#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 0.62 -3.84 1.61 4.64 -2.10 -3.44 113.55 111.05 2ekj h SER 2 Ca 0.00 -0.19 -0.45 0.00 -0.47 0.00 0.00 61.79 60.68 2ekj h SER 2 Cb 0.00 -0.16 0.16 0.00 -0.31 0.00 0.00 62.40 62.09 2ekj h SER 2 CO 0.00 0.65 0.18 -0.94 -0.87 0.00 0.00 176.83 175.85 2ekj s SER 3 N -5.95 2.46 0.00 4.97 1.04 -1.26 -4.74 113.70 110.21 2ekj s SER 3 Ca -0.13 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2ekj s SER 3 Cb 0.11 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2ekj s SER 3 CO 0.77 -3.23 0.00 0.61 0.98 0.00 0.00 173.24 172.36 2ekj n GLY 4 N -1.05 0.77 0.35 7.32 0.00 -1.26 -5.06 105.19 106.25 2ekj n GLY 4 Ca 0.05 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 2ekj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ekj n SER 5 N -0.20 2.08 -4.86 1.61 3.41 -1.26 -5.07 113.62 109.33 2ekj n SER 5 Ca 0.00 0.03 -0.23 0.00 -0.26 0.00 0.00 58.87 58.41 2ekj n SER 5 Cb 0.07 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2ekj n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ekj s SER 6 N -5.36 4.80 0.00 4.04 0.01 -1.26 -4.96 113.70 110.97 2ekj s SER 6 Ca -0.13 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.17 2ekj s SER 6 Cb 0.04 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2ekj s SER 6 CO 0.20 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2ekj n GLY 7 N -1.56 1.51 3.68 3.44 0.00 -1.26 -5.12 105.19 105.88 2ekj n GLY 7 Ca 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 4.31 -0.14 1.61 0.52 -1.26 -4.61 118.95 119.38 2ekj s ARG 8 Ca 0.00 1.79 -0.04 0.00 -0.52 0.00 0.00 55.73 56.96 2ekj s ARG 8 Cb 0.00 -3.59 0.05 0.00 0.52 0.00 0.00 34.95 31.93 2ekj s ARG 8 CO 0.00 -0.53 0.08 0.45 0.02 0.00 0.00 175.30 175.32 2ekj s SER 9 N 1.72 2.11 0.63 0.23 0.15 -1.26 -4.88 113.70 112.40 2ekj s SER 9 Ca 0.59 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.61 2ekj s SER 9 Cb -0.27 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2ekj s SER 9 CO 0.23 -0.32 1.11 -2.16 1.20 0.00 0.00 173.24 173.30 2ekj s PRO 10 N 2.12 2.94 -0.04 5.44 0.04 -1.26 -4.54 135.00 139.69 2ekj s PRO 10 Ca 0.02 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2ekj s PRO 10 Cb -0.15 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2ekj s PRO 10 CO -0.08 -1.15 1.48 -1.25 0.04 0.00 0.00 177.00 176.04 2ekj s PRO 11 N -3.90 4.23 0.54 0.56 0.04 -1.26 -4.81 135.00 130.40 2ekj s PRO 11 Ca 0.68 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.81 2ekj s PRO 11 Cb -0.21 -3.74 0.05 0.00 0.04 0.00 0.00 34.50 30.64 2ekj s PRO 11 CO 0.38 -0.70 0.51 -1.12 0.04 0.00 0.00 177.00 176.11 2ekj s SER 12 N 2.41 4.78 -1.35 6.66 0.01 -1.22 -4.66 113.70 120.33 2ekj s SER 12 Ca 0.66 -1.11 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 2ekj s SER 12 Cb -0.31 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.25 2ekj s SER 12 CO 0.26 -1.15 0.63 0.59 0.41 0.00 0.00 173.24 173.98 2ekj n ASN 13 N -1.89 -5.67 -4.73 2.44 3.02 -1.26 -0.88 115.26 106.30 2ekj n ASN 13 Ca 0.03 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 2ekj n ASN 13 Cb 0.63 -4.47 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.74 4.15 -3.57 3.41 4.77 -1.26 -4.45 117.00 116.30 2ekj n LEU 14 Ca -0.08 1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 56.75 2ekj n LEU 14 Cb 0.60 -1.58 -0.16 0.00 -2.33 0.00 0.00 43.42 39.95 2ekj n LEU 14 CO 0.44 0.18 -0.29 0.00 -1.33 0.00 0.00 