#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj h SER 2 N 0.00 -0.59 -3.64 1.61 0.87 -2.06 -3.39 113.55 106.34 2ekj h SER 2 Ca 0.00 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.87 2ekj h SER 2 Cb 0.00 0.15 -0.32 0.00 -0.44 0.00 0.00 62.40 61.80 2ekj h SER 2 CO 0.00 -0.39 -0.61 -0.55 -0.53 0.00 0.00 176.83 174.75 2ekj s SER 3 N -4.61 5.18 0.00 6.23 0.15 -1.26 -5.02 113.70 114.38 2ekj s SER 3 Ca -0.16 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.05 2ekj s SER 3 Cb 0.04 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2ekj s SER 3 CO 0.62 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2ekj n GLY 4 N 4.70 4.02 3.30 9.45 0.00 -1.26 -5.16 105.19 120.23 2ekj n GLY 4 Ca -0.10 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 -0.27 -0.25 1.61 1.04 -1.26 -4.63 113.70 109.94 2ekj s SER 5 Ca 0.00 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.40 2ekj s SER 5 Cb 0.00 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 66.36 2ekj s SER 5 CO 0.00 -0.53 -0.19 -0.24 0.98 0.00 0.00 173.24 173.26 2ekj n SER 6 N 1.01 1.92 0.00 7.02 2.88 -1.26 -5.12 113.62 120.08 2ekj n SER 6 Ca -0.20 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2ekj n SER 6 Cb 0.57 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2ekj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekj n GLY 7 N 1.34 4.37 3.05 0.46 0.00 -1.26 -5.15 105.19 108.00 2ekj n GLY 7 Ca -0.43 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.65 0.20 -0.13 1.61 0.52 -1.26 -5.00 118.95 110.24 2ekj s ARG 8 Ca 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 2ekj s ARG 8 Cb 0.00 0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.53 2ekj s ARG 8 CO 0.00 -0.06 -0.12 0.45 0.02 0.00 0.00 175.30 175.59 2ekj s SER 9 N 0.40 2.44 0.75 0.23 0.15 -1.26 -4.94 113.70 111.47 2ekj s SER 9 Ca -0.02 -0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 2ekj s SER 9 Cb -0.04 -1.03 0.05 0.00 -1.71 0.00 0.00 66.02 63.29 2ekj s SER 9 CO -0.02 -0.07 1.10 -2.16 1.20 0.00 0.00 173.24 173.29 2ekj s PRO 10 N 1.49 2.35 -0.06 5.44 0.04 -1.26 -4.67 135.00 138.33 2ekj s PRO 10 Ca 0.03 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 2ekj s PRO 10 Cb -0.13 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2ekj s PRO 10 CO -0.08 -1.58 1.50 -1.25 0.04 0.00 0.00 177.00 175.63 2ekj s PRO 11 N -4.74 4.22 0.52 0.56 0.04 -1.26 -4.81 135.00 129.52 2ekj s PRO 11 Ca 0.62 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.71 2ekj s PRO 11 Cb -0.18 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.57 2ekj s PRO 11 CO 0.53 -0.74 0.20 -1.12 0.04 0.00 0.00 177.00 175.92 2ekj s SER 12 N 2.59 4.38 -1.22 6.66 0.01 -1.23 -4.75 113.70 120.14 2ekj s SER 12 Ca 0.67 -1.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.42 2ekj s SER 12 Cb -0.30 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.36 2ekj s SER 12 CO 0.25 -0.96 0.95 0.59 0.41 0.00 0.00 173.24 174.49 2ekj n ASN 13 N -1.50 -5.82 -4.66 2.44 3.02 -1.26 -0.20 115.26 107.27 2ekj n ASN 13 Ca -0.10 -0.43 -0.42 0.00 -0.03 0.00 0.00 54.58 53.59 2ekj n ASN 13 Cb 0.66 -4.47 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 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 -6.43 4.32 -0.32 3.41 1.43 -1.26 -4.32 118.68 115.51 2ekj s LEU 14 Ca 0.47 2.24 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 2ekj s LEU 14 Cb -0.21 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.57 2ekj s LEU 14 CO 0.58 -0.91 0.07 0.00 