#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj n SER 2 N 0.00 7.02 -3.71 1.61 3.41 -1.26 -4.89 113.62 115.79 2ekj n SER 2 Ca 0.00 -3.79 -0.25 0.00 -0.26 0.00 0.00 58.87 54.57 2ekj n SER 2 Cb 0.00 -0.85 -0.17 0.00 -0.26 0.00 0.00 64.21 62.93 2ekj n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ekj s SER 3 N -2.10 2.15 0.00 4.04 0.15 -1.26 -4.87 113.70 111.81 2ekj s SER 3 Ca 0.59 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2ekj s SER 3 Cb 0.47 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2ekj s SER 3 CO -0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2ekj n GLY 4 N 5.16 0.80 2.13 9.45 0.00 -1.26 -4.90 105.19 116.56 2ekj n GLY 4 Ca -0.07 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2ekj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ekj n SER 5 N 0.00 6.59 -4.33 1.61 7.64 -1.26 -4.99 113.62 118.88 2ekj n SER 5 Ca 0.00 -3.18 -0.43 0.00 1.01 0.00 0.00 58.87 56.27 2ekj n SER 5 Cb 0.00 -1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 2ekj n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ekj n SER 6 N 0.39 -2.36 0.00 6.43 7.64 -1.26 -4.62 113.62 119.84 2ekj n SER 6 Ca 0.39 0.88 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2ekj n SER 6 Cb 0.57 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2ekj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ekj n GLY 7 N 2.22 -0.64 3.56 0.23 0.00 -1.26 -5.13 105.19 104.17 2ekj n GLY 7 Ca 0.12 0.36 -0.54 0.00 0.00 0.00 0.00 46.02 45.97 2ekj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekj n ARG 8 N 0.00 0.77 -4.03 1.61 1.74 -1.26 -4.95 116.66 110.55 2ekj n ARG 8 Ca 0.00 0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 2ekj n ARG 8 Cb 0.00 -1.87 -0.15 0.00 -1.02 0.00 0.00 32.46 29.43 2ekj n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ekj s SER 9 N 0.30 3.97 0.75 0.55 0.15 -1.26 -4.92 113.70 113.24 2ekj s SER 9 Ca 0.86 -0.87 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 2ekj s SER 9 Cb -1.05 -1.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2ekj s SER 9 CO 0.50 -0.09 1.10 -2.16 1.20 0.00 0.00 173.24 173.79 2ekj s PRO 10 N 1.28 2.39 0.00 5.44 0.04 -1.26 -4.70 135.00 138.19 2ekj s PRO 10 Ca 0.00 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2ekj s PRO 10 Cb -0.16 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2ekj s PRO 10 CO -0.07 -1.55 1.44 -1.25 0.04 0.00 0.00 177.00 175.61 2ekj s PRO 11 N -4.70 4.26 0.51 0.56 0.04 -1.26 -4.88 135.00 129.53 2ekj s PRO 11 Ca 0.63 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2ekj s PRO 11 Cb -0.18 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 2ekj s PRO 11 CO 0.52 -0.61 0.08 -1.12 0.04 0.00 0.00 177.00 175.91 2ekj s SER 12 N 2.02 4.23 -1.24 6.66 0.01 -1.25 -4.77 113.70 119.35 2ekj s SER 12 Ca 0.65 -1.56 -0.07 0.00 1.31 0.00 0.00 55.95 56.28 2ekj s SER 12 Cb -0.32 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.38 2ekj s SER 12 CO 0.27 -0.89 0.86 0.59 0.41 0.00 0.00 173.24 174.49 2ekj n ASN 13 N -1.35 -5.74 -4.67 2.44 3.02 -1.26 -1.14 115.26 106.56 2ekj n ASN 13 Ca -0.15 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 53.58 2ekj n ASN 13 Cb 0.66 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 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 -6.27 4.38 -0.31 3.41 1.43 -1.26 -4.44 118.68 115.61 2ekj s LEU 14 Ca 0.43 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 56.06 2ekj s LEU 14 Cb -0.19 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.58 2ekj s LEU 14 CO 0.53 -0.97 -0.00 0.00 0.23 0.00 0.00 176.35 176.14 2ekj s ALA 15 N 3.77 2.63 -0.37 4.21 0.00 -0.72 -4.99 121.76 126.29 2ekj s ALA 15 Ca 0.80 -2.