#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 6.81 -0.07 1.61 0.15 -1.26 -5.04 113.70 115.90 2ekj s SER 2 Ca 0.00 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.64 2ekj s SER 2 Cb 0.00 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2ekj s SER 2 CO 0.00 -0.42 -0.01 -0.94 1.20 0.00 0.00 173.24 173.07 2ekj s SER 3 N 1.28 1.57 -0.46 5.45 1.04 -1.26 -5.08 113.70 116.24 2ekj s SER 3 Ca 0.34 -0.11 -0.41 0.00 0.48 0.00 0.00 55.95 56.25 2ekj s SER 3 Cb -0.16 -0.47 -0.18 0.00 0.10 0.00 0.00 66.02 65.31 2ekj s SER 3 CO 0.09 -0.17 1.90 0.61 0.98 0.00 0.00 173.24 176.65 2ekj n GLY 4 N 5.03 -0.09 3.51 7.32 0.00 -1.26 -4.80 105.19 114.89 2ekj n GLY 4 Ca -0.09 1.02 -0.43 0.00 0.00 0.00 0.00 46.02 46.52 2ekj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj s SER 5 N 5.10 6.64 -0.02 1.61 0.01 -1.26 -4.97 113.70 120.81 2ekj s SER 5 Ca 1.09 -1.93 0.04 0.00 1.31 0.00 0.00 55.95 56.46 2ekj s SER 5 Cb -1.39 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 62.35 2ekj s SER 5 CO 0.64 -1.22 -0.14 -0.55 0.41 0.00 0.00 173.24 172.38 2ekj s SER 6 N 4.14 1.69 0.00 2.44 0.15 -1.26 -4.86 113.70 116.00 2ekj s SER 6 Ca 0.41 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2ekj s SER 6 Cb -0.02 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2ekj s SER 6 CO -0.07 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2ekj n GLY 7 N 2.96 3.00 3.44 9.45 0.00 -1.26 -5.04 105.19 117.73 2ekj n GLY 7 Ca -0.16 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2ekj n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ekj s ARG 8 N 0.00 2.98 -0.23 1.61 1.70 -1.26 -4.83 118.95 118.92 2ekj s ARG 8 Ca 0.00 -1.10 -0.08 0.00 -0.47 0.00 0.00 55.73 54.08 2ekj s ARG 8 Cb 0.00 -4.02 -0.04 0.00 -0.57 0.00 0.00 34.95 30.32 2ekj s ARG 8 CO 0.00 -0.84 0.09 0.45 -1.08 0.00 0.00 175.30 173.93 2ekj s SER 9 N 1.95 5.53 0.78 -2.89 0.15 -1.26 -4.66 113.70 113.30 2ekj s SER 9 Ca 0.05 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 2ekj s SER 9 Cb -0.20 -1.98 0.06 0.00 -1.71 0.00 0.00 66.02 62.18 2ekj s SER 9 CO 0.09 0.05 1.09 -2.16 1.20 0.00 0.00 173.24 173.51 2ekj s PRO 10 N 1.15 2.22 0.41 5.44 0.04 -1.26 -4.77 135.00 138.23 2ekj s PRO 10 Ca 0.05 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 2ekj s PRO 10 Cb -0.14 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2ekj s PRO 10 CO 0.04 -1.67 1.19 -1.25 0.04 0.00 0.00 177.00 175.34 2ekj s PRO 11 N -4.90 4.00 0.38 0.56 0.04 -1.26 -4.88 135.00 128.93 2ekj s PRO 11 Ca 0.61 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.56 2ekj s PRO 11 Cb -0.17 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 2ekj s PRO 11 CO 0.56 -0.38 0.15 -1.12 0.04 0.00 0.00 177.00 176.25 2ekj s SER 12 N -1.12 2.45 -1.21 6.66 0.01 -1.24 -4.85 113.70 114.39 2ekj s SER 12 Ca 0.58 -1.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.14 2ekj s SER 12 Cb -0.31 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.39 2ekj s SER 12 CO 0.39 -0.93 1.04 0.59 0.41 0.00 0.00 173.24 174.75 2ekj n ASN 13 N -1.25 -4.35 -4.72 2.44 3.02 -1.26 -0.17 115.26 108.97 2ekj n ASN 13 Ca -0.03 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 2ekj n ASN 13 Cb 0.65 -4.81 -0.03 0.00 -0.61 0.00 0.00 39.78 34.98 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 -6.58 4.37 -0.25 3.41 1.43 -1.26 -4.29 118.68 115.51 2ekj s LEU 14 Ca 0.31 2.61 -0.02 0.00 -1.03 0.00 0.00 54.13 56.00 2ekj s LEU 14 Cb -0.14 