0.23 0.00 0.00 176.35 176.32 2ekj s ALA 15 N 3.89 2.28 -0.36 4.21 0.00 -0.11 -5.00 121.76 126.67 2ekj s ALA 15 Ca 0.73 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2ekj s ALA 15 Cb -0.34 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.00 2ekj s ALA 15 CO 0.29 -1.66 1.12 -0.51 0.00 0.00 0.00 175.76 175.00 2ekj s LEU 16 N 1.23 3.85 -0.20 0.00 1.02 -1.26 -2.68 118.68 120.64 2ekj s LEU 16 Ca 0.10 0.92 -0.02 0.00 0.02 0.00 0.00 54.13 55.14 2ekj s LEU 16 Cb -0.18 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.48 2ekj s LEU 16 CO -0.15 -1.00 -0.09 0.00 0.02 0.00 0.00 176.35 175.13 2ekj s ALA 17 N 3.94 2.68 -0.30 4.21 0.00 0.15 -4.93 121.76 127.51 2ekj s ALA 17 Ca 0.47 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 2ekj s ALA 17 Cb -0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2ekj s ALA 17 CO 0.20 -0.30 0.37 0.45 0.00 0.00 0.00 175.76 176.49 2ekj s SER 18 N 1.25 6.22 -0.12 0.00 0.15 -1.26 -0.03 113.70 119.90 2ekj s SER 18 Ca 0.03 0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.84 2ekj s SER 18 Cb -0.14 -2.21 -0.13 0.00 -1.71 0.00 0.00 66.02 61.83 2ekj s SER 18 CO -0.04 -0.26 0.00 -0.62 1.20 0.00 0.00 173.24 173.53 2ekj n GLU 19 N 5.37 1.69 -3.94 5.44 -0.58 -1.26 -4.77 120.64 122.60 2ekj n GLU 19 Ca -0.09 0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.57 2ekj n GLU 19 Cb 0.50 -1.30 -0.12 0.00 -0.57 0.00 0.00 31.44 29.95 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2ekj s THR 20 N -2.29 0.07 -2.00 2.62 -1.32 -1.20 -5.00 115.64 106.53 2ekj s THR 20 Ca -0.09 -0.58 0.12 0.00 -1.21 0.00 0.00 61.69 59.93 2ekj s THR 20 Cb 0.04 -0.19 0.35 0.00 -1.51 0.00 0.00 72.50 71.19 2ekj s THR 20 CO 0.45 -0.32 1.16 -0.81 -2.21 0.00 0.00 174.62 172.89 2ekj n PRO 21 N 2.10 0.49 -0.00 7.08 -0.04 -1.26 -1.72 135.00 141.65 2ekj n PRO 21 Ca -0.20 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.27 2ekj n PRO 21 Cb 0.57 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.89 1.19 -3.57 3.54 8.00 -1.25 -3.29 116.55 120.28 2ekj n ASP 22 Ca 0.09 -1.11 -0.16 0.00 0.71 0.00 0.00 54.79 54.33 2ekj n ASP 22 Cb 0.04 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.19 -0.65 -0.10 -2.24 0.01 -0.70 -0.62 113.70 109.22 2ekj s SER 23 Ca 0.02 0.92 0.02 0.00 1.31 0.00 0.00 55.95 58.22 2ekj s SER 23 Cb 0.02 0.82 0.01 0.00 0.21 0.00 0.00 66.02 67.08 2ekj s SER 23 CO 0.02 -0.45 -0.14 -0.22 0.41 0.00 0.00 173.24 172.86 2ekj s LEU 24 N -0.63 1.68 0.14 2.44 2.96 -0.96 -3.22 118.68 121.10 2ekj s LEU 24 Ca -0.06 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.25 2ekj s LEU 24 Cb -0.02 -1.01 -0.08 0.00 0.50 0.00 0.00 46.19 45.58 2ekj s LEU 24 CO 0.06 0.02 0.68 -1.58 -1.32 0.00 0.00 176.35 174.20 2ekj s GLN 25 N 0.91 4.33 -0.03 1.98 0.74 0.95 -1.14 119.66 127.40 2ekj s GLN 25 Ca -0.09 0.90 -0.00 0.00 0.05 0.00 0.00 55.36 56.22 2ekj s GLN 25 Cb -0.15 -3.14 0.03 0.00 1.10 0.00 0.00 33.01 30.84 2ekj s GLN 25 CO 0.00 0.55 0.01 0.54 -0.55 0.00 0.00 175.29 175.85 2ekj s VAL 26 N -1.24 0.11 -0.03 1.34 0.11 -1.00 0.32 120.40 120.00 2ekj s VAL 26 Ca 0.35 0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.60 2ekj s VAL 26 Cb -0.20 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2ekj s VAL 26 CO 0.22 0.15 -0.15 -0.94 -3.33 0.00 0.00 175.10 171.05 2ekj s SER 27 N 1.25 1.83 0.29 3.54 1.04 -1.09 -2.23 113.70 118.33 2ekj s SER 27 Ca -0.07 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2ekj s SER 27 Cb -0.13 