177.39 176.40 2ekj s ALA 15 N 0.76 0.20 -0.27 -1.18 0.00 -1.03 -5.03 121.76 115.21 2ekj s ALA 15 Ca 0.71 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 2ekj s ALA 15 Cb -0.50 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2ekj s ALA 15 CO 0.38 -1.19 0.61 -0.51 0.00 0.00 0.00 175.76 175.05 2ekj s LEU 16 N 2.20 4.08 -0.18 0.00 1.02 -1.26 -2.43 118.68 122.11 2ekj s LEU 16 Ca 0.04 0.61 -0.02 0.00 0.02 0.00 0.00 54.13 54.78 2ekj s LEU 16 Cb -0.16 -2.81 -0.01 0.00 0.02 0.00 0.00 46.19 43.23 2ekj s LEU 16 CO -0.10 -0.38 -0.10 0.00 0.02 0.00 0.00 176.35 175.78 2ekj s ALA 17 N 2.50 2.66 -0.36 4.21 0.00 0.12 -4.93 121.76 125.95 2ekj s ALA 17 Ca 0.25 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2ekj s ALA 17 Cb -0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 2ekj s ALA 17 CO 0.09 -0.15 0.25 0.45 0.00 0.00 0.00 175.76 176.40 2ekj s SER 18 N 1.01 6.00 -0.14 0.00 0.15 -1.26 0.87 113.70 120.32 2ekj s SER 18 Ca -0.01 -0.63 0.11 0.00 0.70 0.00 0.00 55.95 56.12 2ekj s SER 18 Cb -0.15 -2.12 -0.16 0.00 -1.71 0.00 0.00 66.02 61.88 2ekj s SER 18 CO -0.01 -0.31 0.03 -0.62 1.20 0.00 0.00 173.24 173.53 2ekj n GLU 19 N 5.10 1.71 -3.85 5.44 -0.58 -1.26 -4.76 120.64 122.44 2ekj n GLU 19 Ca -0.12 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.50 2ekj n GLU 19 Cb 0.48 -1.34 -0.10 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.33 0.06 -2.00 2.62 -1.32 -1.22 -4.99 115.64 106.46 2ekj s THR 20 Ca -0.08 -0.51 0.11 0.00 -1.21 0.00 0.00 61.69 59.99 2ekj s THR 20 Cb 0.04 -0.39 0.30 0.00 -1.51 0.00 0.00 72.50 70.94 2ekj s THR 20 CO 0.54 -0.28 1.07 -0.81 -2.21 0.00 0.00 174.62 172.92 2ekj n PRO 21 N 1.83 0.49 0.00 7.08 -0.04 -1.26 -1.76 135.00 141.33 2ekj n PRO 21 Ca -0.20 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.29 2ekj n PRO 21 Cb 0.56 -1.34 -0.04 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 -0.84 0.39 -3.64 3.54 8.00 -1.26 -3.45 116.55 119.29 2ekj n ASP 22 Ca 0.08 -0.69 -0.14 0.00 0.71 0.00 0.00 54.79 54.75 2ekj n ASP 22 Cb 0.04 0.97 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 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 -1.65 -0.36 -0.08 -2.24 0.01 -0.72 -0.35 113.70 108.31 2ekj s SER 23 Ca 0.03 0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 2ekj s SER 23 Cb 0.06 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.75 2ekj s SER 23 CO 0.29 -0.64 -0.03 -0.22 0.41 0.00 0.00 173.24 173.05 2ekj s LEU 24 N -1.81 0.88 0.36 2.44 2.96 -1.16 -3.45 118.68 118.90 2ekj s LEU 24 Ca -0.07 -0.16 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 2ekj s LEU 24 Cb -0.01 -0.57 -0.09 0.00 0.50 0.00 0.00 46.19 46.02 2ekj s LEU 24 CO 0.00 -0.15 1.03 -1.58 -1.32 0.00 0.00 176.35 174.33 2ekj s GLN 25 N 1.72 4.33 -0.14 1.98 2.00 0.25 -2.97 119.66 126.83 2ekj s GLN 25 Ca 0.02 1.51 -0.05 0.00 -2.00 0.00 0.00 55.36 54.84 2ekj s GLN 25 Cb -0.13 -2.70 0.07 0.00 0.80 0.00 0.00 33.01 31.05 2ekj s GLN 25 CO -0.05 0.01 0.30 0.54 -0.50 0.00 0.00 175.29 175.58 2ekj s VAL 26 N -1.58 -0.40 0.40 1.34 0.11 -1.11 0.14 120.40 119.30 2ekj s VAL 26 Ca 0.54 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.89 2ekj s VAL 26 Cb -0.23 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 2ekj s VAL 26 CO 0.29 0.10 0.02 -0.94 -3.33 0.00 0.00 175.10 171.24 2ekj s SER 27 N 2.29 3.60 0.01 3.54 1.04 -1.02 -2.17 113.70 120.99 2ekj s SER 27 Ca -0.01 -1.40 -0.29 0.00 0.48 0.00 