#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 -0.25 -3.57 1.61 0.02 -2.09 -3.43 113.55 105.84 2ekj h SER 2 Ca 0.00 -0.26 -0.62 0.00 -0.84 0.00 0.00 61.79 60.06 2ekj h SER 2 Cb 0.00 0.06 -0.15 0.00 0.14 0.00 0.00 62.40 62.45 2ekj h SER 2 CO 0.00 0.27 -0.52 -0.44 -1.14 0.00 0.00 176.83 175.00 2ekj s SER 3 N -5.34 5.98 0.00 3.07 0.01 -1.26 -5.08 113.70 111.08 2ekj s SER 3 Ca -0.12 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 2ekj s SER 3 Cb 0.01 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 2ekj s SER 3 CO 0.43 0.06 0.02 -0.83 0.41 0.00 0.00 173.24 173.33 2ekj s GLY 4 N 1.06 0.10 -1.50 3.44 0.00 -1.26 -4.86 107.32 104.30 2ekj s GLY 4 Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 2ekj s GLY 4 CO 0.04 -0.28 0.91 1.44 0.00 0.00 0.00 173.10 175.21 2ekj n SER 5 N 2.23 -3.94 -4.41 1.64 7.64 -1.26 -4.89 113.62 110.63 2ekj n SER 5 Ca -0.19 -0.81 -0.45 0.00 1.01 0.00 0.00 58.87 58.44 2ekj n SER 5 Cb 0.57 -3.83 -0.02 0.00 -1.01 0.00 0.00 64.21 59.93 2ekj n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ekj s SER 6 N -3.53 6.81 -0.78 6.43 1.04 -1.26 -4.61 113.70 117.80 2ekj s SER 6 Ca 0.53 -2.53 -0.01 0.00 0.48 0.00 0.00 55.95 54.42 2ekj s SER 6 Cb -0.27 -2.33 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 2ekj s SER 6 CO 0.83 -0.80 0.68 0.61 0.98 0.00 0.00 173.24 175.54 2ekj n GLY 7 N 4.58 -1.25 2.75 7.32 0.00 -1.26 -4.95 105.19 112.39 2ekj n GLY 7 Ca 0.24 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.55 0.77 -0.15 1.61 0.52 -1.26 -4.80 118.95 112.09 2ekj s ARG 8 Ca 0.02 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 2ekj s ARG 8 Cb -0.00 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.37 2ekj s ARG 8 CO 0.79 -0.73 -0.18 0.45 0.02 0.00 0.00 175.30 175.65 2ekj s SER 9 N 1.75 2.85 0.73 0.23 0.15 -1.26 -4.87 113.70 113.28 2ekj s SER 9 Ca 0.01 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.00 2ekj s SER 9 Cb -0.17 -1.30 0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2ekj s SER 9 CO -0.13 0.01 1.10 -2.16 1.20 0.00 0.00 173.24 173.26 2ekj s PRO 10 N 1.16 2.46 0.04 5.44 0.04 -1.26 -4.71 135.00 138.16 2ekj s PRO 10 Ca -0.01 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 2ekj s PRO 10 Cb -0.14 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2ekj s PRO 10 CO -0.07 -1.50 1.42 -1.25 0.04 0.00 0.00 177.00 175.64 2ekj s PRO 11 N -4.60 4.29 0.51 0.56 0.04 -1.26 -4.89 135.00 129.64 2ekj s PRO 11 Ca 0.63 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.73 2ekj s PRO 11 Cb -0.18 -3.47 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2ekj s PRO 11 CO 0.51 -0.54 0.12 -1.12 0.04 0.00 0.00 177.00 176.00 2ekj s SER 12 N 1.69 4.26 -1.43 6.66 0.01 -1.25 -4.74 113.70 118.89 2ekj s SER 12 Ca 0.65 -1.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.37 2ekj s SER 12 Cb -0.34 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2ekj s SER 12 CO 0.28 -0.87 0.56 0.59 0.41 0.00 0.00 173.24 174.21 2ekj n ASN 13 N -1.37 -5.76 -4.68 2.44 3.02 -1.26 -1.18 115.26 106.46 2ekj n ASN 13 Ca -0.13 -0.26 -0.45 0.00 -0.03 0.00 0.00 54.58 53.71 2ekj n ASN 13 Cb 0.66 -4.59 -0.04 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.71 3.35 -3.77 3.41 4.77 -1.26 -4.51 117.00 115.27 2ekj n LEU 14 Ca -0.10 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.65 2ekj n LEU 14 Cb 0.61 -1.