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 2ekj s ALA 15 Cb -0.39 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2ekj s ALA 15 CO 0.35 -1.51 0.81 -0.51 0.00 0.00 0.00 175.76 174.91 2ekj s LEU 16 N 1.05 4.11 -0.14 0.00 1.02 -1.26 -2.49 118.68 120.96 2ekj s LEU 16 Ca 0.04 0.38 -0.01 0.00 0.02 0.00 0.00 54.13 54.56 2ekj s LEU 16 Cb -0.19 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 2ekj s LEU 16 CO -0.08 -0.77 -0.12 0.00 0.02 0.00 0.00 176.35 175.40 2ekj s ALA 17 N 3.18 2.65 -0.33 4.21 0.00 0.13 -4.92 121.76 126.68 2ekj s ALA 17 Ca 0.33 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2ekj s ALA 17 Cb -0.13 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 2ekj s ALA 17 CO 0.18 0.14 0.19 0.45 0.00 0.00 0.00 175.76 176.72 2ekj s SER 18 N 0.53 5.76 -0.12 0.00 0.15 -1.26 -0.40 113.70 118.36 2ekj s SER 18 Ca -0.08 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.14 2ekj s SER 18 Cb -0.16 -2.06 -0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2ekj s SER 18 CO 0.04 -0.23 0.03 -1.84 1.20 0.00 0.00 173.24 172.44 2ekj n GLU 19 N 5.03 2.00 -3.89 5.44 0.28 -1.26 -4.75 120.64 123.49 2ekj n GLU 19 Ca -0.13 -0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.76 2ekj n GLU 19 Cb 0.49 -1.30 -0.12 0.00 1.43 0.00 0.00 31.44 31.94 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 -2.28 0.04 -2.00 3.84 -1.32 -1.24 -5.00 115.64 107.68 2ekj s THR 20 Ca -0.07 -0.37 0.10 0.00 -1.21 0.00 0.00 61.69 60.15 2ekj s THR 20 Cb 0.04 -0.20 0.30 0.00 -1.51 0.00 0.00 72.50 71.12 2ekj s THR 20 CO 0.47 -0.20 1.06 -0.81 -2.21 0.00 0.00 174.62 172.93 2ekj n PRO 21 N 2.37 0.49 0.00 7.08 -0.04 -1.26 -1.70 135.00 141.94 2ekj n PRO 21 Ca -0.17 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 2ekj n PRO 21 Cb 0.58 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.83 0.93 -3.54 3.54 8.00 -1.26 -3.50 116.55 119.89 2ekj n ASP 22 Ca 0.08 -0.97 -0.15 0.00 0.71 0.00 0.00 54.79 54.46 2ekj n ASP 22 Cb 0.04 0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.92 -0.52 -0.09 -2.24 0.01 -0.69 -0.83 113.70 108.43 2ekj s SER 23 Ca 0.05 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 2ekj s SER 23 Cb 0.04 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.82 2ekj s SER 23 CO 0.13 -0.71 -0.03 -0.22 0.41 0.00 0.00 173.24 172.82 2ekj s LEU 24 N -1.81 0.89 0.19 2.44 2.96 -1.11 -3.58 118.68 118.66 2ekj s LEU 24 Ca -0.06 -0.17 -0.28 0.00 -0.22 0.00 0.00 54.13 53.39 2ekj s LEU 24 Cb -0.01 -0.60 -0.08 0.00 0.50 0.00 0.00 46.19 46.00 2ekj s LEU 24 CO 0.01 -0.15 0.87 -1.58 -1.32 0.00 0.00 176.35 174.17 2ekj s GLN 25 N 1.77 4.71 -0.07 1.98 0.74 0.46 -2.51 119.66 126.74 2ekj s GLN 25 Ca 0.03 1.33 -0.03 0.00 0.05 0.00 0.00 55.36 56.75 2ekj s GLN 25 Cb -0.13 -3.28 0.04 0.00 1.10 0.00 0.00 33.01 30.74 2ekj s GLN 25 CO -0.06 0.51 0.14 0.54 -0.55 0.00 0.00 175.29 175.88 2ekj s VAL 26 N -1.04 -0.12 0.37 1.34 0.11 -1.17 0.20 120.40 120.09 2ekj s VAL 26 Ca 0.39 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.74 2ekj s VAL 26 Cb -0.24 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.29 2ekj s VAL 26 CO 0.29 0.10 0.03 -0.94 -3.33 0.00 0.00 175.10 171.25 2ekj s SER 27 N 1.55 3.21 0.22 3.54 1.04 -1.04 -2.41 