0.00 55.95 54.72 2ekj s SER 27 Cb -0.12 -0.24 0.11 0.00 0.10 0.00 0.00 66.02 65.87 2ekj s SER 27 CO -0.09 -0.53 1.17 -1.66 0.98 0.00 0.00 173.24 173.11 2ekj s TRP 28 N -2.84 -0.09 -0.35 5.02 -2.14 -1.14 -2.47 118.94 114.93 2ekj s TRP 28 Ca 0.32 -0.06 -0.16 0.00 2.66 0.00 0.00 56.10 58.86 2ekj s TRP 28 Cb 0.09 0.57 -0.01 0.00 -3.10 0.00 0.00 33.47 31.02 2ekj s TRP 28 CO 0.16 -0.43 0.40 0.99 -2.66 0.00 0.00 176.95 175.40 2ekj s THR 29 N -2.69 5.13 0.36 0.66 2.01 -0.06 -4.78 115.64 116.27 2ekj s THR 29 Ca 0.13 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 2ekj s THR 29 Cb 0.02 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 2ekj s THR 29 CO -0.03 -0.15 1.21 -2.16 -0.69 0.00 0.00 174.62 172.80 2ekj s PRO 30 N 2.09 4.25 0.50 4.92 0.04 -1.26 -3.39 135.00 142.15 2ekj s PRO 30 Ca 0.13 1.97 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 2ekj s PRO 30 Cb -0.16 -2.90 0.12 0.00 0.04 0.00 0.00 34.50 31.60 2ekj s PRO 30 CO 0.12 -0.19 0.44 -0.35 0.04 0.00 0.00 177.00 177.06 2ekj n PRO 31 N 0.51 -1.88 -0.08 0.56 -0.04 -1.26 -5.02 135.00 127.79 2ekj n PRO 31 Ca 0.02 -0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 62.56 2ekj n PRO 31 Cb 0.44 -0.66 -0.12 0.00 -0.04 0.00 0.00 33.50 33.12 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 2.56 -4.49 1.53 7.94 -1.26 -4.97 117.00 118.31 2ekj n LEU 32 Ca 0.06 0.13 -0.39 0.00 -1.11 0.00 0.00 56.01 54.70 2ekj n LEU 32 Cb 0.24 -0.98 0.03 0.00 0.53 0.00 0.00 43.42 43.24 2ekj n LEU 32 CO 0.16 0.77 0.16 0.61 -1.11 0.00 0.00 177.39 177.98 2ekj n GLY 33 N 1.91 -1.26 3.55 -3.96 0.00 -1.26 -4.76 105.19 99.41 2ekj n GLY 33 Ca -0.40 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.12 2.27 -0.38 1.61 3.00 -1.26 -4.93 118.95 117.15 2ekj s ARG 34 Ca 0.69 0.72 -0.16 0.00 -1.00 0.00 0.00 55.73 55.98 2ekj s ARG 34 Cb -0.46 -4.62 0.00 0.00 0.00 0.00 0.00 34.95 29.87 2ekj s ARG 34 CO 0.54 -3.29 0.38 0.54 0.00 0.00 0.00 175.30 173.46 2ekj s VAL 35 N 11.21 5.15 0.01 7.11 0.11 -1.26 -4.59 120.40 138.14 2ekj s VAL 35 Ca 0.82 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 59.65 2ekj s VAL 35 Cb -0.13 -3.91 -0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2ekj s VAL 35 CO 0.17 -0.24 1.04 -0.07 -3.33 0.00 0.00 175.10 172.67 2ekj h LEU 36 N 8.84 -0.11 -8.95 2.54 3.38 -1.81 -3.42 115.31 115.78 2ekj h LEU 36 Ca -0.28 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.29 2ekj h LEU 36 Cb 1.13 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 2ekj h LEU 36 CO 0.73 -0.04 -0.55 -1.38 0.09 0.00 0.00 178.44 177.29 2ekj s HIS 37 N -3.19 1.59 -0.51 1.13 -3.43 -1.26 -3.31 115.29 106.31 2ekj s HIS 37 Ca -0.01 -1.40 0.01 0.00 -0.80 0.00 0.00 55.06 52.86 2ekj s HIS 37 Cb 0.00 -0.83 0.13 0.00 -1.43 0.00 0.00 32.58 30.46 2ekj s HIS 37 CO 0.04 -0.56 0.28 0.71 -2.00 0.00 0.00 174.74 173.21 2ekj s TYR 38 N -3.62 3.42 -0.31 0.38 2.02 -0.22 -2.10 117.35 116.93 2ekj s TYR 38 Ca 0.36 -2.87 -0.28 0.00 -0.37 0.00 0.00 57.07 53.91 2ekj s TYR 38 Cb 0.05 -3.03 -0.05 0.00 -0.40 0.00 0.00 41.96 38.53 2ekj s TYR 38 CO 0.18 -0.85 2.16 -0.46 -1.57 0.00 0.00 175.55 175.02 2ekj s TRP 39 N 0.21 1.29 0.25 2.71 -0.00 -0.94 -3.20 118.94 119.25 2ekj s TRP 39 Ca 0.15 0.76 -0.01 0.00 -0.00 0.00 0.00 56.10 57.00 2ekj s TRP 39 Cb -0.22 -3.91 -0.04 0.00 -0.00 0.00 0.00 33.47 29.30 2ekj s TRP 39 CO -0.03 -3.51 0.44 -1.17 -0.00 0.00 0.00 176.95 172.68 2ekj s LEU 40 N 8.81 4.17 -0.30 