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.57 2ekj s LEU 14 CO 0.69 -0.81 0.06 0.00 0.23 0.00 0.00 176.35 176.51 2ekj s ALA 15 N 1.07 1.31 -0.39 4.21 0.00 -0.91 -5.00 121.76 122.05 2ekj s ALA 15 Ca 0.69 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 2ekj s ALA 15 Cb -0.43 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.29 2ekj s ALA 15 CO 0.32 -1.41 0.50 -0.51 0.00 0.00 0.00 175.76 174.67 2ekj s LEU 16 N 1.72 4.57 -0.15 0.00 1.02 -1.26 -2.28 118.68 122.29 2ekj s LEU 16 Ca 0.03 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2ekj s LEU 16 Cb -0.17 -2.53 -0.01 0.00 0.02 0.00 0.00 46.19 43.50 2ekj s LEU 16 CO -0.16 -0.57 -0.12 0.00 0.02 0.00 0.00 176.35 175.52 2ekj s ALA 17 N 2.37 2.65 -0.38 4.21 0.00 0.13 -4.90 121.76 125.84 2ekj s ALA 17 Ca 0.17 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 2ekj s ALA 17 Cb -0.16 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.67 2ekj s ALA 17 CO 0.15 0.08 0.22 0.45 0.00 0.00 0.00 175.76 176.66 2ekj s SER 18 N 0.63 5.79 -0.07 0.00 0.15 -1.26 0.54 113.70 119.47 2ekj s SER 18 Ca -0.07 -0.98 0.15 0.00 0.70 0.00 0.00 55.95 55.76 2ekj s SER 18 Cb -0.15 -2.04 -0.22 0.00 -1.71 0.00 0.00 66.02 61.89 2ekj s SER 18 CO 0.03 -0.39 0.23 -1.84 1.20 0.00 0.00 173.24 172.47 2ekj n GLU 19 N 5.02 0.91 -3.83 5.44 0.28 -1.26 -4.66 120.64 122.55 2ekj n GLU 19 Ca -0.12 -0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 56.67 2ekj n GLU 19 Cb 0.46 -1.38 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.82 0.05 -2.00 3.84 -1.32 -1.21 -4.99 115.64 107.20 2ekj s THR 20 Ca -0.06 -0.41 0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2ekj s THR 20 Cb 0.08 -0.42 0.35 0.00 -1.51 0.00 0.00 72.50 71.00 2ekj s THR 20 CO 0.64 -0.23 1.16 -0.81 -2.21 0.00 0.00 174.62 173.17 2ekj n PRO 21 N 1.95 0.49 0.00 7.08 -0.04 -1.26 -1.81 135.00 141.41 2ekj n PRO 21 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2ekj n PRO 21 Cb 0.57 -1.39 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2ekj n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ekj n ASP 22 N -0.89 0.41 -3.78 3.54 2.03 -1.25 -2.06 116.55 114.54 2ekj n ASP 22 Ca 0.09 -0.70 -0.13 0.00 0.52 0.00 0.00 54.79 54.57 2ekj n ASP 22 Cb 0.04 0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.95 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ekj s SER 23 N -0.63 -0.20 -0.13 1.67 0.01 -0.75 0.45 113.70 114.11 2ekj s SER 23 Ca 0.00 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 2ekj s SER 23 Cb 0.00 0.42 0.04 0.00 0.21 0.00 0.00 66.02 66.69 2ekj s SER 23 CO 0.01 -0.29 -0.03 -0.22 0.41 0.00 0.00 173.24 173.13 2ekj s LEU 24 N -0.70 1.17 0.28 2.44 2.96 -1.04 -3.33 118.68 120.46 2ekj s LEU 24 Ca -0.08 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 2ekj s LEU 24 Cb -0.04 -0.71 -0.09 0.00 0.50 0.00 0.00 46.19 45.84 2ekj s LEU 24 CO 0.02 -0.20 1.08 -1.58 -1.32 0.00 0.00 176.35 174.36 2ekj s GLN 25 N 1.78 4.65 -0.17 1.98 2.00 0.19 -2.01 119.66 128.09 2ekj s GLN 25 Ca 0.02 1.76 -0.06 0.00 -2.00 0.00 0.00 55.36 55.09 2ekj s GLN 25 Cb -0.14 -3.18 0.08 0.00 0.80 0.00 0.00 33.01 30.57 2ekj s GLN 25 CO -0.07 0.23 0.36 0.54 -0.50 0.00 0.00 175.29 175.85 2ekj s VAL 26 N -1.18 -0.49 0.44 1.34 0.11 -0.32 0.21 120.40 120.52 2ekj s VAL 26 Ca 0.44 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.73 2ekj s VAL 26 Cb -0.31 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2ekj s VAL 26 CO 0.40 0.08 0.06 -0.44 -3.33 0.00 0.00 175.10 171.87 