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 2ekj s SER 27 CO -0.02 0.16 0.13 -1.66 0.98 0.00 0.00 173.24 172.82 2ekj s TRP 28 N -0.13 1.61 -0.36 5.02 -2.14 -1.00 -0.93 118.94 121.00 2ekj s TRP 28 Ca 0.01 -1.26 -0.12 0.00 2.66 0.00 0.00 56.10 57.39 2ekj s TRP 28 Cb -0.08 -0.92 0.01 0.00 -3.10 0.00 0.00 33.47 29.38 2ekj s TRP 28 CO 0.01 -0.40 0.22 0.99 -2.66 0.00 0.00 176.95 175.11 2ekj s THR 29 N -3.62 4.84 0.30 0.66 2.01 0.72 -4.80 115.64 115.75 2ekj s THR 29 Ca 0.36 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2ekj s THR 29 Cb 0.06 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 2ekj s THR 29 CO 0.16 -0.16 1.23 -2.16 -0.69 0.00 0.00 174.62 173.00 2ekj s PRO 30 N 1.62 4.46 0.16 4.92 0.04 -1.26 -3.49 135.00 141.45 2ekj s PRO 30 Ca 0.04 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 2ekj s PRO 30 Cb -0.18 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.27 2ekj s PRO 30 CO 0.08 -0.05 0.14 -0.35 0.04 0.00 0.00 177.00 176.86 2ekj n PRO 31 N 1.09 -1.30 -0.10 0.56 -0.04 -1.26 -5.02 135.00 128.92 2ekj n PRO 31 Ca 0.00 -0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 2ekj n PRO 31 Cb 0.43 -0.21 -0.12 0.00 -0.04 0.00 0.00 33.50 33.56 2ekj n PRO 31 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ekj h LEU 32 N 0.00 0.01 -9.29 1.53 7.12 -1.96 -3.48 115.31 109.23 2ekj h LEU 32 Ca -0.05 -0.54 -0.51 0.00 0.13 0.00 0.00 57.88 56.91 2ekj h LEU 32 Cb 0.16 -0.00 0.24 0.00 -0.53 0.00 0.00 40.66 40.53 2ekj h LEU 32 CO 0.03 1.48 -1.72 0.61 -0.13 0.00 0.00 178.44 178.72 2ekj n GLY 33 N 1.45 -3.22 3.61 3.75 0.00 -1.26 -4.85 105.19 104.68 2ekj n GLY 33 Ca -0.31 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2ekj n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ekj s ARG 34 N -2.62 3.88 -0.20 1.61 3.00 -1.26 -5.02 118.95 118.33 2ekj s ARG 34 Ca 0.45 0.66 -0.05 0.00 -1.00 0.00 0.00 55.73 55.79 2ekj s ARG 34 Cb -0.09 -3.79 -0.03 0.00 0.00 0.00 0.00 34.95 31.04 2ekj s ARG 34 CO 0.71 -0.95 0.01 0.08 0.00 0.00 0.00 175.30 175.16 2ekj s VAL 35 N 3.54 4.08 0.02 7.11 1.01 -1.26 -4.60 120.40 130.29 2ekj s VAL 35 Ca 0.40 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2ekj s VAL 35 Cb -0.12 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 2ekj s VAL 35 CO 0.19 0.42 1.07 -0.07 0.00 0.00 0.00 175.10 176.71 2ekj h LEU 36 N 7.47 -0.43 -8.44 3.92 3.38 -1.61 -3.42 115.31 116.18 2ekj h LEU 36 Ca -0.36 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 2ekj h LEU 36 Cb 1.18 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 2ekj h LEU 36 CO 0.62 -0.28 -0.58 -1.38 0.09 0.00 0.00 178.44 176.91 2ekj s HIS 37 N -3.86 0.90 -0.40 1.13 -3.43 -1.26 -2.73 115.29 105.65 2ekj s HIS 37 Ca -0.07 -1.21 -0.03 0.00 -0.80 0.00 0.00 55.06 52.95 2ekj s HIS 37 Cb 0.01 -0.43 0.11 0.00 -1.43 0.00 0.00 32.58 30.83 2ekj s HIS 37 CO 0.22 -0.61 0.18 0.71 -2.00 0.00 0.00 174.74 173.25 2ekj s TYR 38 N -4.08 3.58 -0.63 0.38 2.02 -0.48 -2.13 117.35 116.02 2ekj s TYR 38 Ca 0.29 -2.40 -0.27 0.00 -0.37 0.00 0.00 57.07 54.32 2ekj s TYR 38 Cb 0.06 -3.13 -0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2ekj s TYR 38 CO 0.06 -0.96 1.62 -0.46 -1.57 0.00 0.00 175.55 174.24 2ekj s TRP 39 N 1.14 1.94 -0.10 2.71 -0.00 -1.05 -3.03 118.94 120.55 2ekj s TRP 39 Ca 0.07 0.50 -0.13 0.00 -0.00 0.00 0.00 56.10 56.55 2ekj s TRP 39 Cb -0.22 -4.29 -0.05 0.00 -0.00 0.00 0.00 33.47 28.91 2ekj s TRP 39 CO -0.04 -2.22 0.29 -1.17 -0.00 0.00 0.00 176.95 173.81 2ekj s LEU 40 N 7.56 