5.86 2.96 -0.51 -2.09 118.68 137.59 2ekj s LEU 40 Ca 0.95 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 55.26 2ekj s LEU 40 Cb -0.27 -3.23 0.19 0.00 0.50 0.00 0.00 46.19 43.38 2ekj s LEU 40 CO 0.33 -0.12 0.75 0.42 -1.32 0.00 0.00 176.35 176.41 2ekj s THR 41 N -2.00 -0.76 0.35 3.68 -4.23 0.30 -2.23 115.64 110.75 2ekj s THR 41 Ca 0.39 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2ekj s THR 41 Cb -0.10 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 2ekj s THR 41 CO 0.31 0.00 0.47 -0.72 -0.54 0.00 0.00 174.62 174.14 2ekj s TYR 42 N 2.88 3.04 0.27 3.99 1.13 -1.21 0.37 117.35 127.82 2ekj s TYR 42 Ca 0.14 -0.26 -0.21 0.00 -1.41 0.00 0.00 57.07 55.33 2ekj s TYR 42 Cb -0.10 -2.05 0.02 0.00 -1.10 0.00 0.00 41.96 38.73 2ekj s TYR 42 CO -0.21 -0.07 0.72 0.00 -2.51 0.00 0.00 175.55 173.48 2ekj s ALA 43 N -2.22 -1.25 -2.00 9.51 0.00 -0.69 -2.08 121.76 123.03 2ekj s ALA 43 Ca 0.47 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.26 2ekj s ALA 43 Cb -0.09 0.85 0.54 0.00 0.00 0.00 0.00 23.12 24.42 2ekj s ALA 43 CO 0.31 -1.02 0.98 -0.35 0.00 0.00 0.00 175.76 175.68 2ekj n PRO 44 N -0.46 0.49 -2.29 0.00 -0.04 -1.26 -0.41 135.00 131.03 2ekj n PRO 44 Ca -0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.23 2ekj n PRO 44 Cb 0.59 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.79 -0.53 -0.10 0.55 0.00 -1.26 -4.76 120.51 113.63 2ekj n ALA 45 Ca 0.07 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 2ekj n ALA 45 Cb 0.03 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.40 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 -1.51 1.82 0.00 0.00 7.64 -1.26 -4.96 113.62 115.34 2ekj n SER 46 Ca -0.22 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2ekj n SER 46 Cb 0.66 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.07 2.97 0.10 0.23 0.00 -1.26 -4.82 105.19 104.48 2ekj n GLY 47 Ca -0.37 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 0.30-10.62 0.99 -0.00 -2.01 -3.46 115.31 100.52 2ekj h LEU 48 Ca 0.00 -0.31 -0.47 0.00 -0.00 0.00 0.00 57.88 57.10 2ekj h LEU 48 Cb 0.00 -0.10 0.10 0.00 -0.00 0.00 0.00 40.66 40.67 2ekj h LEU 48 CO 0.00 1.23 0.40 -0.83 -0.00 0.00 0.00 178.44 179.24 2ekj s GLY 49 N -4.65 1.59 1.05 0.17 0.00 -1.26 -5.06 107.32 99.16 2ekj s GLY 49 Ca -0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.91 2ekj s GLY 49 CO 0.86 -0.15 1.10 2.56 0.00 0.00 0.00 173.10 177.46 2ekj s PRO 50 N -5.57 -0.00 -0.03 2.90 0.04 -1.26 -4.96 135.00 126.12 2ekj s PRO 50 Ca 0.62 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 2ekj s PRO 50 Cb -0.11 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2ekj s PRO 50 CO 0.49 -2.99 0.03 -1.83 0.04 0.00 0.00 177.00 172.74 2ekj s GLU 51 N -5.05 0.02 0.60 4.56 -1.05 -1.26 -4.47 118.70 112.05 2ekj s GLU 51 Ca 0.67 0.21 -0.10 0.00 -0.15 0.00 0.00 54.97 55.60 2ekj s GLU 51 Cb -0.17 -0.37 0.14 0.00 -0.44 0.00 0.00 34.13 33.29 2ekj s GLU 51 CO 0.57 -0.20 0.76 1.63 0.95 0.00 0.00 175.26 178.97 2ekj n LYS 52 N 4.46 -0.98 -3.61 -4.83 4.76 -0.88 -4.93 118.16 112.15 2ekj n LYS 52 Ca -0.21 -1.19 -0.14 0.00 -2.87 0.00 0.00 58.31 53.90 2ekj n LYS 52 Cb 0.50 -0.83 -0.07 0.00 -1.84 0.00 0.00 35.03 32.79 2ekj n LYS 52 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ekj s SER 53 N -3.78 -0.69 0.00 4.39 1.04 -1.26 -3.34 113.70 110.06 2ekj s SER 53 Ca 0.44 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2ekj s SER 53 Cb -0.02 1.22 -0.00 0.00 0.10 0.00 0.00 66.02 67.32 2ekj s SER 53 CO 0.31 -0.29 -0.01 0.68 0.98 0.00 0.00 173.24 174.91 2ekj s VAL 54 N 0.08 0.03 0.17 5.02 -7.23 -0.95 -4.96 120.40 112.57 2ekj s VAL 54 Ca -0.01 -0.