2ekj s SER 27 N 2.39 3.42 0.21 3.54 0.01 -0.97 -0.66 113.70 121.65 2ekj s SER 27 Ca -0.02 -1.61 -0.21 0.00 1.31 0.00 0.00 55.95 55.42 2ekj s SER 27 Cb -0.12 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.56 2ekj s SER 27 CO -0.11 -0.82 0.99 -1.66 0.41 0.00 0.00 173.24 172.05 2ekj s TRP 28 N -3.03 0.06 -0.31 2.43 -2.14 -0.24 -2.14 118.94 113.56 2ekj s TRP 28 Ca 0.18 -0.49 -0.12 0.00 2.66 0.00 0.00 56.10 58.33 2ekj s TRP 28 Cb 0.03 0.72 -0.03 0.00 -3.10 0.00 0.00 33.47 31.09 2ekj s TRP 28 CO 0.10 -1.02 0.22 0.99 -2.66 0.00 0.00 176.95 174.58 2ekj s THR 29 N -2.31 5.28 0.23 0.66 2.01 0.76 -4.78 115.64 117.49 2ekj s THR 29 Ca 0.20 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2ekj s THR 29 Cb -0.03 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 2ekj s THR 29 CO 0.06 0.10 1.28 -2.16 -0.69 0.00 0.00 174.62 173.21 2ekj s PRO 30 N 1.74 4.41 0.57 4.92 0.04 -1.26 -3.69 135.00 141.73 2ekj s PRO 30 Ca 0.06 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 2ekj s PRO 30 Cb -0.17 -3.17 0.14 0.00 0.04 0.00 0.00 34.50 31.34 2ekj s PRO 30 CO 0.11 -0.18 0.51 -0.35 0.04 0.00 0.00 177.00 177.12 2ekj n PRO 31 N 2.13 -2.02 -0.04 0.56 -0.04 -1.26 -5.01 135.00 129.32 2ekj n PRO 31 Ca 0.04 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.55 2ekj n PRO 31 Cb 0.43 -0.76 -0.14 0.00 -0.04 0.00 0.00 33.50 32.99 2ekj n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ekj n LEU 32 N 0.00 1.57 -4.72 1.53 7.94 -1.26 -4.90 117.00 117.16 2ekj n LEU 32 Ca 0.07 0.19 -0.42 0.00 -1.11 0.00 0.00 56.01 54.75 2ekj n LEU 32 Cb 0.27 -0.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.87 2ekj n LEU 32 CO 0.19 0.63 0.87 -0.83 -1.11 0.00 0.00 177.39 177.14 2ekj s GLY 33 N -5.53 2.48 0.12 -3.96 0.00 -1.26 -4.95 107.32 94.21 2ekj s GLY 33 Ca -0.16 0.83 -0.35 0.00 0.00 0.00 0.00 44.72 45.04 2ekj s GLY 33 CO 0.78 1.98 1.30 -0.96 0.00 0.00 0.00 173.10 176.20 2ekj n ARG 34 N 3.75 1.19 -4.55 2.90 0.00 -1.26 -4.97 116.66 113.72 2ekj n ARG 34 Ca 0.08 0.43 -0.30 0.00 -0.00 0.00 0.00 57.85 58.06 2ekj n ARG 34 Cb 0.47 -2.03 -0.17 0.00 -0.00 0.00 0.00 32.46 30.73 2ekj n ARG 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ekj s VAL 35 N 0.29 1.66 0.07 8.89 0.11 -1.26 -4.78 120.40 125.38 2ekj s VAL 35 Ca 0.81 -0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 58.84 2ekj s VAL 35 Cb -0.91 -1.49 -0.13 0.00 -1.53 0.00 0.00 36.38 32.32 2ekj s VAL 35 CO 0.48 0.47 1.44 -0.07 -3.33 0.00 0.00 175.10 174.09 2ekj h LEU 36 N 7.34 -1.17 0.00 2.54 3.38 -1.73 -3.41 115.31 122.27 2ekj h LEU 36 Ca -0.31 0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 2ekj h LEU 36 Cb 1.18 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 2ekj h LEU 36 CO 0.50 -0.49 -0.07 0.00 0.09 0.00 0.00 178.44 178.48 2ekj n HIS 37 N -4.83 -1.66 -3.93 1.13 1.44 -1.26 -3.61 115.22 102.49 2ekj n HIS 37 Ca -0.08 -2.32 -0.30 0.00 -2.01 0.00 0.00 57.72 53.00 2ekj n HIS 37 Cb 0.35 0.64 -0.14 0.00 0.12 0.00 0.00 29.99 30.96 2ekj n HIS 37 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2ekj s TYR 38 N -2.71 3.15 -0.62 -1.40 2.02 -0.85 -2.29 117.35 114.64 2ekj s TYR 38 Ca 0.27 -2.95 -0.26 0.00 -0.37 0.00 0.00 57.07 53.76 2ekj s TYR 38 Cb -0.02 -2.69 -0.07 0.00 -0.40 0.00 0.00 41.96 38.79 2ekj s TYR 38 CO 0.20 -0.82 2.21 -0.46 -1.57 0.00 0.00 175.55 175.10 2ekj s TRP 39 N 0.28 1.32 -0.03 2.71 -0.11 -0.76 -3.71 118.94 118.64 2ekj s TRP 39 Ca 0.15 1.33 -0.18 0.00 1.22 0.00 0.00 56.10 