4.34 -0.25 5.86 0.20 -1.00 -2.63 118.68 132.76 2ekj s LEU 40 Ca 0.56 0.64 -0.03 0.00 0.69 0.00 0.00 54.13 55.99 2ekj s LEU 40 Cb -0.11 -2.37 0.08 0.00 -0.43 0.00 0.00 46.19 43.36 2ekj s LEU 40 CO 0.20 0.23 0.08 0.42 -0.29 0.00 0.00 176.35 177.00 2ekj s THR 41 N -0.32 0.48 -0.04 3.68 -4.23 0.33 -0.24 115.64 115.30 2ekj s THR 41 Ca 0.18 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 2ekj s THR 41 Cb -0.14 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 2ekj s THR 41 CO 0.07 -0.46 0.23 -0.72 -0.54 0.00 0.00 174.62 173.19 2ekj s TYR 42 N 1.85 3.60 0.02 3.99 1.13 -0.79 -0.28 117.35 126.87 2ekj s TYR 42 Ca 0.05 0.58 -0.16 0.00 -1.41 0.00 0.00 57.07 56.12 2ekj s TYR 42 Cb -0.17 -1.99 0.03 0.00 -1.10 0.00 0.00 41.96 38.73 2ekj s TYR 42 CO -0.19 0.66 0.36 0.00 -2.51 0.00 0.00 175.55 173.87 2ekj s ALA 43 N -1.19 -0.88 -0.87 9.51 0.00 -0.86 -1.51 121.76 125.96 2ekj s ALA 43 Ca 0.23 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 2ekj s ALA 43 Cb -0.13 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2ekj s ALA 43 CO 0.12 -0.37 1.94 -1.25 0.00 0.00 0.00 175.76 176.20 2ekj s PRO 44 N -2.01 2.57 0.18 0.00 0.04 -1.26 0.12 135.00 134.63 2ekj s PRO 44 Ca -0.08 -0.18 -0.10 0.00 0.04 0.00 0.00 61.00 60.68 2ekj s PRO 44 Cb -0.02 -4.98 0.23 0.00 0.04 0.00 0.00 34.50 29.77 2ekj s PRO 44 CO 0.01 -3.30 1.10 0.00 0.04 0.00 0.00 177.00 174.85 2ekj n ALA 45 N 13.82 0.02 -0.28 8.56 0.00 -1.26 0.85 120.51 142.21 2ekj n ALA 45 Ca 0.38 0.73 0.09 0.00 0.00 0.00 0.00 53.44 54.64 2ekj n ALA 45 Cb 0.48 -0.38 0.18 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.08 -0.18 0.00 0.00 7.64 -1.26 -4.81 113.62 109.92 2ekj n SER 46 Ca 0.09 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.32 2ekj n SER 46 Cb 0.31 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2ekj n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ekj n GLY 47 N -1.44 0.89 0.07 0.23 0.00 0.25 -5.06 105.19 100.13 2ekj n GLY 47 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 1.07 -4.96 0.99 4.77 -1.26 -5.11 117.00 112.50 2ekj n LEU 48 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2ekj n LEU 48 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2ekj n LEU 48 CO 0.00 0.17 0.09 -0.83 -1.33 0.00 0.00 177.39 175.49 2ekj s GLY 49 N -3.44 2.00 0.96 -0.72 0.00 -1.26 -5.12 107.32 99.73 2ekj s GLY 49 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 2ekj s GLY 49 CO 0.00 -1.56 0.85 -1.55 0.00 0.00 0.00 173.10 170.84 2ekj n PRO 50 N -1.73 -2.68 -3.88 2.90 -0.04 -1.26 -4.63 135.00 123.67 2ekj n PRO 50 Ca 0.06 -1.35 -0.36 0.00 -0.04 0.00 0.00 63.50 61.81 2ekj n PRO 50 Cb 0.60 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.66 2ekj n PRO 50 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ekj s GLU 51 N -4.92 3.58 0.34 0.54 -6.30 -1.26 -4.37 118.70 106.31 2ekj s GLU 51 Ca 0.55 -0.52 0.04 0.00 -2.50 0.00 0.00 54.97 52.54 2ekj s GLU 51 Cb -0.05 -3.18 -0.02 0.00 0.00 0.00 0.00 34.13 30.88 2ekj s GLU 51 CO 0.42 -0.13 0.50 0.15 0.02 0.00 0.00 175.26 176.22 2ekj s LYS 52 N 1.41 3.22 -0.07 4.30 -0.14 -0.57 -4.99 119.74 122.90 2ekj s LYS 52 Ca 0.05 -0.74 -0.04 0.00 -1.36 0.00 0.00 55.97 53.88 2ekj s LYS 52 Cb -0.15 -2.75 0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2ekj s LYS 52 CO 0.01 0.07 0.16 -1.54 -0.76 0.00 0.00 175.35 173.30 2ekj s SER 53 N -4.12 -0.14 -0.06 2.83 1.04 -1.26 -1.88 113.70 110.11 2ekj s SER 53 Ca 0.43 0.33 0.04 0.00 0.48 0.00 0.00 55.95 57.22 