113.70 119.81 2ekj s SER 27 Ca -0.05 -1.37 -0.23 0.00 0.48 0.00 0.00 55.95 54.78 2ekj s SER 27 Cb -0.12 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.79 2ekj s SER 27 CO -0.06 -0.52 0.86 -1.66 0.98 0.00 0.00 173.24 172.85 2ekj s TRP 28 N -2.97 -0.12 -0.49 5.02 -2.14 -0.90 -1.76 118.94 115.59 2ekj s TRP 28 Ca 0.36 -0.28 -0.18 0.00 2.66 0.00 0.00 56.10 58.66 2ekj s TRP 28 Cb 0.09 0.69 0.06 0.00 -3.10 0.00 0.00 33.47 31.21 2ekj s TRP 28 CO 0.17 -1.05 0.54 0.99 -2.66 0.00 0.00 176.95 174.94 2ekj s THR 29 N -3.37 5.01 0.22 0.66 2.01 -0.29 -4.84 115.64 115.04 2ekj s THR 29 Ca 0.13 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2ekj s THR 29 Cb -0.03 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 2ekj s THR 29 CO 0.05 -0.71 1.29 -2.16 -0.69 0.00 0.00 174.62 172.40 2ekj s PRO 30 N 2.27 4.41 1.24 4.92 0.04 -1.26 -3.90 135.00 142.72 2ekj s PRO 30 Ca 0.11 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 2ekj s PRO 30 Cb -0.21 -3.18 0.31 0.00 0.04 0.00 0.00 34.50 31.46 2ekj s PRO 30 CO 0.10 -0.20 1.10 -0.35 0.04 0.00 0.00 177.00 177.70 2ekj n PRO 31 N 2.26 -3.16 -0.02 0.56 -0.04 -1.26 -5.01 135.00 128.32 2ekj n PRO 31 Ca 0.05 -1.76 -0.20 0.00 -0.04 0.00 0.00 63.50 61.54 2ekj n PRO 31 Cb 0.43 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.25 -9.29 1.53 5.85 -1.96 -3.48 115.31 108.22 2ekj h LEU 32 Ca -0.41 -0.82 -0.56 0.00 0.84 0.00 0.00 57.88 56.93 2ekj h LEU 32 Cb 1.27 -0.08 0.21 0.00 0.37 0.00 0.00 40.66 42.42 2ekj h LEU 32 CO 0.27 1.48 -1.12 0.61 -0.34 0.00 0.00 178.44 179.34 2ekj n GLY 33 N 1.65 -3.11 3.61 3.75 0.00 -1.26 -4.80 105.19 105.03 2ekj n GLY 33 Ca -0.23 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.22 3.58 -0.41 1.61 6.06 -1.26 -4.97 118.95 121.34 2ekj s ARG 34 Ca 0.53 1.15 -0.09 0.00 -2.50 0.00 0.00 55.73 54.82 2ekj s ARG 34 Cb -0.30 -4.05 0.07 0.00 0.06 0.00 0.00 34.95 30.73 2ekj s ARG 34 CO 0.70 -1.55 0.25 0.08 -2.50 0.00 0.00 175.30 172.28 2ekj s VAL 35 N 5.59 4.24 0.04 7.11 1.01 -1.26 -4.64 120.40 132.49 2ekj s VAL 35 Ca 0.66 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 2ekj s VAL 35 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2ekj s VAL 35 CO 0.31 -0.47 1.17 -0.07 0.00 0.00 0.00 175.10 176.04 2ekj h LEU 36 N 8.40 -0.53 -8.26 3.92 3.38 -1.65 -3.41 115.31 117.15 2ekj h LEU 36 Ca -0.23 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2ekj h LEU 36 Cb 1.08 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 2ekj h LEU 36 CO 0.74 -0.15 -0.65 -1.38 0.09 0.00 0.00 178.44 177.09 2ekj s HIS 37 N -3.84 0.59 -0.54 1.13 -3.43 -1.26 -3.70 115.29 104.25 2ekj s HIS 37 Ca -0.05 -1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 53.07 2ekj s HIS 37 Cb 0.02 -0.39 0.14 0.00 -1.43 0.00 0.00 32.58 30.92 2ekj s HIS 37 CO 0.19 -0.43 0.38 0.71 -2.00 0.00 0.00 174.74 173.58 2ekj s TYR 38 N -3.95 3.50 -0.53 0.38 2.02 -1.06 -1.72 117.35 115.98 2ekj s TYR 38 Ca 0.12 -2.34 -0.26 0.00 -0.37 0.00 0.00 57.07 54.22 2ekj s TYR 38 Cb 0.08 -3.34 -0.07 0.00 -0.40 0.00 0.00 41.96 38.23 2ekj s TYR 38 CO -0.07 -0.93 2.33 -0.46 -1.57 0.00 0.00 175.55 174.85 2ekj s TRP 39 N 0.69 1.17 0.10 2.71 -0.00 -0.84 -3.55 118.94 119.20 2ekj s TRP 39 Ca 0.11 1.48 -0.09 0.00 -0.00 0.00 0.00 56.10 57.60 2ekj s TRP 39 Cb -0.22 -3.65 -0.06 0.00 -0.00 0.00 0.00 33.47 29.55 2ekj s TRP 39 CO -0.03 -2.44 0.40 -1.17 -0.00 0.00 0.00 176.95 173.72 2ekj s LEU 40 N 11.91 4.33 -0.27 5.86 0.20 -1.03 -2.60 