4.93 115.64 108.75 2ekj s THR 72 Ca 0.11 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.88 2ekj s THR 72 Cb -0.05 -0.98 0.33 0.00 0.01 0.00 0.00 72.50 71.81 2ekj s THR 72 CO 0.28 -0.03 0.78 2.29 -0.69 0.00 0.00 174.62 177.25 2ekj n LYS 73 N 5.41 -4.11 -3.66 4.92 0.00 -1.26 -3.57 118.16 115.90 2ekj n LYS 73 Ca 0.00 -1.22 -0.06 0.00 -0.00 0.00 0.00 58.31 57.04 2ekj n LYS 73 Cb 0.52 -1.86 -0.08 0.00 -0.00 0.00 0.00 35.03 33.61 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 -0.96 -0.62 5.58 1.51 -1.17 -4.60 117.35 114.95 2ekj s TYR 74 Ca 0.61 1.77 -0.26 0.00 -1.01 0.00 0.00 57.07 58.18 2ekj s TYR 74 Cb -0.13 0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 42.16 2ekj s TYR 74 CO 0.53 -0.54 1.85 0.50 -1.11 0.00 0.00 175.55 176.79 2ekj s ARG 75 N 2.69 2.63 -0.38 -0.62 3.52 0.54 -3.35 118.95 123.98 2ekj s ARG 75 Ca -0.03 0.59 -0.23 0.00 -0.13 0.00 0.00 55.73 55.93 2ekj s ARG 75 Cb -0.12 -4.39 0.01 0.00 -1.56 0.00 0.00 34.95 28.89 2ekj s ARG 75 CO -0.15 -2.73 0.76 0.08 -0.81 0.00 0.00 175.30 172.45 2ekj s VAL 76 N 9.04 4.74 -0.29 7.11 1.01 0.19 -1.82 120.40 140.39 2ekj s VAL 76 Ca 0.67 0.74 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 2ekj s VAL 76 Cb -0.12 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2ekj s VAL 76 CO 0.20 -0.47 0.13 -0.76 0.00 0.00 0.00 175.10 174.20 2ekj s LEU 77 N 3.07 3.93 -0.09 3.92 1.02 0.83 -2.19 118.68 129.18 2ekj s LEU 77 Ca 0.30 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.07 2ekj s LEU 77 Cb -0.13 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 2ekj s LEU 77 CO 0.18 -0.14 -0.18 -0.69 0.02 0.00 0.00 176.35 175.53 2ekj s VAL 78 N 1.62 2.65 -0.05 -1.59 1.01 -0.97 0.17 120.40 123.24 2ekj s VAL 78 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2ekj s VAL 78 Cb -0.16 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2ekj s VAL 78 CO 0.06 0.56 0.01 -0.44 0.00 0.00 0.00 175.10 175.28 2ekj s SER 79 N -0.06 1.07 -0.02 3.32 0.01 -0.96 -2.22 113.70 114.83 2ekj s SER 79 Ca -0.04 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 2ekj s SER 79 Cb -0.14 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 2ekj s SER 79 CO 0.04 -0.16 1.15 0.00 0.41 0.00 0.00 173.24 174.69 2ekj s ALA 80 N 1.58 3.41 0.19 1.44 0.00 -1.26 -2.15 121.76 124.97 2ekj s ALA 80 Ca -0.02 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 2ekj s ALA 80 Cb -0.13 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2ekj s ALA 80 CO -0.03 -0.59 0.47 0.42 0.00 0.00 0.00 175.76 176.03 2ekj s ILE 81 N 1.71 5.03 0.08 0.00 1.09 -0.80 -0.68 121.20 127.65 2ekj s ILE 81 Ca 0.55 0.29 -0.04 0.00 -1.10 0.00 0.00 60.65 60.35 2ekj s ILE 81 Cb -0.25 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 2ekj s ILE 81 CO 0.24 -0.01 0.08 -0.31 -0.10 0.00 0.00 174.94 174.84 2ekj s TYR 82 N -1.73 0.44 0.23 3.97 2.02 -1.08 -2.78 117.35 118.42 2ekj s TYR 82 Ca 0.44 -0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 2ekj s TYR 82 Cb -0.12 -0.27 0.34 0.00 -0.40 0.00 0.00 41.96 41.52 2ekj s TYR 82 CO 0.22 -0.48 1.63 0.00 -1.57 0.00 0.00 175.55 175.35 2ekj h ALA 83 N 2.93 0.60 0.22 3.71 0.00 -2.00 -2.44 119.26 122.27 2ekj h ALA 83 Ca -0.34 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ekj h ALA 83 Cb 1.18 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2ekj h ALA 83 CO 0.60 -0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.33 2ekj h ALA 84 N 1.69 -0.29 -1.76 0.00 0.00 -1.97 -3.49 119.26 113.44 2ekj h ALA 84 Ca 0.36 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.32 2ekj h ALA 84 Cb 0.60 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 2ekj h ALA 84 CO -0.69 -0.36 0.70 0.20 0.00 0.00 0.00 179.25 179.10 2ekj s GLY 85 N -3.15 -0.35 0.23 0.00 0.00 -0.92 -5.16 107.32 97.97 2ekj s GLY 85 Ca -0.12 0.84 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 2ekj s GLY 85 CO 0.45 0.23 0.72 1.09 0.00 0.00 0.00 173.10 175.58 2ekj s ARG 86 N -2.71 4.22 0.99 2.90 1.70 -1.26 -2.62 118.95 122.16 2ekj s ARG 86 Ca 0.11 0.84 -0.15 0.00 -0.47 0.00 0.00 55.73 56.05 2ekj s ARG 86 Cb 0.01 -2.84 0.19 0.00 -0.57 0.00 0.00 34.95 31.75 2ekj s ARG 86 CO -0.03 0.37 1.22 -1.54 -1.08 0.00 0.00 175.30 174.24 2ekj s SER 87 N -1.72 2.88 1.11 -2.89 1.04 0.15 -4.96 113.70 109.32 2ekj s SER 87 Ca 0.44 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 57.25 2ekj s SER 87 Cb -0.16 -0.79 0.19 0.00 0.10 0.00 0.00 66.02 65.36 2ekj s SER 87 CO 0.21 -2.90 0.34 -1.84 0.98 0.00 0.00 173.24 170.02 2ekj n GLU 88 N -3.93 -2.52 -4.76 4.02 0.28 -1.26 -4.55 120.64 107.92 2ekj n GLU 88 Ca 0.12 -0.74 -0.33 0.00 -0.16 0.00 0.00 57.16 56.05 2ekj n GLU 88 Cb 0.60 -1.61 -0.14 0.00 1.43 0.00 0.00 31.44 31.71 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 -2.13 2.67 -0.25 -1.84 0.00 -1.26 -4.48 121.76 114.47 2ekj s ALA 89 Ca 0.47 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 2ekj s ALA 89 Cb -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2ekj s ALA 89 CO 0.46 0.30 0.11 0.14 0.00 0.00 0.00 175.76 176.77 2ekj s VAL 90 N 0.17 4.65 0.34 0.00 -7.23 -0.94 -4.91 120.40 112.48 2ekj s VAL 90 Ca -0.07 -0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.96 2ekj s VAL 90 Cb -0.15 -3.18 -0.06 0.00 0.56 0.00 0.00 36.38 33.55 2ekj s VAL 90 CO 0.05 0.32 0.66 -0.94 -0.31 0.00 0.00 175.10 174.88 2ekj s SER 91 N 1.57 6.50 -0.30 4.85 1.04 -1.26 -2.30 113.70 123.80 2ekj s SER 91 Ca 0.06 0.95 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 2ekj s SER 91 Cb -0.15 -2.24 0.15 0.00 0.10 0.00 0.00 66.02 63.88 2ekj s SER 91 CO 0.06 -0.29 0.67 0.00 0.98 0.00 0.00 173.24 174.65 2ekj s ALA 92 N -2.21 -2.19 -0.18 5.32 0.00 -0.93 -4.92 121.76 116.66 2ekj s ALA 92 Ca 0.48 2.16 -0.19 0.00 0.00 0.00 0.00 51.96 54.41 2ekj s ALA 92 Cb -0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 