2ekj s SER 53 Cb -0.10 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 2ekj s SER 53 CO 0.33 -0.12 -0.18 0.68 0.98 0.00 0.00 173.24 174.93 2ekj s VAL 54 N 0.84 1.53 0.33 5.02 -7.23 0.66 -4.99 120.40 116.56 2ekj s VAL 54 Ca -0.06 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.10 2ekj s VAL 54 Cb -0.08 -1.32 -0.10 0.00 0.56 0.00 0.00 36.38 35.44 2ekj s VAL 54 CO -0.04 0.44 0.95 -0.55 -0.31 0.00 0.00 175.10 175.59 2ekj s SER 55 N 0.17 7.31 -0.01 4.85 0.15 -1.26 -2.38 113.70 122.53 2ekj s SER 55 Ca -0.08 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.42 2ekj s SER 55 Cb -0.13 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2ekj s SER 55 CO 0.04 -0.09 -0.01 -0.69 1.20 0.00 0.00 173.24 173.69 2ekj s VAL 56 N -1.62 0.10 -0.10 4.45 1.01 -1.17 -4.97 120.40 118.11 2ekj s VAL 56 Ca 0.51 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2ekj s VAL 56 Cb -0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2ekj s VAL 56 CO 0.24 0.06 1.52 -2.16 0.00 0.00 0.00 175.10 174.77 2ekj s PRO 57 N 0.34 4.18 0.41 2.72 0.04 -1.26 -1.38 135.00 140.05 2ekj s PRO 57 Ca -0.03 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.25 2ekj s PRO 57 Cb -0.05 -3.92 1.34 0.00 0.04 0.00 0.00 34.50 31.92 2ekj s PRO 57 CO -0.01 -0.82 1.62 0.78 0.04 0.00 0.00 177.00 178.62 2ekj h GLY 58 N 10.12 1.63 -0.97 0.56 0.00 -1.77 0.12 103.07 112.77 2ekj h GLY 58 Ca -0.35 -0.15 0.31 0.00 0.00 0.00 0.00 47.33 47.15 2ekj h GLY 58 CO 0.96 -0.49 0.16 0.00 0.00 0.00 0.00 176.54 177.17 2ekj h ALA 59 N 1.72 1.43 -2.15 3.60 0.00 -1.85 -3.39 119.26 118.61 2ekj h ALA 59 Ca 0.81 0.32 -0.51 0.00 0.00 0.00 0.00 54.91 55.53 2ekj h ALA 59 Cb 2.32 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 20.59 2ekj h ALA 59 CO -0.52 -0.67 -0.54 -0.98 0.00 0.00 0.00 179.25 176.55 2ekj s ARG 60 N -5.88 2.79 -0.19 0.00 1.70 0.42 -5.04 118.95 112.75 2ekj s ARG 60 Ca -0.12 -1.15 0.13 0.00 -0.47 0.00 0.00 55.73 54.12 2ekj s ARG 60 Cb 0.30 -2.48 0.43 0.00 -0.57 0.00 0.00 34.95 32.63 2ekj s ARG 60 CO 0.78 0.35 1.20 -1.13 -1.08 0.00 0.00 175.30 175.43 2ekj n SER 61 N -1.16 1.98 -3.73 -2.89 3.41 -1.26 -4.75 113.62 105.22 2ekj n SER 61 Ca -0.07 -3.51 -0.14 0.00 -0.26 0.00 0.00 58.87 54.89 2ekj n SER 61 Cb 0.58 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 2ekj n SER 61 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ekj s HIS 62 N -2.76 -0.27 -0.04 7.33 3.76 -1.26 -2.37 115.29 119.67 2ekj s HIS 62 Ca 0.39 0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 55.48 2ekj s HIS 62 Cb 0.38 0.14 0.09 0.00 1.11 0.00 0.00 32.58 34.30 2ekj s HIS 62 CO -0.07 -0.39 0.77 0.54 -0.85 0.00 0.00 174.74 174.73 2ekj s VAL 63 N -1.11 0.00 -0.01 -0.90 0.11 -0.95 -5.01 120.40 112.53 2ekj s VAL 63 Ca -0.11 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2ekj s VAL 63 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2ekj s VAL 63 CO 0.05 0.00 0.06 -0.89 -3.33 0.00 0.00 175.10 170.98 2ekj s THR 64 N -1.80 4.59 -0.57 5.04 2.01 -1.26 -2.38 115.64 121.26 2ekj s THR 64 Ca -0.05 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2ekj s THR 64 Cb -0.00 -3.07 0.15 0.00 0.01 0.00 0.00 72.50 69.58 2ekj s THR 64 CO 0.02 0.38 0.42 -0.76 -0.69 0.00 0.00 174.62 173.99 2ekj s LEU 65 N -1.62 5.59 1.22 4.42 1.43 -0.29 -4.94 118.68 124.49 2ekj s LEU 65 Ca 0.21 -2.41 -0.20 0.00 -1.03 0.00 0.00 54.13 50.70 2ekj s LEU 65 Cb -0.12 -1.94 0.30 0.00 0.03 0.00 0.00 46.19 44.45 2ekj s LEU 65 CO 0.12 -0.52 1.11 -2.16 