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.79 2ekj s VAL 54 Cb -0.04 -0.07 -0.07 0.00 0.56 0.00 0.00 36.38 36.75 2ekj s VAL 54 CO 0.01 -0.10 0.63 -0.55 -0.31 0.00 0.00 175.10 174.78 2ekj s SER 55 N -0.31 6.96 -0.03 4.85 0.15 -1.26 -1.42 113.70 122.63 2ekj s SER 55 Ca -0.03 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.88 2ekj s SER 55 Cb -0.02 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2ekj s SER 55 CO -0.00 0.09 -0.04 -0.69 1.20 0.00 0.00 173.24 173.80 2ekj s VAL 56 N -1.45 0.48 0.11 4.45 1.01 -1.19 -4.96 120.40 118.83 2ekj s VAL 56 Ca 0.39 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 2ekj s VAL 56 Cb -0.16 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 2ekj s VAL 56 CO 0.20 0.20 1.37 -2.16 0.00 0.00 0.00 175.10 174.70 2ekj s PRO 57 N 0.74 4.33 0.49 2.72 0.04 -1.26 -1.06 135.00 141.00 2ekj s PRO 57 Ca -0.09 2.04 0.32 0.00 0.04 0.00 0.00 61.00 63.30 2ekj s PRO 57 Cb -0.12 -3.27 1.42 0.00 0.04 0.00 0.00 34.50 32.57 2ekj s PRO 57 CO -0.00 -0.42 1.75 0.78 0.04 0.00 0.00 177.00 179.15 2ekj h GLY 58 N 6.83 0.54 -0.51 0.56 0.00 -1.81 -0.13 103.07 108.56 2ekj h GLY 58 Ca -0.42 -0.08 0.23 0.00 0.00 0.00 0.00 47.33 47.06 2ekj h GLY 58 CO 0.86 -0.10 0.16 0.00 0.00 0.00 0.00 176.54 177.46 2ekj h ALA 59 N 1.46 1.16 -3.09 3.60 0.00 -1.90 -3.39 119.26 117.10 2ekj h ALA 59 Ca 0.64 0.24 -0.64 0.00 0.00 0.00 0.00 54.91 55.15 2ekj h ALA 59 Cb 2.21 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 20.29 2ekj h ALA 59 CO -0.15 -0.48 -0.57 -0.98 0.00 0.00 0.00 179.25 177.07 2ekj s ARG 60 N -5.98 3.06 -0.16 0.00 1.70 -0.06 -5.01 118.95 112.51 2ekj s ARG 60 Ca -0.12 -0.56 0.16 0.00 -0.47 0.00 0.00 55.73 54.73 2ekj s ARG 60 Cb 0.26 -2.84 0.58 0.00 -0.57 0.00 0.00 34.95 32.38 2ekj s ARG 60 CO 0.77 0.60 1.49 -1.13 -1.08 0.00 0.00 175.30 175.95 2ekj n SER 61 N 0.68 4.23 -4.12 -2.89 3.41 -1.26 -4.72 113.62 108.95 2ekj n SER 61 Ca -0.09 -2.79 -0.11 0.00 -0.26 0.00 0.00 58.87 55.62 2ekj n SER 61 Cb 0.52 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2ekj s HIS 62 N -2.44 0.85 -0.02 7.33 0.00 -1.26 -2.89 115.29 116.86 2ekj s HIS 62 Ca 0.43 -1.12 -0.29 0.00 -3.00 0.00 0.00 55.06 51.08 2ekj s HIS 62 Cb 0.32 -0.27 0.10 0.00 -4.00 0.00 0.00 32.58 28.74 2ekj s HIS 62 CO 0.13 -0.78 0.86 0.54 -1.00 0.00 0.00 174.74 174.49 2ekj s VAL 63 N -4.10 0.00 -0.10 -5.38 0.11 -0.92 -4.97 120.40 105.04 2ekj s VAL 63 Ca 0.33 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.39 2ekj s VAL 63 Cb 0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2ekj s VAL 63 CO 0.11 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.84 2ekj s THR 64 N -2.64 2.93 -0.60 5.04 2.01 -1.26 -2.76 115.64 118.36 2ekj s THR 64 Ca 0.02 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2ekj s THR 64 Cb -0.01 -2.19 0.15 0.00 0.01 0.00 0.00 72.50 70.47 2ekj s THR 64 CO -0.06 0.55 0.52 -0.76 -0.69 0.00 0.00 174.62 174.19 2ekj s LEU 65 N -0.06 6.12 0.00 4.42 1.43 -1.16 -4.97 118.68 124.47 2ekj s LEU 65 Ca -0.03 -2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 50.79 2ekj s LEU 65 Cb -0.14 -2.12 0.18 0.00 0.03 0.00 0.00 46.19 44.13 2ekj s LEU 65 CO 0.04 -0.70 0.63 -0.81 0.23 0.00 0.00 176.35 