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.09 2ekj n LEU 14 CO 0.43 -0.15 -0.36 0.00 -1.33 0.00 0.00 177.39 175.98 2ekj s ALA 15 N 1.37 1.39 -0.32 -1.18 0.00 -0.89 -5.01 121.76 117.12 2ekj s ALA 15 Ca 0.80 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 2ekj s ALA 15 Cb -0.64 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 2ekj s ALA 15 CO 0.38 -1.37 0.52 -0.51 0.00 0.00 0.00 175.76 174.78 2ekj s LEU 16 N 1.68 4.23 -0.11 0.00 1.02 -1.26 -2.04 118.68 122.19 2ekj s LEU 16 Ca 0.02 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.35 2ekj s LEU 16 Cb -0.17 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.39 2ekj s LEU 16 CO -0.14 -0.42 -0.13 0.00 0.02 0.00 0.00 176.35 175.68 2ekj s ALA 17 N 2.39 2.66 -0.28 4.21 0.00 0.12 -4.91 121.76 125.95 2ekj s ALA 17 Ca 0.20 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 2ekj s ALA 17 Cb -0.15 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.80 2ekj s ALA 17 CO 0.12 0.32 0.04 0.45 0.00 0.00 0.00 175.76 176.69 2ekj s SER 18 N 0.11 4.92 -0.14 0.00 0.15 -1.26 -0.08 113.70 117.41 2ekj s SER 18 Ca -0.06 -0.78 0.09 0.00 0.70 0.00 0.00 55.95 55.90 2ekj s SER 18 Cb -0.15 -1.82 -0.15 0.00 -1.71 0.00 0.00 66.02 62.19 2ekj s SER 18 CO 0.04 -0.18 0.00 -0.62 1.20 0.00 0.00 173.24 173.69 2ekj n GLU 19 N 4.81 1.58 -3.89 5.44 1.02 -1.26 -4.77 120.64 123.57 2ekj n GLU 19 Ca -0.15 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 56.90 2ekj n GLU 19 Cb 0.47 -1.33 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2ekj s THR 20 N -2.32 0.05 -2.00 2.62 -1.32 -1.25 -4.98 115.64 106.45 2ekj s THR 20 Ca -0.10 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 2ekj s THR 20 Cb 0.04 -0.25 0.03 0.00 -1.51 0.00 0.00 72.50 70.82 2ekj s THR 20 CO 0.50 -0.23 0.56 -0.81 -2.21 0.00 0.00 174.62 172.42 2ekj n PRO 21 N 2.22 0.49 -0.00 7.08 -0.04 -1.26 -1.90 135.00 141.59 2ekj n PRO 21 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 2ekj n PRO 21 Cb 0.57 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.54 2.58 -3.75 3.54 8.00 -1.26 -3.10 116.55 122.03 2ekj n ASP 22 Ca 0.01 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 2ekj n ASP 22 Cb 0.00 1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 42.44 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ekj s SER 23 N -3.00 -0.06 -0.08 -2.24 1.04 -0.80 0.45 113.70 109.02 2ekj s SER 23 Ca -0.03 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 2ekj s SER 23 Cb 0.06 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2ekj s SER 23 CO 0.40 -0.77 -0.00 -0.22 0.98 0.00 0.00 173.24 173.62 2ekj s LEU 24 N -2.76 0.63 0.32 2.42 2.96 -1.05 -3.84 118.68 117.37 2ekj s LEU 24 Ca 0.03 -0.12 -0.26 0.00 -0.22 0.00 0.00 54.13 53.56 2ekj s LEU 24 Cb 0.03 -0.47 -0.10 0.00 0.50 0.00 0.00 46.19 46.16 2ekj s LEU 24 CO -0.11 -0.19 0.97 -1.58 -1.32 0.00 0.00 176.35 174.11 2ekj s GLN 25 N 1.96 4.56 -0.14 1.98 0.74 0.88 -1.86 119.66 127.78 2ekj s GLN 25 Ca 0.05 1.39 -0.07 0.00 0.05 0.00 0.00 55.36 56.79 2ekj s GLN 25 Cb -0.12 -2.84 0.06 0.00 1.10 0.00 0.00 33.01 31.20 2ekj s GLN 25 CO -0.05 0.25 0.32 0.54 -0.55 0.00 0.00 175.29 175.79 2ekj s VAL 26 N -1.55 -0.14 0.42 1.34 0.11 -0.44 0.16 120.40 120.30 2ekj s VAL 26 Ca 0.50 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.73 2ekj s VAL 26 Cb -0.21 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2ekj s VAL 26 CO 0.26 0.06 0.06 -0.55 -3.33 0.00 0.00 175.10 171.60 2ekj s SER 27 N 1.58 3.24 0.18 3.54 0.15 -0.86 -0.89 113.70 120.64 2ekj s SER 27 Ca -0.07 -1.56 -0.24 0.00 0.70 0.00 0.00 55.95 54.78 2ekj s SER 27 Cb -0.10 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2ekj s SER 27 CO -0.10 -0.77 0.96 -1.66 1.20 0.00 0.00 173.24 172.87 2ekj s TRP 28 N -3.06 -0.07 -0.34 3.44 -2.14 -0.18 -2.11 118.94 114.48 2ekj s TRP 28 Ca 0.23 -0.29 -0.16 0.00 2.66 0.00 0.00 56.10 58.54 2ekj s TRP 28 Cb 0.05 0.67 -0.01 0.00 -3.10 0.00 0.00 33.47 31.08 2ekj s TRP 28 CO 0.12 -0.92 0.41 0.99 -2.66 0.00 0.00 176.95 174.89 2ekj s THR 29 N -2.99 5.12 0.15 0.66 2.01 -0.32 -4.80 115.64 115.47 2ekj s THR 29 Ca 0.15 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 2ekj s THR 29 Cb -0.02 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 2ekj s THR 29 CO 0.04 -0.12 1.33 -2.16 -0.69 0.00 0.00 174.62 173.02 2ekj s PRO 30 N 2.14 4.36 0.00 4.92 0.04 -1.26 -3.94 135.00 141.26 2ekj s PRO 30 Ca 0.14 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2ekj s PRO 30 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2ekj s PRO 30 CO 0.12 -0.33 0.00 -0.35 0.04 0.00 0.00 177.00 176.48 2ekj n PRO 31 N 3.33 0.19 -0.12 0.56 -0.04 -1.26 -5.02 135.00 132.63 2ekj n PRO 31 Ca 0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2ekj n PRO 31 Cb 0.43 0.00 -0.12 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 2.76 -4.31 1.53 -0.00 -1.26 -5.00 117.00 110.72 2ekj n LEU 32 Ca 0.00 -0.12 -0.33 0.00 -0.00 0.00 0.00 56.01 55.56 2ekj n LEU 32 Cb 0.00 -0.76 0.16 0.00 -0.00 0.00 0.00 43.42 42.81 2ekj n LEU 32 CO 0.00 0.88 -0.45 0.61 -0.00 0.00 0.00 177.39 178.43 2ekj n GLY 33 N 2.29 -2.40 3.50 1.47 0.00 -1.26 -4.85 105.19 103.93 2ekj n GLY 33 Ca -0.43 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.46 3.28 -0.25 1.61 6.06 -1.26 -5.00 118.95 119.94 2ekj s ARG 34 Ca 0.56 -0.83 -0.15 0.00 -2.50 0.00 0.00 55.73 52.80 2ekj s ARG 34 Cb -0.14 -4.49 -0.04 0.00 0.06 0.00 0.00 34.95 30.34 2ekj s ARG 34 CO 0.67 -1.98 0.39 0.54 -2.50 0.00 0.00 175.30 172.42 2ekj s VAL 35 N 4.53 5.18 0.00 7.11 0.11 -1.26 -4.50 120.40 131.58 2ekj s VAL 35 Ca 0.31 0.63 -0.14 0.00 -2.93 0.00 0.00 61.98 59.85 2ekj s VAL 35 Cb -0.10 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.96 2ekj s VAL 35 CO 0.06 0.19 0.87 -0.07 -3.33 0.00 0.00 175.10 172.81 2ekj h LEU 36 N 8.28 -0.43 -8.53 2.54 3.38 -1.76 -3.45 115.31 115.35 2ekj h LEU 36 Ca -0.33 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.43 2ekj h LEU 36 Cb 1.16 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 2ekj h LEU 36 CO 0.67 -0.21 -0.64 -1.38 0.09 0.00 0.00 178.44 176.97 2ekj s HIS 37 N -3.53 1.02 -0.62 1.13 -3.43 -1.26 -3.69 115.29 104.91 2ekj s HIS 37 Ca -0.07 -1.22 -0.03 0.00 -0.80 0.00 0.00 55.06 52.94 2ekj s HIS 37 Cb 0.01 -0.56 0.16 0.00 -1.43 0.00 0.00 32.58 30.76 2ekj s HIS 37 CO 0.22 -0.47 0.44 0.71 -2.00 0.00 0.00 174.74 173.64 2ekj s TYR 38 N -3.97 3.42 -0.51 0.38 2.02 -1.15 -1.91 117.35 115.63 2ekj s TYR 38 Ca 0.27 -2.68 -0.26 0.00 -0.37 0.00 0.00 57.07 54.03 2ekj s TYR 38 Cb 0.07 -3.22 -0.06 0.00 -0.40 0.00 0.00 41.96 38.35 2ekj s TYR 38 CO 0.05 -0.85 2.34 -0.46 -1.57 0.00 0.00 175.55 175.05 2ekj s TRP 39 N -0.00 1.15 -0.17 2.71 -0.00 -0.96 -3.98 118.94 117.69 2ekj s TRP 39 Ca 0.16 1.47 -0.10 0.00 -0.00 0.00 0.00 56.10 57.64 2ekj s TRP 39 Cb -0.20 -3.65 -0.05 0.00 -0.00 0.00 0.00 33.47 29.57 2ekj s TRP 39 CO -0.04 -2.49 0.16 -1.17 -0.00 0.00 0.00 176.95 173.41 2ekj s LEU 40 N 11.82 4.27 -0.16 5.86 0.20 -1.16 -2.18 118.68 137.35 2ekj s LEU 40 Ca 0.93 0.35 -0.02 0.00 0.69 0.00 0.00 54.13 56.08 2ekj s LEU 40 Cb -0.16 -2.13 0.05 0.00 -0.43 0.00 0.00 46.19 43.52 2ekj s LEU 40 CO 0.25 0.24 0.01 0.42 -0.29 0.00 0.00 176.35 176.98 2ekj s THR 41 N -0.06 0.61 -0.07 3.68 -4.23 0.66 -0.86 115.64 115.36 2ekj s THR 41 Ca 0.11 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2ekj s THR 41 Cb -0.12 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2ekj s THR 41 CO 0.01 -0.03 0.02 -0.72 -0.54 0.00 0.00 174.62 173.36 2ekj s TYR 42 N 1.84 3.20 0.09 3.99 1.13 -1.17 -0.09 117.35 126.34 2ekj s TYR 42 Ca 0.01 0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.77 2ekj s TYR 42 Cb -0.16 -1.78 0.01 0.00 -1.10 0.00 0.00 41.96 38.93 2ekj s TYR 42 CO -0.07 0.50 0.24 0.00 -2.51 0.00 0.00 175.55 173.71 2ekj s ALA 43 N -0.96 -0.42 -2.00 9.51 0.00 -1.13 -2.33 121.76 124.43 2ekj s ALA 43 Ca 0.15 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 51.80 2ekj s ALA 43 Cb -0.11 0.51 0.65 0.00 0.00 0.00 0.00 23.12 24.16 2ekj s ALA 43 CO 0.05 -0.52 1.08 -0.35 0.00 0.00 0.00 175.76 176.02 2ekj n PRO 44 N -0.01 0.49 -3.29 0.00 -0.04 -1.26 0.61 135.00 131.51 2ekj n PRO 44 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2ekj n PRO 44 Cb 0.62 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.04 -0.03 0.55 0.00 -1.26 -4.80 120.51 113.08 2ekj n ALA 45 Ca 0.08 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 2ekj n ALA 45 Cb 0.04 -4.43 -0.03 0.00 0.00 0.00 0.00 19.45 15.04 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 -2.25 2.06 0.00 0.00 7.64 -1.26 -5.04 113.62 114.77 2ekj n SER 46 Ca -0.02 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ekj n SER 46 Cb 0.57 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 2.91 2.94 0.18 0.23 0.00 -1.26 -4.81 105.19 105.39 2ekj n GLY 47 Ca -0.12 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 2ekj n GLY 47 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2ekj h LEU 48 N 0.00 0.77-10.40 0.99 8.10 -2.01 -3.46 115.31 109.30 2ekj h LEU 48 Ca 0.00 -0.69 -0.46 0.00 0.11 0.00 0.00 57.88 56.84 2ekj h LEU 48 Cb 0.00 -0.23 0.15 0.00 -0.44 0.00 0.00 40.66 40.14 2ekj h LEU 48 CO 0.00 1.35 0.24 -0.83 -4.11 0.00 0.00 178.44 175.09 2ekj s GLY 49 N -4.11 1.58 0.18 0.17 0.00 -1.26 -4.98 107.32 98.90 2ekj s GLY 49 Ca -0.11 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 2ekj s GLY 49 CO 0.87 0.21 1.31 2.56 0.00 0.00 0.00 173.10 178.05 2ekj s PRO 50 N -5.06 4.38 -0.17 2.90 0.04 -1.26 -5.01 135.00 130.82 2ekj s PRO 50 Ca 0.64 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.56 2ekj s PRO 50 Cb -0.17 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2ekj s PRO 50 CO 0.56 -0.27 0.42 -2.00 0.04 0.00 0.00 177.00 175.75 2ekj s GLU 51 N 0.09 4.24 0.59 4.56 2.12 -1.26 -4.81 118.70 124.23 2ekj s GLU 51 Ca 0.58 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 56.18 2ekj s GLU 51 Cb -0.36 -3.49 0.04 0.00 0.26 0.00 0.00 34.13 30.57 2ekj s GLU 51 CO 0.37 0.05 0.84 0.15 -0.54 0.00 0.00 175.26 176.13 2ekj s LYS 52 N 1.02 2.46 -0.29 4.30 -0.14 -0.98 -5.02 119.74 121.09 2ekj s LYS 52 Ca 0.21 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 54.07 2ekj s LYS 52 Cb -0.15 -2.40 0.13 0.00 -1.68 0.00 0.00 37.83 33.73 2ekj s LYS 52 CO 0.08 -0.85 0.81 -1.12 -0.76 0.00 0.00 175.35 173.51 2ekj s SER 53 N -4.44 -0.83 0.22 2.83 0.01 -1.26 -3.03 113.70 107.19 2ekj s SER 53 Ca 0.58 1.22 0.07 0.00 1.31 0.00 0.00 55.95 59.13 2ekj s SER 53 Cb -0.10 1.68 -0.04 