0.23 0.00 0.00 176.35 175.13 2ekj s PRO 66 N 0.59 -1.39 -1.17 1.29 0.04 -1.26 -2.26 135.00 130.84 2ekj s PRO 66 Ca 0.12 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.00 2ekj s PRO 66 Cb -0.21 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2ekj s PRO 66 CO -0.03 -3.81 0.90 -0.25 0.04 0.00 0.00 177.00 173.85 2ekj n ASP 67 N -4.82 -3.55 -4.64 6.66 8.00 0.21 -4.85 116.55 113.57 2ekj n ASP 67 Ca 0.14 -0.72 -0.26 0.00 0.71 0.00 0.00 54.79 54.66 2ekj n ASP 67 Cb 0.60 -4.83 -0.10 0.00 -0.02 0.00 0.00 41.12 36.77 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ekj s LEU 68 N -6.12 2.93 0.00 0.64 1.43 -0.34 -4.97 118.68 112.25 2ekj s LEU 68 Ca 0.18 -1.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2ekj s LEU 68 Cb -0.03 -1.13 0.06 0.00 0.03 0.00 0.00 46.19 45.12 2ekj s LEU 68 CO 0.76 -0.39 0.50 0.00 0.23 0.00 0.00 176.35 177.45 2ekj n GLN 69 N -1.00 0.73 -4.06 1.70 1.13 -1.21 -3.86 117.38 110.81 2ekj n GLN 69 Ca -0.04 -2.87 -0.22 0.00 -1.94 0.00 0.00 57.00 51.93 2ekj n GLN 69 Cb 0.65 0.09 -0.04 0.00 0.11 0.00 0.00 30.24 31.05 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 -2.65 3.71 -1.54 -1.58 0.00 -1.23 -4.56 121.76 113.91 2ekj s ALA 70 Ca 0.38 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2ekj s ALA 70 Cb -0.03 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2ekj s ALA 70 CO 0.24 0.28 0.33 0.00 0.00 0.00 0.00 175.76 176.61 2ekj n ALA 71 N -1.16 -1.84 -3.34 0.00 0.00 -1.01 -4.93 120.51 108.22 2ekj n ALA 71 Ca -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2ekj n ALA 71 Cb 0.57 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.97 -0.77 1.16 0.00 2.01 -1.26 -4.90 115.64 107.91 2ekj s THR 72 Ca 0.17 -0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 2ekj s THR 72 Cb -0.09 -0.87 0.27 0.00 0.01 0.00 0.00 72.50 71.81 2ekj s THR 72 CO 0.95 -0.05 1.09 -1.59 -0.69 0.00 0.00 174.62 174.33 2ekj s LYS 73 N 2.69 -0.90 -0.20 4.92 0.00 -1.26 -2.88 119.74 122.12 2ekj s LYS 73 Ca 0.12 0.11 -0.08 0.00 0.00 0.00 0.00 55.97 56.12 2ekj s LYS 73 Cb -0.15 -1.62 0.08 0.00 0.00 0.00 0.00 37.83 36.15 2ekj s LYS 73 CO -0.17 -3.53 0.44 0.71 0.00 0.00 0.00 175.35 172.79 2ekj s TYR 74 N -2.95 -0.76 -0.75 1.78 1.51 -1.21 -4.35 117.35 110.63 2ekj s TYR 74 Ca 0.69 1.50 -0.26 0.00 -1.01 0.00 0.00 57.07 58.00 2ekj s TYR 74 Cb -0.13 0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 42.04 2ekj s TYR 74 CO 0.57 -0.44 1.74 0.50 -1.11 0.00 0.00 175.55 176.81 2ekj s ARG 75 N 2.17 2.80 -0.32 -0.62 3.52 0.33 -3.49 118.95 123.33 2ekj s ARG 75 Ca -0.05 0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.37 2ekj s ARG 75 Cb -0.10 -4.62 0.01 0.00 -1.56 0.00 0.00 34.95 28.67 2ekj s ARG 75 CO -0.13 -2.75 0.85 0.08 -0.81 0.00 0.00 175.30 172.53 2ekj s VAL 76 N 8.37 4.72 -0.36 7.11 1.01 0.11 -2.03 120.40 139.35 2ekj s VAL 76 Ca 0.60 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 2ekj s VAL 76 Cb -0.09 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2ekj s VAL 76 CO 0.11 -0.34 0.15 -0.76 0.00 0.00 0.00 175.10 174.26 2ekj s LEU 77 N 3.13 4.52 -0.10 3.92 1.02 0.61 -2.16 118.68 129.63 2ekj s LEU 77 Ca 0.35 -1.17 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 2ekj s LEU 77 Cb -0.13 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2ekj s LEU 77 CO 0.14 -0.37 -0.03 -0.69 0.02 0.00 0.00 176.35 175.42 2ekj s VAL 78 N 1.43 4.01 -0.03 -1.59 1.01 -1.05 -0.51 120.40 123.67 2ekj s VAL 78 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2ekj