58.62 2ekj s TRP 39 Cb -0.23 -3.74 -0.05 0.00 -1.50 0.00 0.00 33.47 27.94 2ekj s TRP 39 CO -0.04 -2.21 0.50 -1.17 -4.62 0.00 0.00 176.95 169.41 2ekj s LEU 40 N 11.61 4.40 -0.27 5.86 0.20 -0.89 -2.60 118.68 136.99 2ekj s LEU 40 Ca 0.85 1.00 -0.02 0.00 0.69 0.00 0.00 54.13 56.66 2ekj s LEU 40 Cb -0.14 -2.75 0.09 0.00 -0.43 0.00 0.00 46.19 42.96 2ekj s LEU 40 CO 0.18 0.15 0.09 0.42 -0.29 0.00 0.00 176.35 176.90 2ekj s THR 41 N -0.28 0.57 -0.05 3.68 -4.23 0.15 -0.31 115.64 115.18 2ekj s THR 41 Ca 0.27 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 2ekj s THR 41 Cb -0.17 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2ekj s THR 41 CO 0.14 -0.56 0.06 -0.72 -0.54 0.00 0.00 174.62 173.00 2ekj s TYR 42 N 1.79 3.28 0.16 3.99 1.13 -1.24 -0.22 117.35 126.24 2ekj s TYR 42 Ca 0.07 0.25 -0.24 0.00 -1.41 0.00 0.00 57.07 55.73 2ekj s TYR 42 Cb -0.17 -1.79 0.06 0.00 -1.10 0.00 0.00 41.96 38.96 2ekj s TYR 42 CO -0.23 0.55 0.81 0.00 -2.51 0.00 0.00 175.55 174.16 2ekj s ALA 43 N -1.05 -1.56 -0.53 9.51 0.00 -1.21 -3.02 121.76 123.91 2ekj s ALA 43 Ca 0.18 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 2ekj s ALA 43 Cb -0.12 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2ekj s ALA 43 CO 0.08 -0.91 1.81 -1.25 0.00 0.00 0.00 175.76 175.49 2ekj s PRO 44 N -3.52 2.87 0.56 0.00 0.04 -1.26 0.31 135.00 134.00 2ekj s PRO 44 Ca 0.08 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 2ekj s PRO 44 Cb -0.02 -4.31 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 2ekj s PRO 44 CO -0.02 -2.43 -0.32 0.00 0.04 0.00 0.00 177.00 174.26 2ekj n ALA 45 N 11.86 -3.64 -3.10 8.56 0.00 -1.26 -2.60 120.51 130.33 2ekj n ALA 45 Ca 0.21 -0.25 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 2ekj n ALA 45 Cb 0.50 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 2.33 -5.49 0.00 0.00 7.64 -1.26 -4.64 113.62 112.20 2ekj n SER 46 Ca 0.03 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2ekj n SER 46 Cb 0.41 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 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 -1.55 1.68 3.25 0.23 0.00 -1.07 -4.77 105.19 102.95 2ekj n GLY 47 Ca -0.05 0.45 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.39 0.00 0.99 4.77 -1.26 -4.53 117.00 116.58 2ekj n LEU 48 Ca 0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2ekj n LEU 48 Cb 0.00 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 2ekj n LEU 48 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2ekj n GLY 49 N -0.73 1.17 3.59 -0.72 0.00 -1.26 -4.97 105.19 102.26 2ekj n GLY 49 Ca 0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2ekj n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ekj s PRO 50 N -2.00 -1.27 -0.25 1.61 0.04 -1.26 -4.89 135.00 126.98 2ekj s PRO 50 Ca 0.00 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 60.96 2ekj s PRO 50 Cb 0.00 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 33.01 2ekj s PRO 50 CO 0.00 -3.74 -0.06 -2.00 0.04 0.00 0.00 177.00 171.25 2ekj s GLU 51 N -5.42 1.71 0.82 4.56 2.12 -1.26 -4.49 118.70 116.73 2ekj s GLU 51 Ca 0.71 -1.10 -0.05 0.00 0.36 0.00 0.00 54.97 54.89 2ekj s GLU 51 Cb -0.09 -2.66 0.17 0.00 0.26 0.00 0.00 34.13 31.81 2ekj s GLU 51 CO 0.56 -0.62 1.12 0.15 -0.54 0.00 0.00 175.26 175.93 2ekj s LYS 52 N 1.32 1.21 -0.30 4.30 -0.14 -1.17 -5.02 119.74 119.94 2ekj s LYS 52 Ca -0.05 -1.04 -0.14 0.00 -1.36 0.00 0.00 55.97 53.38 2ekj s LYS 52 Cb -0.19 -2.18 0.15 0.00 -1.68 0.00 0.00 