0.00 0.21 0.00 0.00 66.02 67.77 2ekj s SER 53 CO 0.40 -0.18 0.11 0.68 0.41 0.00 0.00 173.24 174.66 2ekj s VAL 54 N 2.12 4.13 0.06 3.43 -7.23 -0.04 -4.99 120.40 117.88 2ekj s VAL 54 Ca -0.07 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2ekj s VAL 54 Cb -0.07 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2ekj s VAL 54 CO -0.18 -0.26 0.21 -0.94 -0.31 0.00 0.00 175.10 173.62 2ekj s SER 55 N -3.48 6.33 -0.02 4.85 1.04 -1.26 -2.96 113.70 118.19 2ekj s SER 55 Ca 0.31 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.01 2ekj s SER 55 Cb -0.08 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.11 2ekj s SER 55 CO 0.22 0.17 -0.03 -0.69 0.98 0.00 0.00 173.24 173.89 2ekj s VAL 56 N -1.51 0.31 -2.00 5.02 1.01 -1.26 -4.97 120.40 116.99 2ekj s VAL 56 Ca 0.35 -0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.41 2ekj s VAL 56 Cb -0.13 -0.32 0.44 0.00 0.00 0.00 0.00 36.38 36.37 2ekj s VAL 56 CO 0.28 0.13 1.33 -0.81 0.00 0.00 0.00 175.10 176.03 2ekj n PRO 57 N 3.57 0.48 0.00 2.72 -0.04 -1.26 -2.95 135.00 137.52 2ekj n PRO 57 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2ekj n PRO 57 Cb 0.54 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2ekj n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ekj n GLY 58 N -0.03 1.03 0.40 0.55 0.00 -1.24 -4.63 105.19 101.26 2ekj n GLY 58 Ca 0.12 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 2.34 -2.66 4.61 0.00 -1.86 -3.39 119.26 118.30 2ekj h ALA 59 Ca 0.00 0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.48 2ekj h ALA 59 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2ekj h ALA 59 CO 0.00 -0.95 -0.23 -0.98 0.00 0.00 0.00 179.25 177.09 2ekj s ARG 60 N -5.47 3.77 -0.36 0.00 1.70 -1.26 -4.99 118.95 112.33 2ekj s ARG 60 Ca -0.09 0.19 0.08 0.00 -0.47 0.00 0.00 55.73 55.43 2ekj s ARG 60 Cb 0.30 -2.96 0.65 0.00 -0.57 0.00 0.00 34.95 32.37 2ekj s ARG 60 CO 0.80 0.53 1.76 -1.13 -1.08 0.00 0.00 175.30 176.18 2ekj n SER 61 N 0.76 3.78 -3.70 -2.89 3.41 -1.26 -4.90 113.62 108.82 2ekj n SER 61 Ca -0.07 -3.50 -0.09 0.00 -0.26 0.00 0.00 58.87 54.95 2ekj n SER 61 Cb 0.52 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.17 0.20 -0.20 7.33 0.00 -1.26 -1.01 115.29 117.18 2ekj s HIS 62 Ca 0.53 -0.64 -0.32 0.00 -3.00 0.00 0.00 55.06 51.63 2ekj s HIS 62 Cb 0.44 0.45 0.15 0.00 -4.00 0.00 0.00 32.58 29.62 2ekj s HIS 62 CO 0.09 -1.19 1.17 0.54 -1.00 0.00 0.00 174.74 174.36 2ekj s VAL 63 N -3.61 0.00 -0.07 -5.38 0.11 -0.07 -4.98 120.40 106.40 2ekj s VAL 63 Ca 0.18 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2ekj s VAL 63 Cb -0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2ekj s VAL 63 CO 0.10 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.83 2ekj s THR 64 N -1.75 2.94 -0.64 5.04 2.01 -1.26 -1.33 115.64 120.64 2ekj s THR 64 Ca 0.06 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 2ekj s THR 64 Cb -0.01 -2.16 0.17 0.00 0.01 0.00 0.00 72.50 70.51 2ekj s THR 64 CO -0.04 0.57 0.55 -0.76 -0.69 0.00 0.00 174.62 174.26 2ekj s LEU 65 N -0.44 6.14 1.12 4.42 1.43 -0.78 -4.91 118.68 125.65 2ekj s LEU 65 Ca 0.05 -2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 50.67 2ekj s LEU 65 Cb -0.12 -2.11 0.25 0.00 0.03 0.00 0.00 46.19 44.24 2ekj s LEU 65 CO 0.02 -0.64 1.10 -2.16 0.23 0.00 0.00 176.35 174.90 2ekj s PRO 66 N 0.76 -0.53 -1.16 1.29 0.04 -1.26 -2.52 135.00 131.61 2ekj s PRO 66 Ca 0.11 0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.28 