s VAL 78 Cb -0.20 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2ekj s VAL 78 CO 0.03 0.57 0.02 -0.44 0.00 0.00 0.00 175.10 175.28 2ekj s SER 79 N -0.51 0.45 0.06 3.32 0.01 -1.08 -2.38 113.70 113.57 2ekj s SER 79 Ca 0.08 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.05 2ekj s SER 79 Cb -0.12 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 2ekj s SER 79 CO 0.02 -0.13 1.06 0.00 0.41 0.00 0.00 173.24 174.60 2ekj s ALA 80 N 1.22 3.28 -0.16 1.44 0.00 -1.26 -2.52 121.76 123.76 2ekj s ALA 80 Ca -0.07 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2ekj s ALA 80 Cb -0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2ekj s ALA 80 CO -0.02 -0.26 0.16 0.42 0.00 0.00 0.00 175.76 176.06 2ekj s ILE 81 N 0.70 5.42 0.24 0.00 1.09 -0.91 -0.69 121.20 127.05 2ekj s ILE 81 Ca 0.53 0.27 0.07 0.00 -1.10 0.00 0.00 60.65 60.42 2ekj s ILE 81 Cb -0.25 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.62 2ekj s ILE 81 CO 0.30 0.51 -0.11 -0.31 -0.10 0.00 0.00 174.94 175.23 2ekj s TYR 82 N -0.21 1.85 0.27 3.97 2.02 -1.03 -1.42 117.35 122.79 2ekj s TYR 82 Ca 0.12 -0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 2ekj s TYR 82 Cb -0.12 -0.95 0.60 0.00 -0.40 0.00 0.00 41.96 41.09 2ekj s TYR 82 CO 0.02 0.34 1.66 0.00 -1.57 0.00 0.00 175.55 176.00 2ekj h ALA 83 N 2.42 1.13 0.11 3.71 0.00 -1.98 -2.37 119.26 122.28 2ekj h ALA 83 Ca -0.39 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ekj h ALA 83 Cb 1.23 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ekj h ALA 83 CO 0.64 -0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 2ekj h ALA 84 N 1.71 -0.15 -1.72 0.00 0.00 -1.97 -3.49 119.26 113.64 2ekj h ALA 84 Ca 0.49 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.41 2ekj h ALA 84 Cb 0.92 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2ekj h ALA 84 CO -0.60 -0.20 0.72 0.20 0.00 0.00 0.00 179.25 179.37 2ekj s GLY 85 N -3.48 -0.35 0.28 0.00 0.00 -0.89 -5.16 107.32 97.71 2ekj s GLY 85 Ca -0.12 0.97 -0.21 0.00 0.00 0.00 0.00 44.72 45.36 2ekj s GLY 85 CO 0.43 0.28 0.80 1.09 0.00 0.00 0.00 173.10 175.70 2ekj s ARG 86 N -2.66 4.31 0.90 2.90 1.70 -1.26 -2.48 118.95 122.35 2ekj s ARG 86 Ca 0.11 0.98 -0.14 0.00 -0.47 0.00 0.00 55.73 56.21 2ekj s ARG 86 Cb 0.01 -2.75 0.15 0.00 -0.57 0.00 0.00 34.95 31.79 2ekj s ARG 86 CO -0.04 0.30 1.26 -1.54 -1.08 0.00 0.00 175.30 174.20 2ekj s SER 87 N -1.76 3.72 1.06 -2.89 1.04 0.14 -4.95 113.70 110.06 2ekj s SER 87 Ca 0.48 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 2ekj s SER 87 Cb -0.16 -0.73 0.13 0.00 0.10 0.00 0.00 66.02 65.36 2ekj s SER 87 CO 0.21 -2.38 0.12 -1.84 0.98 0.00 0.00 173.24 170.33 2ekj n GLU 88 N -3.57 -2.00 -4.87 4.02 0.28 -1.26 -4.50 120.64 108.73 2ekj n GLU 88 Ca 0.12 -0.58 -0.33 0.00 -0.16 0.00 0.00 57.16 56.21 2ekj n GLU 88 Cb 0.60 -1.53 -0.15 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.12 2.44 -0.22 -1.84 0.00 -1.26 -4.47 121.76 114.28 2ekj s ALA 89 Ca 0.43 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 2ekj s ALA 89 Cb -0.07 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2ekj s ALA 89 CO 0.47 0.20 0.15 0.14 0.00 0.00 0.00 175.76 176.72 2ekj s VAL 90 N 0.45 5.38 0.46 0.00 -7.23 -1.00 -4.90 120.40 113.56 2ekj s VAL 90 Ca -0.12 0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 60.19 2ekj s VAL 90 Cb -0.16 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 2ekj s VAL 90 CO 0.05 0.38 0.76 -0.94 -0.31 0.00 0.00 175.10 