175.75 2ekj n PRO 66 N 4.67 -2.27 -3.95 1.29 -0.04 -1.26 -2.99 135.00 130.44 2ekj n PRO 66 Ca -0.03 -1.01 -0.30 0.00 -0.04 0.00 0.00 63.50 62.12 2ekj n PRO 66 Cb 0.42 -0.95 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 2ekj n PRO 66 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ekj n ASP 67 N -4.09 -1.72 -4.81 3.54 8.00 -0.51 -4.84 116.55 112.12 2ekj n ASP 67 Ca 0.09 -1.08 -0.22 0.00 0.71 0.00 0.00 54.79 54.29 2ekj n ASP 67 Cb 0.34 -2.78 -0.05 0.00 -0.02 0.00 0.00 41.12 38.62 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 -6.97 3.48 0.00 0.64 1.43 0.53 -4.99 118.68 112.80 2ekj s LEU 68 Ca 0.17 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2ekj s LEU 68 Cb -0.07 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2ekj s LEU 68 CO 0.91 -0.34 0.49 0.00 0.23 0.00 0.00 176.35 177.64 2ekj n GLN 69 N -1.30 0.46 -4.25 1.70 1.13 -1.22 -4.00 117.38 109.89 2ekj n GLN 69 Ca -0.02 -1.54 -0.28 0.00 -1.94 0.00 0.00 57.00 53.22 2ekj n GLN 69 Cb 0.60 -0.26 -0.09 0.00 0.11 0.00 0.00 30.24 30.60 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 -2.73 3.01 -1.55 -1.58 0.00 -1.24 -4.41 121.76 113.26 2ekj s ALA 70 Ca 0.34 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2ekj s ALA 70 Cb -0.02 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.31 2ekj s ALA 70 CO 0.22 0.53 0.43 0.00 0.00 0.00 0.00 175.76 176.95 2ekj n ALA 71 N 0.23 -1.76 -3.29 0.00 0.00 -1.20 -4.87 120.51 109.63 2ekj n ALA 71 Ca -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 2ekj n ALA 71 Cb 0.54 -1.93 -0.05 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 -3.83 -0.71 1.02 0.00 2.01 -1.26 -4.87 115.64 108.00 2ekj s THR 72 Ca 0.25 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 2ekj s THR 72 Cb -0.14 -0.92 0.17 0.00 0.01 0.00 0.00 72.50 71.62 2ekj s THR 72 CO 0.93 -0.15 0.85 2.29 -0.69 0.00 0.00 174.62 177.86 2ekj n LYS 73 N 5.38 -1.16 -3.61 4.92 0.00 -1.26 -3.56 118.16 118.86 2ekj n LYS 73 Ca -0.01 -0.29 -0.26 0.00 -0.00 0.00 0.00 58.31 57.75 2ekj n LYS 73 Cb 0.50 -2.15 -0.17 0.00 -0.00 0.00 0.00 35.03 33.22 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 -2.48 0.17 -0.55 5.58 1.51 -1.25 -4.54 117.35 115.80 2ekj s TYR 74 Ca 0.64 -0.28 -0.26 0.00 -1.01 0.00 0.00 57.07 56.16 2ekj s TYR 74 Cb -0.22 -0.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.88 2ekj s TYR 74 CO 0.63 -0.50 2.36 0.50 -1.11 0.00 0.00 175.55 177.42 2ekj s ARG 75 N 2.15 2.07 -0.31 -0.62 3.52 0.45 -4.00 118.95 122.21 2ekj s ARG 75 Ca 0.02 1.18 -0.24 0.00 -0.13 0.00 0.00 55.73 56.56 2ekj s ARG 75 Cb -0.16 -4.61 0.00 0.00 -1.56 0.00 0.00 34.95 28.63 2ekj s ARG 75 CO -0.09 -3.41 0.81 0.08 -0.81 0.00 0.00 175.30 171.88 2ekj s VAL 76 N 12.32 4.77 -0.30 7.11 1.01 0.67 -1.71 120.40 144.26 2ekj s VAL 76 Ca 0.94 1.23 -0.05 0.00 0.00 0.00 0.00 61.98 64.09 2ekj s VAL 76 Cb -0.16 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2ekj s VAL 76 CO 0.22 -0.27 0.06 -0.76 0.00 0.00 0.00 175.10 174.35 2ekj s LEU 77 N 3.02 3.90 -0.03 3.92 1.02 0.16 -2.18 118.68 128.48 2ekj s LEU 77 Ca 0.33 -0.91 0.04 0.00 0.02 0.00 0.00 54.13 53.61 2ekj s LEU 77 Cb -0.14 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 2ekj s LEU 77 CO 0.13 -0.23 -0.14 -0.69 0.02 0.00 0.00 176.35 175.44 2ekj s VAL 78 N 1.42 3.08 -0.01 -1.59 1.01 -1.09 -0.54 120.40 122.67 2ekj s VAL 78 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2ekj s VAL 78 Cb -0.18 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2ekj s VAL 78 CO 0.01 0.54 0.00 -0.44 0.00 0.00 0.00 175.10 175.22 2ekj s SER 79 N -0.88 0.17 -0.24 3.32 0.01 -0.89 -2.22 113.70 112.98 2ekj s SER 79 Ca 0.12 -0.00 -0.27 0.00 1.31 0.00 0.00 55.95 57.11 2ekj s SER 79 Cb -0.11 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2ekj s SER 79 CO 0.02 -0.05 0.96 0.00 0.41 0.00 0.00 173.24 174.58 2ekj s ALA 80 N 0.49 3.66 0.23 1.44 0.00 -1.26 -2.21 121.76 124.12 2ekj s ALA 80 Ca -0.04 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 2ekj s ALA 80 Cb -0.07 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 2ekj s ALA 80 CO -0.01 -1.02 0.66 0.42 0.00 0.00 0.00 175.76 175.80 2ekj s ILE 81 N 3.08 4.73 0.09 0.00 -1.09 -0.89 0.15 121.20 127.28 2ekj s ILE 81 Ca 0.40 0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 59.70 2ekj s ILE 81 Cb -0.15 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2ekj s ILE 81 CO 0.07 0.06 0.15 -0.31 -1.23 0.00 0.00 174.94 173.68 2ekj s TYR 82 N -1.69 0.28 0.23 3.97 2.02 0.63 -2.26 117.35 120.54 2ekj s TYR 82 Ca 0.46 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 2ekj s TYR 82 Cb -0.13 -0.15 0.33 0.00 -0.40 0.00 0.00 41.96 41.61 2ekj s TYR 82 CO 0.19 -0.53 1.62 0.00 -1.57 0.00 0.00 175.55 175.26 2ekj h ALA 83 N 2.82 0.55 0.11 3.71 0.00 -1.99 -2.11 119.26 122.35 2ekj h ALA 83 Ca -0.34 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ekj h ALA 83 Cb 1.19 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2ekj h ALA 83 CO 0.58 -0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.35 2ekj h ALA 84 N 1.72 -0.15 -3.00 0.00 0.00 -1.97 -3.49 119.26 112.36 2ekj h ALA 84 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ekj h ALA 84 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ekj h ALA 84 CO -0.72 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 178.64 2ekj n GLY 85 N 0.44 2.44 3.10 0.00 0.00 -0.79 -5.16 105.19 105.22 2ekj n GLY 85 Ca -0.08 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 1.00 2.10 1.13 1.61 1.70 -1.26 0.23 118.95 125.46 2ekj s ARG 86 Ca 0.00 -0.59 -0.13 0.00 -0.47 0.00 0.00 55.73 54.54 2ekj s ARG 86 Cb 0.00 -1.69 0.23 0.00 -0.57 0.00 0.00 34.95 32.92 2ekj s ARG 86 CO 0.00 0.12 0.83 -1.13 -1.08 0.00 0.00 175.30 174.04 2ekj n SER 87 N 3.58 -1.63 -3.73 -2.89 3.41 0.12 -4.91 113.62 107.57 2ekj n SER 87 Ca -0.21 -0.07 -0.24 0.00 -0.26 0.00 0.00 58.87 58.09 2ekj n SER 87 Cb 0.52 -1.23 0.18 0.00 -0.26 0.00 0.00 64.21 63.42 2ekj n SER 87 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ekj n GLU 88 N -4.27 -2.55 -4.84 4.33 0.28 -1.26 -4.31 120.64 108.01 2ekj n GLU 88 Ca 0.04 -0.75 -0.33 0.00 -0.16 0.00 0.00 57.16 55.96 2ekj n GLU 88 Cb 0.55 -1.62 -0.15 0.00 1.43 0.00 0.00 31.44 31.66 2ekj n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ekj s ALA 89 N -2.13 2.57 -0.23 -1.84 0.00 -1.26 -4.37 121.76 114.50 2ekj s ALA 89 Ca 0.47 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2ekj s ALA 89 Cb -0.09 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2ekj s ALA 89 CO 0.46 0.28 0.12 0.14 0.00 0.00 0.00 175.76 176.76 2ekj s VAL 90 N 0.27 4.98 0.30 0.00 -7.23 -0.94 -4.90 120.40 112.86 2ekj s VAL 90 Ca -0.10 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.04 2ekj s VAL 90 Cb -0.16 -3.31 -0.06 0.00 0.56 0.00 0.00 36.38 33.42 2ekj s VAL 90 CO 0.06 0.37 0.59 -0.94 -0.31 0.00 0.00 175.10 174.87 2ekj s