2ekj s PRO 66 Cb -0.20 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2ekj s PRO 66 CO -0.03 -3.30 0.88 -0.25 0.04 0.00 0.00 177.00 174.33 2ekj n ASP 67 N -4.52 -3.98 -4.75 6.66 9.92 -0.26 -4.87 116.55 114.75 2ekj n ASP 67 Ca 0.09 -0.75 -0.24 0.00 -0.53 0.00 0.00 54.79 53.37 2ekj n ASP 67 Cb 0.59 -4.71 -0.07 0.00 -0.64 0.00 0.00 41.12 36.29 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 -6.08 3.15 0.00 0.64 1.43 0.17 -4.98 118.68 113.01 2ekj s LEU 68 Ca 0.23 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2ekj s LEU 68 Cb -0.04 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2ekj s LEU 68 CO 0.77 -0.54 0.25 0.00 0.23 0.00 0.00 176.35 177.06 2ekj n GLN 69 N -1.26 1.02 -4.40 1.70 6.02 -1.18 -4.08 117.38 115.20 2ekj n GLN 69 Ca -0.01 -1.81 -0.30 0.00 -0.01 0.00 0.00 57.00 54.87 2ekj n GLN 69 Cb 0.64 0.15 -0.11 0.00 1.02 0.00 0.00 30.24 31.94 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 -1.19 -1.58 0.00 -1.25 -4.51 121.76 113.58 2ekj s ALA 70 Ca 0.19 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 2ekj s ALA 70 Cb -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2ekj s ALA 70 CO 0.12 0.60 1.00 0.00 0.00 0.00 0.00 175.76 177.48 2ekj n ALA 71 N 1.06 -1.86 -3.32 0.00 0.00 -0.94 -4.99 120.51 110.46 2ekj n ALA 71 Ca -0.15 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 2ekj n ALA 71 Cb 0.52 -2.80 -0.09 0.00 0.00 0.00 0.00 19.45 17.08 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 -3.34 0.01 0.64 0.00 2.01 -1.26 -4.95 115.64 108.74 2ekj s THR 72 Ca 0.08 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2ekj s THR 72 Cb -0.04 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.87 2ekj s THR 72 CO 0.71 -0.06 0.95 -0.54 -0.69 0.00 0.00 174.62 174.99 2ekj s LYS 73 N -0.20 2.66 -0.24 4.92 3.01 -1.26 -1.24 119.74 127.40 2ekj s LYS 73 Ca -0.04 -0.07 -0.03 0.00 -1.01 0.00 0.00 55.97 54.82 2ekj s LYS 73 Cb -0.03 -2.22 0.13 0.00 -1.01 0.00 0.00 37.83 34.69 2ekj s LYS 73 CO 0.02 -0.90 0.38 0.71 0.51 0.00 0.00 175.35 176.06 2ekj s TYR 74 N -3.10 -0.80 -0.78 3.18 1.51 -1.26 -4.53 117.35 111.57 2ekj s TYR 74 Ca 0.56 0.88 -0.25 0.00 -1.01 0.00 0.00 57.07 57.25 2ekj s TYR 74 Cb -0.11 0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 2ekj s TYR 74 CO 0.45 -0.69 1.80 0.50 -1.11 0.00 0.00 175.55 176.50 2ekj s ARG 75 N 2.54 2.74 -0.49 -0.62 3.52 0.20 -3.51 118.95 123.34 2ekj s ARG 75 Ca 0.11 -0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 2ekj s ARG 75 Cb -0.15 -4.74 0.02 0.00 -1.56 0.00 0.00 34.95 28.53 2ekj s ARG 75 CO -0.15 -2.89 1.25 0.08 -0.81 0.00 0.00 175.30 172.77 2ekj s VAL 76 N 8.77 4.05 -0.41 7.11 1.01 0.13 -2.82 120.40 138.25 2ekj s VAL 76 Ca 0.63 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.56 2ekj s VAL 76 Cb -0.09 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.85 2ekj s VAL 76 CO 0.08 -1.03 0.24 -0.76 0.00 0.00 0.00 175.10 173.63 2ekj s LEU 77 N 4.96 5.02 -0.02 3.92 1.02 0.87 -2.05 118.68 132.41 2ekj s LEU 77 Ca 0.51 -1.42 0.01 0.00 0.02 0.00 0.00 54.13 53.24 2ekj s LEU 77 Cb -0.09 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2ekj s LEU 77 CO 0.30 -0.50 0.00 -0.69 0.02 0.00 0.00 176.35 175.49 2ekj s VAL 78 N 1.43 4.21 -0.07 -1.59 1.01 -1.03 -0.25 120.40 124.11 2ekj s VAL 78 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2ekj s VAL 78 Cb -0.22 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2ekj s VAL 78 CO 0.02 0.43 0.15 -0.44 0.00 0.00 0.00 175.10 175.26 2ekj s SER 79 N -1.40 0.31 -0.16 3.32 0.01 -0.92 -1.99 113.70 112.86 2ekj s SER 79 Ca 0.18 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.45 2ekj s SER 79 Cb -0.11 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2ekj s SER 79 CO 0.08 -0.19 1.24 0.00 0.41 0.00 0.00 173.24 174.78 2ekj s ALA 80 N 1.70 3.65 0.18 1.44 0.00 -1.26 -2.27 121.76 125.19 2ekj s ALA 80 Ca -0.03 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 2ekj s ALA 80 Cb -0.12 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2ekj s ALA 80 CO -0.06 -1.12 0.59 0.42 0.00 0.00 0.00 175.76 175.60 2ekj s ILE 81 N 3.33 4.79 0.05 0.00 -1.09 -0.80 -1.23 121.20 126.25 2ekj s ILE 81 Ca 0.54 0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 59.86 2ekj s ILE 81 Cb -0.21 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2ekj s ILE 81 CO 0.15 0.19 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.71 2ekj s TYR 82 N -1.52 0.53 0.25 3.97 2.02 0.32 -1.97 117.35 120.95 2ekj s TYR 82 Ca 0.40 -0.99 -0.13 0.00 -0.37 0.00 0.00 57.07 55.98 2ekj s TYR 82 Cb -0.15 -0.38 0.34 0.00 -0.40 0.00 0.00 41.96 41.37 2ekj s TYR 82 CO 0.20 -0.34 1.57 0.00 -1.57 0.00 0.00 175.55 175.40 2ekj h ALA 83 N 3.31 0.42 0.11 3.71 0.00 -1.97 -1.09 119.26 123.74 2ekj h ALA 83 Ca -0.34 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ekj h ALA 83 Cb 1.15 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2ekj h ALA 83 CO 0.63 -0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 2ekj h ALA 84 N 1.68 -0.15 -1.63 0.00 0.00 -1.96 -3.49 119.26 113.71 2ekj h ALA 84 Ca 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ekj h ALA 84 Cb 0.65 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ekj h ALA 84 CO -0.95 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 178.39 2ekj n GLY 85 N 0.29 1.28 3.38 0.00 0.00 -0.41 -5.12 105.19 104.61 2ekj n GLY 85 Ca -0.08 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.80 2.85 1.29 1.61 1.70 -1.26 0.12 118.95 123.46 2ekj s ARG 86 Ca 0.00 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 54.32 2ekj s ARG 86 Cb 0.00 -2.41 0.32 0.00 -0.57 0.00 0.00 34.95 32.29 2ekj s ARG 86 CO 0.00 0.40 1.00 -1.54 -1.08 0.00 0.00 175.30 174.08 2ekj s SER 87 N -0.17 0.05 0.96 -2.89 1.04 -0.37 -4.96 113.70 107.38 2ekj s SER 87 Ca -0.01 0.96 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2ekj s SER 87 Cb -0.14 -1.41 0.16 0.00 0.10 0.00 0.00 66.02 64.74 2ekj s SER 87 CO 0.03 -4.70 0.37 -1.84 0.98 0.00 0.00 173.24 168.09 2ekj n GLU 88 N -5.19 -1.77 -4.64 4.02 0.28 -1.26 -4.54 120.64 107.53 2ekj n GLU 88 Ca 0.10 -0.62 -0.31 0.00 -0.16 0.00 0.00 57.16 56.17 2ekj n GLU 88 Cb 0.58 -1.06 -0.17 0.00 1.43 0.00 0.00 31.44 32.23 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 2.01 -0.22 -1.84 0.00 -1.26 -4.45 121.76 113.95 2ekj s ALA 89 Ca 0.29 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 2ekj s ALA 89 Cb -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 2ekj s ALA 89 CO 0.24 -0.01 0.35 0.14 0.00 0.00 0.00 175.76 176.48 2ekj s VAL 90 N 0.83 5.23 0.33 0.00 -7.23 -0.84 -4.89 120.40 113.82 2ekj s VAL 90 Ca -0.08 0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 60.61 2ekj s VAL 90 Cb -0.16 -3.