37.83 33.93 2ekj s LYS 52 CO -0.06 -1.85 0.91 -1.54 -0.76 0.00 0.00 175.35 172.05 2ekj s SER 53 N -4.84 -0.69 0.02 2.83 1.04 -1.26 -3.62 113.70 107.18 2ekj s SER 53 Ca 0.70 0.98 0.05 0.00 0.48 0.00 0.00 55.95 58.16 2ekj s SER 53 Cb -0.04 1.68 -0.03 0.00 0.10 0.00 0.00 66.02 67.74 2ekj s SER 53 CO 0.48 -0.14 -0.13 0.68 0.98 0.00 0.00 173.24 175.11 2ekj s VAL 54 N 2.29 3.18 0.31 5.02 -7.23 0.58 -4.97 120.40 119.57 2ekj s VAL 54 Ca -0.05 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 2ekj s VAL 54 Cb -0.07 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 2ekj s VAL 54 CO -0.17 0.36 0.68 -0.94 -0.31 0.00 0.00 175.10 174.72 2ekj s SER 55 N -1.43 6.69 -0.09 4.85 1.04 -1.26 -2.09 113.70 121.39 2ekj s SER 55 Ca 0.16 1.14 -0.06 0.00 0.48 0.00 0.00 55.95 57.67 2ekj s SER 55 Cb -0.11 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.73 2ekj s SER 55 CO 0.06 -0.20 0.23 -0.69 0.98 0.00 0.00 173.24 173.62 2ekj s VAL 56 N -2.00 -0.02 -0.30 5.02 1.01 -1.24 -4.96 120.40 117.91 2ekj s VAL 56 Ca 0.52 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2ekj s VAL 56 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2ekj s VAL 56 CO 0.21 0.03 1.66 -2.16 0.00 0.00 0.00 175.10 174.84 2ekj s PRO 57 N 0.68 3.56 0.36 2.72 0.04 -1.26 -2.02 135.00 139.09 2ekj s PRO 57 Ca -0.05 1.45 0.26 0.00 0.04 0.00 0.00 61.00 62.70 2ekj s PRO 57 Cb -0.06 -4.10 1.25 0.00 0.04 0.00 0.00 34.50 31.62 2ekj s PRO 57 CO -0.04 -1.58 1.33 0.41 0.04 0.00 0.00 177.00 177.16 2ekj n GLY 58 N 5.06 -0.70 0.33 0.56 0.00 -1.24 -0.05 105.19 109.15 2ekj n GLY 58 Ca 0.20 0.65 0.15 0.00 0.00 0.00 0.00 46.02 47.02 2ekj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekj n ALA 59 N -2.51 0.50 -2.81 4.61 0.00 -1.26 -4.37 120.51 114.67 2ekj n ALA 59 Ca 0.34 1.03 -0.25 0.00 0.00 0.00 0.00 53.44 54.56 2ekj n ALA 59 Cb 1.29 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 -5.94 3.49 -0.18 0.00 1.70 0.92 -5.02 118.95 113.92 2ekj s ARG 60 Ca -0.12 -0.46 0.15 0.00 -0.47 0.00 0.00 55.73 54.83 2ekj s ARG 60 Cb 0.28 -2.82 0.38 0.00 -0.57 0.00 0.00 34.95 32.22 2ekj s ARG 60 CO 0.75 0.36 1.23 -1.13 -1.08 0.00 0.00 175.30 175.43 2ekj n SER 61 N -1.08 2.26 -3.67 -2.89 3.41 -1.26 -4.83 113.62 105.55 2ekj n SER 61 Ca -0.06 -3.45 -0.15 0.00 -0.26 0.00 0.00 58.87 54.96 2ekj n SER 61 Cb 0.55 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.04 -0.34 0.16 7.33 -3.43 -1.26 -1.08 115.29 113.63 2ekj s HIS 62 Ca 0.36 0.51 -0.20 0.00 -0.80 0.00 0.00 55.06 54.93 2ekj s HIS 62 Cb 0.33 0.22 0.05 0.00 -1.43 0.00 0.00 32.58 31.75 2ekj s HIS 62 CO -0.00 -0.50 0.55 0.54 -2.00 0.00 0.00 174.74 173.33 2ekj s VAL 63 N -1.54 0.02 -0.02 -5.38 0.11 0.17 -4.99 120.40 108.77 2ekj s VAL 63 Ca -0.11 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2ekj s VAL 63 Cb -0.03 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 2ekj s VAL 63 CO 0.05 -0.10 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.60 2ekj s THR 64 N -3.79 1.83 -0.59 5.04 2.01 -1.26 -1.17 115.64 117.70 2ekj s THR 64 Ca 0.03 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2ekj s THR 64 Cb -0.01 -1.52 0.15 0.00 0.01 0.00 0.00 72.50 71.13 2ekj s THR 64 CO -0.10 0.52 0.52 -0.76 -0.69 0.00 0.00 174.62 174.11 2ekj s LEU 65 N -0.54 6.15 0.00 4.42 1.43 -0.85 -4.90 118.68 124.39 2ekj s LEU 65 Ca 0.09 -2.07 -0.20 0.00 -1.03 0.00 0.00 54.13 50.91 2ekj s LEU 65 Cb -0.09 -2.14 0.30 0.00 0.03 0.00 0.00 46.19 44.28 2ekj s LEU 65 CO -0.01 -0.73 1.05 -0.81 0.23 0.00 0.00 176.35 176.09 2ekj n PRO 66 N 4.80 -3.08 -3.84 1.29 -0.04 -1.26 -2.49 135.00 130.37 2ekj n PRO 66 Ca -0.05 -1.69 -0.27 0.00 -0.04 0.00 0.00 63.50 61.45 2ekj n PRO 66 Cb 0.42 -1.58 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2ekj n PRO 66 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ekj n ASP 67 N -4.81 -1.90 -4.91 3.54 5.75 0.16 -4.80 116.55 109.58 2ekj n ASP 67 Ca 0.15 -0.99 -0.24 0.00 -0.01 0.00 0.00 54.79 53.70 2ekj n ASP 67 Cb 0.57 -3.25 -0.00 0.00 -1.03 0.00 0.00 41.12 37.40 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ekj s LEU 68 N -6.80 2.92 0.00 -2.12 1.43 0.17 -4.97 118.68 109.32 2ekj s LEU 68 Ca 0.14 -1.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2ekj s LEU 68 Cb -0.05 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.74 2ekj s LEU 68 CO 0.87 -1.02 0.18 0.00 0.23 0.00 0.00 176.35 176.62 2ekj n GLN 69 N -1.76 1.13 -4.35 1.70 6.02 -0.87 -3.81 117.38 115.43 2ekj n GLN 69 Ca 0.02 -1.60 -0.25 0.00 -0.01 0.00 0.00 57.00 55.16 2ekj n GLN 69 Cb 0.63 0.18 -0.09 0.00 1.02 0.00 0.00 30.24 31.99 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 -2.37 2.93 -1.36 -1.58 0.00 -1.23 -4.36 121.76 113.80 2ekj s ALA 70 Ca 0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 2ekj s ALA 70 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2ekj s ALA 70 CO 0.09 0.35 0.47 0.00 0.00 0.00 0.00 175.76 176.67 2ekj n ALA 71 N -0.42 -2.13 -3.34 0.00 0.00 -1.03 -4.97 120.51 108.62 2ekj n ALA 71 Ca -0.08 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 2ekj n ALA 71 Cb 0.58 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.01 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 -3.88 0.02 0.42 0.00 2.01 -1.26 -4.96 115.64 107.98 2ekj s THR 72 Ca 0.10 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2ekj s THR 72 Cb -0.04 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2ekj s THR 72 CO 0.89 -0.09 0.66 -0.54 -0.69 0.00 0.00 174.62 174.86 2ekj s LYS 73 N -0.50 3.43 -0.24 4.92 3.01 -1.26 -1.42 119.74 127.67 2ekj s LYS 73 Ca -0.06 -0.16 -0.02 0.00 -1.01 0.00 0.00 55.97 54.71 2ekj s LYS 73 Cb -0.03 -2.54 0.11 0.00 -1.01 0.00 0.00 37.83 34.36 2ekj s LYS 73 CO 0.03 -0.06 0.26 0.71 0.51 0.00 0.00 175.35 176.81 2ekj s TYR 74 N -2.52 -0.38 -0.84 3.18 1.51 -1.26 -4.15 117.35 112.89 2ekj s TYR 74 Ca 0.44 0.08 -0.25 0.00 -1.01 0.00 0.00 57.07 56.33 2ekj s TYR 74 Cb -0.10 -0.38 -0.06 0.00 -0.11 0.00 0.00 41.96 41.31 2ekj s TYR 74 CO 0.40 -0.75 2.02 0.50 -1.11 0.00 0.00 175.55 176.61 2ekj s ARG 75 N 2.35 2.40 -0.35 -0.62 3.52 0.15 -3.81 118.95 122.60 2ekj s ARG 75 Ca 0.09 -0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.39 2ekj s ARG 75 Cb -0.15 -4.92 0.01 0.00 -1.56 0.00 0.00 34.95 28.33 2ekj s ARG 75 CO -0.22 -3.47 1.18 0.08 -0.81 0.00 0.00 175.30 172.07 2ekj s VAL 76 N 10.77 4.30 -0.37 7.11 1.01 -0.33 -3.29 120.40 139.60 2ekj s VAL 76 Ca 0.74 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 64.11 2ekj s VAL 76 Cb -0.09 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2ekj s VAL 76 CO 0.04 -0.59 0.16 -0.76 0.00 0.00 0.00 175.10 173.96 2ekj s LEU 77 N 4.11 4.70 0.04 3.92 1.02 0.69 -2.06 118.68 131.10 2ekj s LEU 77 Ca 0.50 -1.