SER 91 N 1.04 6.49 -0.30 4.85 1.04 -1.26 -2.69 113.70 122.88 2ekj s SER 91 Ca 0.06 0.83 -0.12 0.00 0.48 0.00 0.00 55.95 57.20 2ekj s SER 91 Cb -0.14 -2.19 0.13 0.00 0.10 0.00 0.00 66.02 63.92 2ekj s SER 91 CO 0.04 -0.21 0.72 0.00 0.98 0.00 0.00 173.24 174.77 2ekj s ALA 92 N -2.09 -2.15 -0.19 5.32 0.00 -0.93 -4.91 121.76 116.81 2ekj s ALA 92 Ca 0.46 2.30 -0.11 0.00 0.00 0.00 0.00 51.96 54.61 2ekj s ALA 92 Cb -0.11 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 2ekj s ALA 92 CO 0.29 -0.84 0.19 0.95 0.00 0.00 0.00 175.76 176.34 2ekj s THR 93 N 2.60 5.37 -0.35 0.00 -4.23 -1.26 -0.24 115.64 117.53 2ekj s THR 93 Ca -0.06 0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2ekj s THR 93 Cb -0.10 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 70.33 2ekj s THR 93 CO -0.19 0.41 0.17 -0.83 -0.54 0.00 0.00 174.62 173.64 2ekj s GLY 94 N 0.51 1.08 -0.27 3.99 0.00 -1.26 -4.89 107.32 106.49 2ekj s GLY 94 Ca 0.11 -1.88 -0.40 0.00 0.00 0.00 0.00 44.72 42.55 2ekj s GLY 94 CO 0.01 1.80 1.71 -0.18 0.00 0.00 0.00 173.10 176.43 2ekj n GLN 95 N 4.35 1.07 -0.52 2.90 7.27 -1.26 -3.77 117.38 127.41 2ekj n GLN 95 Ca 0.04 0.39 -0.28 0.00 0.07 0.00 0.00 57.00 57.22 2ekj n GLN 95 Cb 0.39 -2.06 0.26 0.00 2.41 0.00 0.00 30.24 31.24 2ekj n GLN 95 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2ekj n THR 96 N 4.40 0.00 -3.04 1.69 -2.24 -1.23 -4.76 114.28 109.10 2ekj n THR 96 Ca 0.26 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 2ekj n THR 96 Cb 0.12 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.47 3.36 0.98 6.98 0.00 -1.26 -4.07 121.76 125.27 2ekj s ALA 97 Ca 0.64 0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2ekj s ALA 97 Cb -0.09 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 2ekj s ALA 97 CO 0.52 -0.03 -0.26 0.00 0.00 0.00 0.00 175.76 175.99 2ekj s PRO 99 N -2.75 3.20 0.29 0.00 0.04 -1.26 -4.69 135.00 129.82 2ekj s PRO 99 Ca 0.48 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2ekj s PRO 99 Cb -0.19 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 2ekj s PRO 99 CO 0.76 -0.96 1.45 -1.12 0.04 0.00 0.00 177.00 177.17 2ekj s SER 100 N -2.02 6.58 0.33 6.66 0.01 -1.26 -5.00 113.70 119.01 2ekj s SER 100 Ca 0.71 2.77 -0.07 0.00 1.31 0.00 0.00 55.95 60.67 2ekj s SER 100 Cb -0.23 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.39 2ekj s SER 100 CO 0.31 -0.73 0.56 0.61 0.41 0.00 0.00 173.24 174.39 2ekj n GLY 101 N 1.75 1.71 3.77 3.44 0.00 -1.26 -5.17 105.19 109.44 2ekj n GLY 101 Ca 0.05 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.44 2.45 0.60 1.61 0.04 -1.26 -4.92 135.00 131.08 2ekj s PRO 102 Ca 0.21 1.25 0.37 0.00 0.04 0.00 0.00 61.00 62.87 2ekj s PRO 102 Cb -0.02 -1.92 1.90 0.00 0.04 0.00 0.00 34.50 34.50 2ekj s PRO 102 CO 0.15 -1.50 2.20 0.66 0.04 0.00 0.00 177.00 178.55 2ekj h SER 103 N -0.70 0.00 -3.06 6.66 4.64 -2.04 -3.39 113.55 115.66 2ekj h SER 103 Ca -0.45 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.31 2ekj h SER 103 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.24 2ekj h SER 103 CO 0.52 0.03 0.87 -0.94 -0.87 0.00 0.00 176.83 176.44 2ekj s SER 104 N -5.57 6.37 0.00 4.97 1.04 -1.26 -5.35 113.70 113.90 2ekj s SER 104 Ca -0.03 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2ekj s SER 104 Cb 0.12 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2ekj s SER 104 CO 0.49 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.85