118.68 137.08 2ekj s LEU 40 Ca 0.93 0.77 -0.00 0.00 0.69 0.00 0.00 54.13 56.51 2ekj s LEU 40 Cb -0.16 -3.07 0.15 0.00 -0.43 0.00 0.00 46.19 42.68 2ekj s LEU 40 CO 0.24 0.14 0.41 0.42 -0.29 0.00 0.00 176.35 177.27 2ekj s THR 41 N -1.46 -0.64 0.26 3.68 -4.23 0.12 -1.67 115.64 111.69 2ekj s THR 41 Ca 0.35 -0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 2ekj s THR 41 Cb -0.13 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 2ekj s THR 41 CO 0.19 -0.19 0.46 -0.72 -0.54 0.00 0.00 174.62 173.82 2ekj s TYR 42 N 2.56 3.48 0.23 3.99 1.13 -1.24 0.19 117.35 127.69 2ekj s TYR 42 Ca 0.12 0.37 -0.18 0.00 -1.41 0.00 0.00 57.07 55.97 2ekj s TYR 42 Cb -0.14 -1.88 0.02 0.00 -1.10 0.00 0.00 41.96 38.86 2ekj s TYR 42 CO -0.23 0.28 0.57 0.00 -2.51 0.00 0.00 175.55 173.66 2ekj s ALA 43 N -2.04 -0.90 -2.00 9.51 0.00 -0.64 -2.88 121.76 122.81 2ekj s ALA 43 Ca 0.39 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.11 2ekj s ALA 43 Cb -0.10 0.90 0.60 0.00 0.00 0.00 0.00 23.12 24.51 2ekj s ALA 43 CO 0.31 -0.87 1.04 -0.35 0.00 0.00 0.00 175.76 175.89 2ekj n PRO 44 N -0.38 0.49 -3.18 0.00 -0.04 -1.26 0.04 135.00 130.67 2ekj n PRO 44 Ca -0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2ekj n PRO 44 Cb 0.62 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.82 -0.90 -3.64 0.55 0.00 -1.26 -4.70 120.51 109.74 2ekj n ALA 45 Ca 0.08 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 2ekj n ALA 45 Cb 0.03 -3.54 -0.07 0.00 0.00 0.00 0.00 19.45 15.88 2ekj n ALA 45 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ekj s SER 46 N -3.28 -0.39 -1.57 0.00 0.01 -1.26 -4.96 113.70 102.25 2ekj s SER 46 Ca 0.34 0.74 -0.10 0.00 1.31 0.00 0.00 55.95 58.24 2ekj s SER 46 Cb -0.15 0.75 -0.05 0.00 0.21 0.00 0.00 66.02 66.79 2ekj s SER 46 CO 0.47 -0.13 2.76 0.61 0.41 0.00 0.00 173.24 177.36 2ekj n GLY 47 N 2.09 4.36 0.70 3.44 0.00 -1.26 -4.02 105.19 110.49 2ekj n GLY 47 Ca -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 3.97 0.99 0.00 0.99 4.77 -1.26 -5.11 117.00 121.36 2ekj n LEU 48 Ca 0.72 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.45 2ekj n LEU 48 Cb 0.27 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2ekj n LEU 48 CO 0.86 0.10 0.14 0.61 -1.33 0.00 0.00 177.39 177.76 2ekj n GLY 49 N 2.80 2.56 3.68 -0.72 0.00 -1.26 -5.13 105.19 107.12 2ekj n GLY 49 Ca 0.00 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -4.39 0.42 -0.02 1.61 0.04 -1.26 -5.00 135.00 126.40 2ekj s PRO 50 Ca 0.39 0.52 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2ekj s PRO 50 Cb -0.03 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2ekj s PRO 50 CO 0.25 -2.74 -0.26 -2.00 0.04 0.00 0.00 177.00 172.29 2ekj s GLU 51 N -4.96 2.14 0.57 4.56 -6.30 -1.26 -4.75 118.70 108.69 2ekj s GLU 51 Ca 0.65 -0.92 0.09 0.00 -2.50 0.00 0.00 54.97 52.30 2ekj s GLU 51 Cb -0.19 -2.04 0.08 0.00 0.00 0.00 0.00 34.13 31.99 2ekj s GLU 51 CO 0.58 0.54 0.77 0.15 0.02 0.00 0.00 175.26 177.31 2ekj s LYS 52 N -0.56 2.32 -0.29 4.30 -0.14 -1.14 -5.05 119.74 119.18 2ekj s LYS 52 Ca 0.09 -1.65 -0.15 0.00 -1.36 0.00 0.00 55.97 52.90 2ekj s LYS 52 Cb -0.10 -2.63 0.11 0.00 -1.68 0.00 0.00 37.83 33.53 2ekj s LYS 52 CO -0.01 -0.83 0.79 -1.54 -0.76 0.00 0.00 175.35 173.01 2ekj s SER 53 N -4.64 -0.82 -0.01 2.83 1.04 -1.26 -3.68 113.70 107.15 2ekj s SER 53 Ca 0.60 1.27 0.05 0.00 0.48 0.00 0.00 55.95 58.35 2ekj s SER 53 Cb -0.06 1.50 -0.01 0.00 0.10 0.00 0.00 66.02 67.55 2ekj s