2ekj s ALA 92 CO 0.30 -1.06 0.54 0.95 0.00 0.00 0.00 175.76 176.48 2ekj s THR 93 N 2.86 5.10 -0.24 0.00 -4.23 -1.26 -0.63 115.64 117.24 2ekj s THR 93 Ca 0.02 1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 61.55 2ekj s THR 93 Cb -0.12 -3.87 0.07 0.00 1.34 0.00 0.00 72.50 69.92 2ekj s THR 93 CO -0.19 0.20 0.03 -0.83 -0.54 0.00 0.00 174.62 173.28 2ekj s GLY 94 N 1.03 1.02 0.08 3.99 0.00 -1.21 -4.88 107.32 107.34 2ekj s GLY 94 Ca 0.26 -1.21 -0.33 0.00 0.00 0.00 0.00 44.72 43.43 2ekj s GLY 94 CO 0.10 1.31 1.72 -0.18 0.00 0.00 0.00 173.10 176.05 2ekj n GLN 95 N 4.86 2.28 -1.23 2.90 7.27 -1.26 -3.05 117.38 129.14 2ekj n GLN 95 Ca -0.08 0.83 -0.30 0.00 0.07 0.00 0.00 57.00 57.52 2ekj n GLN 95 Cb 0.45 -2.64 0.24 0.00 2.41 0.00 0.00 30.24 30.70 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 4.17 0.00 -2.76 1.69 -2.24 -1.23 -4.63 114.28 109.28 2ekj n THR 96 Ca 0.19 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 2ekj n THR 96 Cb 0.30 -1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 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 -3.22 3.29 0.58 6.98 0.00 -1.26 -4.21 121.76 123.92 2ekj s ALA 97 Ca 0.72 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 2ekj s ALA 97 Cb -0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2ekj s ALA 97 CO 0.54 0.07 1.17 0.00 0.00 0.00 0.00 175.76 177.55 2ekj n PRO 99 N -1.55 0.14 -3.11 0.00 -0.04 -1.26 -3.50 135.00 125.68 2ekj n PRO 99 Ca 0.13 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.52 2ekj n PRO 99 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.36 3.20 -4.55 3.54 2.88 -1.26 -5.10 113.62 110.98 2ekj n SER 100 Ca 0.06 -3.41 -0.43 0.00 -1.33 0.00 0.00 58.87 53.75 2ekj n SER 100 Cb 0.13 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 0.22 -0.65 3.55 0.46 0.00 -1.23 -4.82 105.19 102.73 2ekj n GLY 101 Ca 0.29 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 2ekj n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ekj s PRO 102 N -1.65 2.70 0.01 1.61 0.04 -1.26 -4.96 135.00 131.49 2ekj s PRO 102 Ca 0.61 0.68 0.01 0.00 0.04 0.00 0.00 61.00 62.35 2ekj s PRO 102 Cb -0.65 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 29.51 2ekj s PRO 102 CO 0.58 -2.65 -0.04 0.45 0.04 0.00 0.00 177.00 175.38 2ekj s SER 103 N 7.89 0.45 0.31 6.66 0.15 -1.26 -5.16 113.70 122.73 2ekj s SER 103 Ca 0.68 -0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.16 2ekj s SER 103 Cb -0.13 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 2ekj s SER 103 CO 0.22 -0.10 -0.10 -0.44 1.20 0.00 0.00 173.24 174.02 2ekj s SER 104 N -0.76 3.88 0.00 5.45 0.01 -1.26 -5.26 113.70 115.76 2ekj s SER 104 Ca -0.05 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2ekj s SER 104 Cb -0.05 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2ekj s SER 104 CO -0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17