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.05 2ekj s VAL 90 CO -0.01 0.26 0.63 -0.94 -0.31 0.00 0.00 175.10 174.73 2ekj s SER 91 N 1.13 6.47 -0.24 4.85 1.04 -1.26 -2.46 113.70 123.23 2ekj s SER 91 Ca 0.16 0.86 -0.19 0.00 0.48 0.00 0.00 55.95 57.26 2ekj s SER 91 Cb -0.15 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.84 2ekj s SER 91 CO 0.08 -0.27 0.62 0.00 0.98 0.00 0.00 173.24 174.65 2ekj s ALA 92 N -2.19 -1.60 -0.31 5.32 0.00 -0.87 -4.90 121.76 117.22 2ekj s ALA 92 Ca 0.46 1.94 -0.08 0.00 0.00 0.00 0.00 51.96 54.28 2ekj s ALA 92 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2ekj s ALA 92 CO 0.31 -0.32 0.12 0.95 0.00 0.00 0.00 175.76 176.81 2ekj s THR 93 N 0.83 4.25 -0.45 0.00 -4.23 -1.26 0.18 115.64 114.96 2ekj s THR 93 Ca -0.04 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2ekj s THR 93 Cb -0.05 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.72 2ekj s THR 93 CO -0.07 0.05 0.23 -0.83 -0.54 0.00 0.00 174.62 173.46 2ekj s GLY 94 N 1.55 1.82 0.35 3.99 0.00 -1.23 -4.93 107.32 108.87 2ekj s GLY 94 Ca 0.03 -2.70 -0.25 0.00 0.00 0.00 0.00 44.72 41.80 2ekj s GLY 94 CO 0.04 1.41 0.83 -0.18 0.00 0.00 0.00 173.10 175.19 2ekj n GLN 95 N 3.54 0.99 -2.22 2.90 7.27 -1.26 -4.16 117.38 124.44 2ekj n GLN 95 Ca 0.07 0.35 -0.26 0.00 0.07 0.00 0.00 57.00 57.23 2ekj n GLN 95 Cb 0.34 -1.72 0.06 0.00 2.41 0.00 0.00 30.24 31.34 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 -1.23 2.40 0.83 1.69 -4.23 -0.37 -4.67 115.64 110.06 2ekj s THR 96 Ca 0.62 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2ekj s THR 96 Cb -0.66 -3.04 0.09 0.00 1.34 0.00 0.00 72.50 70.23 2ekj s THR 96 CO 0.58 -0.05 1.09 0.00 -0.54 0.00 0.00 174.62 175.71 2ekj s ALA 97 N -3.22 1.98 -0.04 3.99 0.00 -1.26 -3.95 121.76 119.25 2ekj s ALA 97 Ca 0.60 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2ekj s ALA 97 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2ekj s ALA 97 CO 0.45 -1.97 -0.23 0.00 0.00 0.00 0.00 175.76 174.01 2ekj s PRO 99 N -0.28 3.03 0.99 0.00 0.04 -1.26 -4.96 135.00 132.55 2ekj s PRO 99 Ca 0.01 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 2ekj s PRO 99 Cb -0.12 -4.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.07 2ekj s PRO 99 CO 0.02 -2.24 -0.43 -1.13 0.04 0.00 0.00 177.00 173.25 2ekj n SER 100 N 11.27 -4.55 0.00 6.66 3.41 -1.26 -5.02 113.62 124.14 2ekj n SER 100 Ca 0.21 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2ekj n SER 100 Cb 0.49 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2ekj n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekj n GLY 101 N 2.82 7.07 3.77 5.00 0.00 -1.26 -5.12 105.19 117.46 2ekj n GLY 101 Ca 0.01 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 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 1.24 3.75 0.25 1.61 0.04 -1.26 -4.93 135.00 135.69 2ekj s PRO 102 Ca 0.00 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 2ekj s PRO 102 Cb 0.00 -2.40 0.36 0.00 0.04 0.00 0.00 34.50 32.50 2ekj s PRO 102 CO 0.00 -0.56 1.59 1.03 0.04 0.00 0.00 177.00 179.10 2ekj h SER 103 N 2.02 -0.75 -2.90 6.66 0.87 -2.06 -3.39 113.55 114.00 2ekj h SER 103 Ca -0.49 0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 59.71 2ekj h SER 103 Cb 1.25 0.51 -0.09 0.00 -0.44 0.00 0.00 62.40 63.63 2ekj h SER 103 CO 0.60 -0.27 -0.60 -0.55 -0.53 0.00 0.00 176.83 175.48 2ekj s SER 104 N -5.24 5.34 0.00 6.23 0.15 -1.26 -5.31 113.70 113.60 2ekj s SER 104 Ca -0.15 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2ekj s SER 104 Cb 0.23 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2ekj s SER 104 CO 0.76 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.91