SER 53 CO 0.38 -0.19 -0.17 0.68 0.98 0.00 0.00 173.24 174.91 2ekj s VAL 54 N 1.81 1.34 0.23 5.02 -7.23 -0.67 -4.99 120.40 115.92 2ekj s VAL 54 Ca -0.09 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.14 2ekj s VAL 54 Cb -0.06 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.68 2ekj s VAL 54 CO -0.18 0.36 0.74 -0.55 -0.31 0.00 0.00 175.10 175.16 2ekj s SER 55 N -0.44 7.06 -0.03 4.85 0.15 -1.26 -2.46 113.70 121.57 2ekj s SER 55 Ca 0.06 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.18 2ekj s SER 55 Cb -0.07 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2ekj s SER 55 CO -0.01 0.01 -0.09 -0.69 1.20 0.00 0.00 173.24 173.67 2ekj s VAL 56 N -1.56 0.77 -0.34 4.45 1.01 -1.23 -4.98 120.40 118.52 2ekj s VAL 56 Ca 0.44 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2ekj s VAL 56 Cb -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2ekj s VAL 56 CO 0.21 0.24 1.69 -2.16 0.00 0.00 0.00 175.10 175.08 2ekj s PRO 57 N 0.20 3.43 0.35 2.72 0.04 -1.26 -2.55 135.00 137.92 2ekj s PRO 57 Ca -0.03 1.33 0.28 0.00 0.04 0.00 0.00 61.00 62.61 2ekj s PRO 57 Cb -0.08 -4.14 1.14 0.00 0.04 0.00 0.00 34.50 31.46 2ekj s PRO 57 CO 0.00 -1.74 1.13 0.41 0.04 0.00 0.00 177.00 176.84 2ekj n GLY 58 N 5.29 -0.65 0.33 0.56 0.00 -1.24 0.16 105.19 109.63 2ekj n GLY 58 Ca 0.21 0.53 0.07 0.00 0.00 0.00 0.00 46.02 46.83 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 1.00 0.75 -2.83 4.61 0.00 -1.88 -3.39 119.26 117.52 2ekj h ALA 59 Ca 0.65 0.34 -0.59 0.00 0.00 0.00 0.00 54.91 55.31 2ekj h ALA 59 Cb 2.30 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 20.66 2ekj h ALA 59 CO -0.22 -0.43 -0.54 -0.98 0.00 0.00 0.00 179.25 177.07 2ekj s ARG 60 N -6.18 3.11 -0.37 0.00 1.70 0.12 -5.02 118.95 112.31 2ekj s ARG 60 Ca -0.14 -0.69 0.06 0.00 -0.47 0.00 0.00 55.73 54.49 2ekj s ARG 60 Cb 0.26 -2.81 0.50 0.00 -0.57 0.00 0.00 34.95 32.33 2ekj s ARG 60 CO 0.77 0.54 1.54 -1.13 -1.08 0.00 0.00 175.30 175.94 2ekj n SER 61 N -0.07 3.91 -3.51 -2.89 3.41 -1.26 -4.74 113.62 108.46 2ekj n SER 61 Ca -0.07 -3.77 -0.14 0.00 -0.26 0.00 0.00 58.87 54.62 2ekj n SER 61 Cb 0.53 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.42 -0.54 -0.03 7.33 0.00 -1.26 -2.11 115.29 115.26 2ekj s HIS 62 Ca 0.50 0.75 -0.29 0.00 -3.00 0.00 0.00 55.06 53.03 2ekj s HIS 62 Cb 0.43 0.46 0.07 0.00 -4.00 0.00 0.00 32.58 29.54 2ekj s HIS 62 CO 0.01 -0.60 0.64 0.54 -1.00 0.00 0.00 174.74 174.34 2ekj s VAL 63 N -1.93 0.01 -0.13 -5.38 0.11 -1.01 -5.00 120.40 107.06 2ekj s VAL 63 Ca -0.05 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 2ekj s VAL 63 Cb -0.00 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2ekj s VAL 63 CO 0.01 -0.03 0.13 -0.89 -3.33 0.00 0.00 175.10 170.99 2ekj s THR 64 N -1.47 5.38 -0.56 5.04 2.01 -1.26 -3.06 115.64 121.73 2ekj s THR 64 Ca -0.10 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 2ekj s THR 64 Cb -0.00 -3.36 0.14 0.00 0.01 0.00 0.00 72.50 69.29 2ekj s THR 64 CO 0.07 0.58 0.43 -0.76 -0.69 0.00 0.00 174.62 174.25 2ekj s LEU 65 N -0.73 5.74 1.25 4.42 1.43 -1.05 -4.94 118.68 124.80 2ekj s LEU 65 Ca 0.13 -2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 50.76 2ekj s LEU 65 Cb -0.12 -2.00 0.31 0.00 0.03 0.00 0.00 46.19 44.42 2ekj s LEU 65 CO 0.03 -0.59 1.12 -2.16 0.23 0.00 0.00 176.35 174.97 2ekj s PRO 66 N 0.84 -1.63 -1.21 1.29 0.04 -1.26 -2.74 135.00 130.32 2ekj s PRO 66 Ca 0.10 -0.22 -0.02 0.00 0.04 0.00 0.00 61.00 60.90 