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.26 2ekj s LEU 77 Cb -0.13 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 2ekj s LEU 77 CO 0.22 -0.42 0.18 -0.69 0.02 0.00 0.00 176.35 175.66 2ekj s VAL 78 N 1.37 5.28 -0.15 -1.59 1.01 -0.98 -0.67 120.40 124.66 2ekj s VAL 78 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2ekj s VAL 78 Cb -0.21 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2ekj s VAL 78 CO 0.01 0.20 0.35 -0.94 0.00 0.00 0.00 175.10 174.73 2ekj s SER 79 N -2.29 -0.24 -0.17 3.32 1.04 -1.07 -1.40 113.70 112.89 2ekj s SER 79 Ca 0.31 0.78 -0.26 0.00 0.48 0.00 0.00 55.95 57.26 2ekj s SER 79 Cb -0.13 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2ekj s SER 79 CO 0.24 -0.20 0.88 0.00 0.98 0.00 0.00 173.24 175.13 2ekj s ALA 80 N 1.82 3.53 -0.10 5.32 0.00 -1.26 -1.82 121.76 129.25 2ekj s ALA 80 Ca -0.06 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 2ekj s ALA 80 Cb -0.10 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2ekj s ALA 80 CO -0.11 -0.72 0.46 0.42 0.00 0.00 0.00 175.76 175.82 2ekj s ILE 81 N 2.31 5.16 0.15 0.00 1.09 -0.97 -1.11 121.20 127.84 2ekj s ILE 81 Ca 0.40 0.93 0.08 0.00 -1.10 0.00 0.00 60.65 60.96 2ekj s ILE 81 Cb -0.16 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 2ekj s ILE 81 CO 0.12 0.36 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.84 2ekj s TYR 82 N 0.40 1.70 0.32 3.97 2.02 -0.98 -1.80 117.35 122.98 2ekj s TYR 82 Ca 0.25 -0.49 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 2ekj s TYR 82 Cb -0.15 -0.86 0.94 0.00 -0.40 0.00 0.00 41.96 41.49 2ekj s TYR 82 CO 0.10 0.27 1.61 0.00 -1.57 0.00 0.00 175.55 175.96 2ekj h ALA 83 N 3.35 1.56 0.07 3.71 0.00 -1.98 -0.34 119.26 125.63 2ekj h ALA 83 Ca -0.42 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ekj h ALA 83 Cb 1.20 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2ekj h ALA 83 CO 0.51 -0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.08 2ekj h ALA 84 N 1.91 -0.09 -1.35 0.00 0.00 -1.99 -3.49 119.26 114.25 2ekj h ALA 84 Ca 0.67 -0.29 0.30 0.00 0.00 0.00 0.00 54.91 55.59 2ekj h ALA 84 Cb 1.52 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.18 2ekj h ALA 84 CO -0.76 -0.19 0.86 0.20 0.00 0.00 0.00 179.25 179.36 2ekj s GLY 85 N -3.53 -0.33 0.02 0.00 0.00 -0.14 -5.15 107.32 98.19 2ekj s GLY 85 Ca -0.14 1.31 -0.23 0.00 0.00 0.00 0.00 44.72 45.65 2ekj s GLY 85 CO 0.56 0.39 0.70 1.09 0.00 0.00 0.00 173.10 175.84 2ekj s ARG 86 N -2.32 4.43 1.10 2.90 1.70 -1.26 -2.32 118.95 123.18 2ekj s ARG 86 Ca 0.12 0.94 -0.16 0.00 -0.47 0.00 0.00 55.73 56.16 2ekj s ARG 86 Cb 0.02 -3.36 0.24 0.00 -0.57 0.00 0.00 34.95 31.27 2ekj s ARG 86 CO -0.04 0.30 1.10 -1.54 -1.08 0.00 0.00 175.30 174.04 2ekj s SER 87 N -0.06 1.77 1.16 -2.89 1.04 -0.27 -4.96 113.70 109.50 2ekj s SER 87 Ca 0.36 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.52 2ekj s SER 87 Cb -0.20 -1.35 0.20 0.00 0.10 0.00 0.00 66.02 64.77 2ekj s SER 87 CO 0.21 -3.62 0.50 -1.84 0.98 0.00 0.00 173.24 169.46 2ekj n GLU 88 N -4.46 -2.09 -4.12 4.02 0.28 -1.26 -4.51 120.64 108.49 2ekj n GLU 88 Ca 0.09 -0.59 -0.36 0.00 -0.16 0.00 0.00 57.16 56.14 2ekj n GLU 88 Cb 0.58 -1.93 -0.08 0.00 1.43 0.00 0.00 31.44 31.45 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 -2.31 3.57 -0.26 -1.84 0.00 -1.26 -4.54 121.76 115.13 2ekj s ALA 89 Ca 0.62 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 2ekj s ALA 89 Cb -0.19 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 2ekj s ALA 89 CO 0.66 0.59 0.04 0.14 0.00 0.00 0.00 175.76 177.19 2ekj s VAL 90 N -0.91 3.91 0.48 0.00 -7.23 -0.49 -4.89 120.40 111.27 2ekj s VAL 90 Ca 0.14 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.75 