175.05 2ekj s SER 91 N 0.75 6.28 -0.30 4.85 1.04 -1.26 -2.53 113.70 122.54 2ekj s SER 91 Ca 0.08 0.90 -0.10 0.00 0.48 0.00 0.00 55.95 57.30 2ekj s SER 91 Cb -0.12 -2.23 0.16 0.00 0.10 0.00 0.00 66.02 63.92 2ekj s SER 91 CO 0.02 -0.54 0.80 0.00 0.98 0.00 0.00 173.24 174.50 2ekj s ALA 92 N -2.68 -2.47 -0.22 5.32 0.00 -0.92 -4.91 121.76 115.89 2ekj s ALA 92 Ca 0.47 2.05 -0.15 0.00 0.00 0.00 0.00 51.96 54.34 2ekj s ALA 92 Cb -0.10 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2ekj s ALA 92 CO 0.43 -1.07 0.34 0.95 0.00 0.00 0.00 175.76 176.42 2ekj s THR 93 N 2.74 5.23 -0.23 0.00 -4.23 -1.26 -0.71 115.64 117.18 2ekj s THR 93 Ca 0.01 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2ekj s THR 93 Cb -0.10 -3.67 0.07 0.00 1.34 0.00 0.00 72.50 70.13 2ekj s THR 93 CO -0.18 0.25 0.03 -0.83 -0.54 0.00 0.00 174.62 173.36 2ekj s GLY 94 N 1.16 0.88 0.17 3.99 0.00 -1.23 -4.88 107.32 107.40 2ekj s GLY 94 Ca 0.16 -1.02 -0.32 0.00 0.00 0.00 0.00 44.72 43.54 2ekj s GLY 94 CO 0.08 1.39 1.74 -0.18 0.00 0.00 0.00 173.10 176.12 2ekj n GLN 95 N 4.95 2.65 -0.90 2.90 7.27 -1.26 -3.28 117.38 129.69 2ekj n GLN 95 Ca -0.08 0.96 -0.30 0.00 0.07 0.00 0.00 57.00 57.65 2ekj n GLN 95 Cb 0.45 -2.80 0.25 0.00 2.41 0.00 0.00 30.24 30.55 2ekj n GLN 95 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2ekj s THR 96 N 1.66 1.51 0.54 1.69 -4.23 -1.14 -4.68 115.64 110.99 2ekj s THR 96 Ca 0.78 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 61.15 2ekj s THR 96 Cb -0.54 -2.38 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 2ekj s THR 96 CO 0.35 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.41 2ekj s ALA 97 N -2.82 3.11 0.12 3.99 0.00 -1.26 -4.10 121.76 120.79 2ekj s ALA 97 Ca 0.70 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.76 2ekj s ALA 97 Cb -0.11 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2ekj s ALA 97 CO 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.97 2ekj n PRO 99 N 0.32 0.35 -2.67 0.00 -0.04 -1.26 -4.77 135.00 126.93 2ekj n PRO 99 Ca -0.10 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 2ekj n PRO 99 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2ekj n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ekj s SER 100 N -2.28 7.03 0.00 3.54 0.01 -1.26 -4.93 113.70 115.81 2ekj s SER 100 Ca 0.19 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2ekj s SER 100 Cb 0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2ekj s SER 100 CO 0.20 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2ekj n GLY 101 N 0.33 0.67 3.68 3.44 0.00 -1.26 -5.05 105.19 107.01 2ekj n GLY 101 Ca 0.04 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.87 4.25 -0.17 1.61 0.04 -1.26 -5.01 135.00 133.59 2ekj s PRO 102 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2ekj s PRO 102 Cb 0.00 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 2ekj s PRO 102 CO 0.00 -0.64 -0.12 -1.12 0.04 0.00 0.00 177.00 175.16 2ekj s SER 103 N 2.15 3.91 -1.38 6.66 0.01 -1.26 -4.62 113.70 119.18 2ekj s SER 103 Ca 0.66 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.42 2ekj s SER 103 Cb -0.32 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.31 2ekj s SER 103 CO 0.27 0.07 1.09 -0.24 0.41 0.00 0.00 173.24 174.84 2ekj n SER 104 N 4.15 -5.20 0.00 2.44 2.88 -1.26 -5.30 113.62 111.32 2ekj n SER 104 Ca -0.19 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 2ekj n SER 104 Cb 0.52 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42