2ekj s PRO 66 Cb -0.22 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2ekj s PRO 66 CO -0.03 -3.95 0.88 -0.25 0.04 0.00 0.00 177.00 173.69 2ekj n ASP 67 N -4.90 -2.51 -4.69 6.66 9.92 -0.01 -4.85 116.55 116.18 2ekj n ASP 67 Ca 0.15 -0.72 -0.23 0.00 -0.53 0.00 0.00 54.79 53.46 2ekj n ASP 67 Cb 0.60 -4.70 -0.07 0.00 -0.64 0.00 0.00 41.12 36.31 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 -6.34 3.22 0.00 0.64 1.43 -0.36 -4.98 118.68 112.28 2ekj s LEU 68 Ca 0.08 -0.75 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2ekj s LEU 68 Cb -0.02 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.61 2ekj s LEU 68 CO 0.76 -0.18 0.80 0.00 0.23 0.00 0.00 176.35 177.96 2ekj n GLN 69 N -1.04 0.47 -4.41 1.70 6.02 -1.23 -3.99 117.38 114.90 2ekj n GLN 69 Ca -0.04 -2.85 -0.33 0.00 -0.01 0.00 0.00 57.00 53.77 2ekj n GLN 69 Cb 0.61 -0.32 -0.10 0.00 1.02 0.00 0.00 30.24 31.45 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 -2.77 3.13 -1.25 -1.58 0.00 -1.25 -4.56 121.76 113.48 2ekj s ALA 70 Ca 0.58 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2ekj s ALA 70 Cb -0.04 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2ekj s ALA 70 CO 0.37 0.62 1.08 0.00 0.00 0.00 0.00 175.76 177.83 2ekj n ALA 71 N 1.63 -1.40 -3.32 0.00 0.00 -1.15 -4.99 120.51 111.29 2ekj n ALA 71 Ca -0.16 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 2ekj n ALA 71 Cb 0.53 -4.57 -0.07 0.00 0.00 0.00 0.00 19.45 15.34 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 -3.31 -0.63 1.24 0.00 2.01 -1.26 -4.91 115.64 108.77 2ekj s THR 72 Ca 0.42 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 2ekj s THR 72 Cb -0.19 -0.91 0.27 0.00 0.01 0.00 0.00 72.50 71.68 2ekj s THR 72 CO 0.69 -0.20 0.65 2.29 -0.69 0.00 0.00 174.62 177.37 2ekj n LYS 73 N 5.36 -3.00 -3.48 4.92 0.00 -1.26 -3.90 118.16 116.80 2ekj n LYS 73 Ca -0.01 -0.87 -0.08 0.00 -0.00 0.00 0.00 58.31 57.34 2ekj n LYS 73 Cb 0.50 -1.90 -0.08 0.00 -0.00 0.00 0.00 35.03 33.54 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 -2.24 -0.84 -0.49 5.58 1.51 -1.17 -4.65 117.35 115.05 2ekj s TYR 74 Ca 0.61 1.17 -0.27 0.00 -1.01 0.00 0.00 57.07 57.57 2ekj s TYR 74 Cb -0.16 0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.84 2ekj s TYR 74 CO 0.59 -0.62 1.76 0.50 -1.11 0.00 0.00 175.55 176.67 2ekj s ARG 75 N 2.59 3.03 -0.30 -0.62 3.52 0.11 -3.48 118.95 123.79 2ekj s ARG 75 Ca 0.07 0.92 -0.22 0.00 -0.13 0.00 0.00 55.73 56.37 2ekj s ARG 75 Cb -0.14 -4.26 -0.00 0.00 -1.56 0.00 0.00 34.95 28.98 2ekj s ARG 75 CO -0.15 -2.24 0.73 0.08 -0.81 0.00 0.00 175.30 172.91 2ekj s VAL 76 N 7.70 4.85 -0.32 7.11 1.01 0.48 -1.62 120.40 139.61 2ekj s VAL 76 Ca 0.70 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 63.67 2ekj s VAL 76 Cb -0.16 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2ekj s VAL 76 CO 0.27 -0.20 0.13 -0.76 0.00 0.00 0.00 175.10 174.54 2ekj s LEU 77 N 2.82 4.11 0.14 3.92 1.02 0.13 -2.41 118.68 128.41 2ekj s LEU 77 Ca 0.30 -0.70 0.08 0.00 0.02 0.00 0.00 54.13 53.83 2ekj s LEU 77 Cb -0.14 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 2ekj s LEU 77 CO 0.12 -0.23 -0.11 -0.69 0.02 0.00 0.00 176.35 175.46 2ekj s VAL 78 N 1.55 3.19 -0.23 -1.59 1.01 -1.00 0.13 120.40 123.46 2ekj s VAL 78 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 2ekj s VAL 78 Cb -0.18 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.77 2ekj s VAL 78 CO 0.05 0.02 0.52 -0.44 0.00 0.00 0.00 