2ekj s VAL 90 Cb -0.12 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 2ekj s VAL 90 CO 0.03 0.27 0.86 -0.94 -0.31 0.00 0.00 175.10 175.01 2ekj s SER 91 N 1.53 6.42 -0.30 4.85 1.04 -1.25 -2.32 113.70 123.68 2ekj s SER 91 Ca 0.05 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 57.56 2ekj s SER 91 Cb -0.16 -2.36 0.14 0.00 0.10 0.00 0.00 66.02 63.75 2ekj s SER 91 CO 0.01 -0.56 0.81 0.00 0.98 0.00 0.00 173.24 174.48 2ekj s ALA 92 N -2.65 -2.34 -0.27 5.32 0.00 -0.87 -4.91 121.76 116.03 2ekj s ALA 92 Ca 0.52 2.22 -0.17 0.00 0.00 0.00 0.00 51.96 54.52 2ekj s ALA 92 Cb -0.10 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2ekj s ALA 92 CO 0.39 -0.90 0.49 0.95 0.00 0.00 0.00 175.76 176.70 2ekj s THR 93 N 2.59 5.08 -0.42 0.00 -4.23 -1.26 -1.19 115.64 116.21 2ekj s THR 93 Ca -0.05 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.25 2ekj s THR 93 Cb -0.09 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.05 2ekj s THR 93 CO -0.18 0.05 0.21 -0.83 -0.54 0.00 0.00 174.62 173.33 2ekj s GLY 94 N 1.59 1.63 0.22 3.99 0.00 -1.25 -4.94 107.32 108.56 2ekj s GLY 94 Ca 0.20 -2.48 -0.32 0.00 0.00 0.00 0.00 44.72 42.12 2ekj s GLY 94 CO 0.10 1.50 1.31 -0.18 0.00 0.00 0.00 173.10 175.83 2ekj n GLN 95 N 3.75 1.72 -0.99 2.90 7.27 -1.26 -4.20 117.38 126.57 2ekj n GLN 95 Ca 0.07 0.61 -0.21 0.00 0.07 0.00 0.00 57.00 57.54 2ekj n GLN 95 Cb 0.36 -2.21 0.16 0.00 2.41 0.00 0.00 30.24 30.96 2ekj n GLN 95 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2ekj n THR 96 N 1.70 0.00 -2.46 1.69 -2.24 -0.51 -4.60 114.28 107.87 2ekj n THR 96 Ca 0.13 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 2ekj n THR 96 Cb 0.29 -1.38 -0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.44 3.30 0.09 6.98 0.00 -1.26 -4.34 121.76 123.08 2ekj s ALA 97 Ca 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.16 2ekj s ALA 97 Cb -0.03 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2ekj s ALA 97 CO 0.37 -0.38 0.25 0.00 0.00 0.00 0.00 175.76 176.00 2ekj h PRO 99 N 2.83 0.00 -0.76 0.00 0.13 -1.98 -3.26 132.00 128.96 2ekj h PRO 99 Ca -0.46 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.89 2ekj h PRO 99 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2ekj h PRO 99 CO 0.74 0.40 0.05 0.45 -0.23 0.00 0.00 178.00 179.41 2ekj n SER 100 N -3.81 -0.06 0.00 1.44 2.88 -1.26 -4.89 113.62 107.92 2ekj n SER 100 Ca -0.01 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2ekj n SER 100 Cb 0.47 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.37 -0.92 3.74 0.46 0.00 -1.23 -4.96 105.19 100.90 2ekj n GLY 101 Ca 0.19 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.63 4.40 0.25 1.61 0.04 -1.26 -5.04 135.00 130.36 2ekj s PRO 102 Ca 0.00 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.16 2ekj s PRO 102 Cb 0.00 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2ekj s PRO 102 CO 0.00 -0.23 -0.11 -1.54 0.04 0.00 0.00 177.00 175.16 2ekj s SER 103 N 0.27 2.77 0.11 6.66 1.04 -1.26 -5.08 113.70 118.21 2ekj s SER 103 Ca 0.56 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2ekj s SER 103 Cb -0.36 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2ekj s SER 103 CO 0.39 -0.23 0.00 -0.24 0.98 0.00 0.00 173.24 174.14 2ekj n SER 104 N -0.50 0.68 0.00 7.02 2.88 -1.26 -5.33 113.62 117.11 2ekj n SER 104 Ca -0.06 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2ekj n SER 104 Cb 0.62 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42