175.10 175.25 2ekj s SER 79 N -2.44 -0.66 0.02 3.32 0.01 -1.07 -1.86 113.70 111.01 2ekj s SER 79 Ca 0.22 1.21 -0.30 0.00 1.31 0.00 0.00 55.95 58.39 2ekj s SER 79 Cb -0.10 1.43 -0.05 0.00 0.21 0.00 0.00 66.02 67.52 2ekj s SER 79 CO 0.14 -0.22 1.18 0.00 0.41 0.00 0.00 173.24 174.74 2ekj s ALA 80 N 2.18 3.40 -0.23 1.44 0.00 -1.26 -1.99 121.76 125.30 2ekj s ALA 80 Ca -0.06 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 2ekj s ALA 80 Cb -0.10 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2ekj s ALA 80 CO -0.16 -0.52 0.20 0.42 0.00 0.00 0.00 175.76 175.70 2ekj s ILE 81 N 1.44 5.33 0.35 0.00 1.09 -0.70 -0.68 121.20 128.03 2ekj s ILE 81 Ca 0.57 0.27 0.09 0.00 -1.10 0.00 0.00 60.65 60.48 2ekj s ILE 81 Cb -0.27 -3.54 -0.06 0.00 -1.06 0.00 0.00 42.46 37.53 2ekj s ILE 81 CO 0.27 0.33 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.07 2ekj s TYR 82 N 1.08 2.45 0.22 3.97 2.02 -0.86 -1.52 117.35 124.72 2ekj s TYR 82 Ca 0.09 -0.49 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 2ekj s TYR 82 Cb -0.14 -1.44 0.33 0.00 -0.40 0.00 0.00 41.96 40.31 2ekj s TYR 82 CO 0.05 0.54 1.65 0.00 -1.57 0.00 0.00 175.55 176.22 2ekj h ALA 83 N 1.94 0.63 0.09 3.71 0.00 -1.99 -2.30 119.26 121.34 2ekj h ALA 83 Ca -0.42 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ekj h ALA 83 Cb 1.25 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2ekj h ALA 83 CO 0.70 -0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 2ekj h ALA 84 N 1.61 -0.12 -1.34 0.00 0.00 -1.98 -3.49 119.26 113.94 2ekj h ALA 84 Ca 0.34 -0.24 0.34 0.00 0.00 0.00 0.00 54.91 55.35 2ekj h ALA 84 Cb 0.57 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 2ekj h ALA 84 CO -0.57 -0.30 0.87 0.20 0.00 0.00 0.00 179.25 179.44 2ekj s GLY 85 N -3.19 -0.42 0.15 0.00 0.00 -0.87 -5.16 107.32 97.83 2ekj s GLY 85 Ca -0.15 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.23 2ekj s GLY 85 CO 0.61 0.17 0.60 1.09 0.00 0.00 0.00 173.10 175.57 2ekj s ARG 86 N -2.33 4.11 1.00 2.90 1.70 -1.26 -2.02 118.95 123.05 2ekj s ARG 86 Ca 0.14 0.65 -0.15 0.00 -0.47 0.00 0.00 55.73 55.90 2ekj s ARG 86 Cb 0.05 -3.00 0.19 0.00 -0.57 0.00 0.00 34.95 31.63 2ekj s ARG 86 CO -0.05 0.50 1.18 -1.54 -1.08 0.00 0.00 175.30 174.31 2ekj s SER 87 N -1.55 2.77 1.14 -2.89 1.04 0.14 -4.95 113.70 109.39 2ekj s SER 87 Ca 0.37 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 2ekj s SER 87 Cb -0.17 -1.05 0.14 0.00 0.10 0.00 0.00 66.02 65.04 2ekj s SER 87 CO 0.20 -2.99 0.12 -1.84 0.98 0.00 0.00 173.24 169.71 2ekj n GLU 88 N -4.01 -1.83 -4.02 4.02 0.28 -1.26 -4.54 120.64 109.28 2ekj n GLU 88 Ca 0.10 -0.52 -0.35 0.00 -0.16 0.00 0.00 57.16 56.24 2ekj n GLU 88 Cb 0.59 -1.74 -0.13 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.24 3.05 -0.20 -1.84 0.00 -1.26 -4.49 121.76 114.77 2ekj s ALA 89 Ca 0.57 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2ekj s ALA 89 Cb -0.13 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2ekj s ALA 89 CO 0.65 -0.20 0.25 0.14 0.00 0.00 0.00 175.76 176.59 2ekj s VAL 90 N 1.09 5.32 0.30 0.00 -7.23 -0.78 -4.90 120.40 114.20 2ekj s VAL 90 Ca 0.03 0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.59 2ekj s VAL 90 Cb -0.14 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 2ekj s VAL 90 CO 0.02 0.36 0.52 -0.94 -0.31 0.00 0.00 175.10 174.75 2ekj s SER 91 N 0.73 6.36 -0.30 4.85 1.04 -1.26 -2.36 113.70 122.76 2ekj s SER 91 Ca 0.13 0.54 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 2ekj s SER 91 Cb -0.13 -2.07 0.17 0.00 0.10 0.00 0.00 66.02 64.09 2ekj s SER 91 CO 0.04 -0.21 0.80 0.00 0.98 0.00 0.00 173.24 174.84 2ekj s ALA 92 N -2.15 -2.57 -0.01 5.32 0.00 -1.01 -4.91 121.76 116.43 2ekj s ALA 92 Ca 0.41 1.91 -0.18 0.00 0.00 0.00 0.00 51.96 54.10 2ekj s ALA 92 Cb -0.10 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 2ekj s ALA 92 CO 0.33 -1.19 0.51 0.95 0.00 0.00 0.00 175.76 176.36 2ekj s THR 93 N 2.79 4.96 -0.21 0.00 -4.23 -1.26 -0.39 115.64 117.30 2ekj s THR 93 Ca 0.05 1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 2ekj s THR 93 Cb -0.11 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 69.97 2ekj s THR 93 CO -0.18 0.48 0.14 -0.83 -0.54 0.00 0.00 174.62 173.69 2ekj s GLY 94 N -0.49 0.27 0.25 3.99 0.00 -1.23 -4.89 107.32 105.22 2ekj s GLY 94 Ca 0.27 -0.35 -0.31 0.00 0.00 0.00 0.00 44.72 44.33 2ekj s GLY 94 CO 0.15 1.96 1.55 -0.18 0.00 0.00 0.00 173.10 176.59 2ekj n GLN 95 N 5.28 2.42 -1.32 2.90 7.27 -1.26 -3.06 117.38 129.62 2ekj n GLN 95 Ca -0.06 0.87 -0.24 0.00 0.07 0.00 0.00 57.00 57.63 2ekj n GLN 95 Cb 0.47 -2.62 0.18 0.00 2.41 0.00 0.00 30.24 30.69 2ekj n GLN 95 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2ekj n THR 96 N 2.49 0.00 -2.82 1.69 -2.24 -1.25 -4.65 114.28 107.49 2ekj n THR 96 Ca 0.12 -0.66 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 2ekj n THR 96 Cb 0.34 -1.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.04 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 -3.65 3.27 0.24 6.98 0.00 -1.26 -4.38 121.76 122.95 2ekj s ALA 97 Ca 0.60 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 2ekj s ALA 97 Cb -0.03 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2ekj s ALA 97 CO 0.44 0.20 0.62 0.00 0.00 0.00 0.00 175.76 177.02 2ekj h PRO 99 N 2.73 0.77 -3.32 0.00 0.13 -1.97 -3.46 132.00 126.88 2ekj h PRO 99 Ca -0.48 -0.40 -0.15 0.00 -0.87 0.00 0.00 66.00 64.10 2ekj h PRO 99 Cb 1.18 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 2ekj h PRO 99 CO 0.67 1.03 -0.45 -1.54 -0.23 0.00 0.00 178.00 177.48 2ekj s SER 100 N -6.62 -0.11 0.00 1.44 1.04 -1.26 -5.10 113.70 103.09 2ekj s SER 100 Ca -0.12 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2ekj s SER 100 Cb 0.09 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2ekj s SER 100 CO 0.84 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.41 2ekj n GLY 101 N 2.03 4.14 0.20 7.32 0.00 -1.26 -5.02 105.19 112.60 2ekj n GLY 101 Ca -0.18 -0.97 0.15 0.00 0.00 0.00 0.00 46.02 45.01 2ekj n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj h PRO 102 N 0.00 0.00 0.00 1.61 0.13 -2.01 -2.44 132.00 129.28 2ekj h PRO 102 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ekj h PRO 102 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ekj h PRO 102 CO 0.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.64 2ekj n SER 103 N -2.66 0.04 0.00 1.44 3.41 -1.26 -3.56 113.62 111.04 2ekj n SER 103 Ca 0.01 0.50 -0.18 0.00 -0.26 0.00 0.00 58.87 58.95 2ekj n SER 103 Cb 0.26 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.56 2ekj n SER 103 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ekj h SER 104 N 0.00 0.32 0.00 4.04 0.87 -1.84 -3.54 113.55 113.40 2ekj h SER 104 Ca 0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2ekj h SER 104 Cb 0.50 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2ekj h SER 104 CO 0.00 1.22 0.00 0.61 -0.53 0.00 0.00 176.83 178.13