#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 4.57 0.37 1.61 1.04 -1.26 -5.08 113.70 114.95 2ekj s SER 2 Ca 0.00 -0.50 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2ekj s SER 2 Cb 0.00 -0.89 -0.12 0.00 0.10 0.00 0.00 66.02 65.10 2ekj s SER 2 CO 0.00 0.07 0.85 -1.20 0.98 0.00 0.00 173.24 173.94 2ekj n SER 3 N -0.24 0.50 0.00 7.02 7.64 -1.26 -4.92 113.62 122.36 2ekj n SER 3 Ca -0.09 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2ekj n SER 3 Cb 0.56 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2ekj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ekj n GLY 4 N 1.42 1.57 3.27 0.23 0.00 -1.26 -5.14 105.19 105.28 2ekj n GLY 4 Ca 0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 -0.61 0.27 1.61 0.01 -1.26 -5.03 113.70 108.69 2ekj s SER 5 Ca 0.00 0.97 0.01 0.00 1.31 0.00 0.00 55.95 58.23 2ekj s SER 5 Cb 0.00 1.71 0.65 0.00 0.21 0.00 0.00 66.02 68.59 2ekj s SER 5 CO 0.00 -0.25 1.40 -1.20 0.41 0.00 0.00 173.24 173.60 2ekj n SER 6 N 5.41 -0.13 -2.45 2.44 7.64 -1.26 -3.74 113.62 121.54 2ekj n SER 6 Ca -0.07 1.52 -0.03 0.00 1.01 0.00 0.00 58.87 61.30 2ekj n SER 6 Cb 0.50 -0.54 0.09 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.46 1.05 2.98 0.23 0.00 -1.26 -5.11 105.19 101.62 2ekj n GLY 7 Ca 0.20 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 0.11 1.98 -0.11 1.61 0.52 -1.24 -4.68 118.95 117.13 2ekj s ARG 8 Ca 0.09 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2ekj s ARG 8 Cb 0.32 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.48 2ekj s ARG 8 CO -0.09 -0.40 -0.23 0.45 0.02 0.00 0.00 175.30 175.05 2ekj s SER 9 N 1.45 3.05 0.67 0.23 0.15 -1.26 -4.72 113.70 113.26 2ekj s SER 9 Ca 0.00 -0.56 -0.15 0.00 0.70 0.00 0.00 55.95 55.94 2ekj s SER 9 Cb -0.16 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2ekj s SER 9 CO -0.08 0.14 1.11 -2.16 1.20 0.00 0.00 173.24 173.44 2ekj s PRO 10 N 0.45 2.77 -0.02 5.44 0.04 -1.26 -4.71 135.00 137.70 2ekj s PRO 10 Ca -0.16 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2ekj s PRO 10 Cb -0.17 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2ekj s PRO 10 CO 0.07 -1.27 1.46 -1.25 0.04 0.00 0.00 177.00 176.05 2ekj s PRO 11 N -4.15 4.25 0.53 0.56 0.04 -1.26 -4.89 135.00 130.07 2ekj s PRO 11 Ca 0.67 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.77 2ekj s PRO 11 Cb -0.20 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.67 2ekj s PRO 11 CO 0.42 -0.66 0.32 -1.12 0.04 0.00 0.00 177.00 176.00 2ekj s SER 12 N 2.26 4.54 -1.22 6.66 0.01 -1.25 -4.72 113.70 119.98 2ekj s SER 12 Ca 0.66 -1.30 -0.06 0.00 1.31 0.00 0.00 55.95 56.56 2ekj s SER 12 Cb -0.32 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.28 2ekj s SER 12 CO 0.26 -1.01 0.76 0.59 0.41 0.00 0.00 173.24 174.25 2ekj n ASN 13 N -1.64 -5.54 -4.69 2.44 3.02 -1.26 -1.26 115.26 106.34 2ekj n ASN 13 Ca -0.05 -0.35 -0.44 0.00 -0.03 0.00 0.00 54.58 53.71 2ekj n ASN 13 Cb 0.65 -4.26 -0.04 0.00 -0.61 0.00 0.00 39.78 35.52 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 -3.85 3.45 -3.74 3.41 4.77 -1.26 -4.55 117.00 115.23 2ekj n LEU 14 Ca -0.04 1.07 -0.28 0.00 -0.03 0.00 0.00 56.01 56.73 2ekj n LEU 14 Cb 0.58 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 2ekj n LEU 14 CO 0.47 -0.10 -0.37 0.00 -1.33 0.00 0.00 177.39 176.06 2ekj s ALA 15 N 1.08 1.07 -0.32 -1.18 0.00 -1.15 -5.03 121.76 116.24 2ekj s ALA 15 Ca 0.78 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 2ekj s ALA 15 Cb -0.61 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2ekj s ALA 15 CO 0.36 -1.21 0.27 -0.51 0.00 0.00 0.00 175.76 174.66 2ekj s LEU 16 N 1.83 4.30 -0.06 0.00 1.02 -1.26 -2.54 118.68 121.97 2ekj s LEU 16 Ca -0.00 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.00 2ekj s LEU 16 Cb -0.17 -2.21 -0.02 0.00 0.02 0.00 0.00 46.19 43.81 2ekj s LEU 16 CO -0.09 -0.20 -0.15 0.00 0.02 0.00 0.00 176.35 175.93 2ekj s ALA 17 N 1.84 2.64 -0.30 4.21 0.00 0.11 -4.92 121.76 125.33 2ekj s ALA 17 Ca 0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2ekj s ALA 17 Cb -0.17 -0.98 0.05 0.00 0.00 0.00 0.00 23.12 22.03 2ekj s ALA 17 CO 0.11 0.52 -0.00 0.45 0.00 0.00 0.00 175.76 176.83 2ekj s SER 18 N -0.59 4.85 -0.00 0.00 0.15 -1.26 0.33 113.70 117.17 2ekj s SER 18 Ca 0.09 -1.33 0.09 0.00 0.70 0.00 0.00 55.95 55.49 2ekj s SER 18 Cb -0.11 -1.70 -0.11 0.00 -1.71 0.00 0.00 66.02 62.39 2ekj s SER 18 CO 0.01 -0.27 0.30 -1.84 1.20 0.00 0.00 173.24 172.65 2ekj n GLU 19 N 4.59 2.65 -3.75 5.44 0.28 -1.26 -4.75 120.64 123.84 2ekj n GLU 19 Ca -0.13 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2ekj n GLU 19 Cb 0.43 -1.03 -0.11 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.13 -0.01 -2.00 3.84 -1.32 -1.24 -5.02 115.64 107.76 2ekj s THR 20 Ca 0.01 0.04 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 2ekj s THR 20 Cb 0.06 -0.47 0.28 0.00 -1.51 0.00 0.00 72.50 70.87 2ekj s THR 20 CO 0.36 0.01 1.03 -0.81 -2.21 0.00 0.00 174.62 173.01 2ekj n PRO 21 N 3.30 0.49 0.00 7.08 -0.04 -1.26 -1.69 135.00 142.89 2ekj n PRO 21 Ca -0.16 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.32 2ekj n PRO 21 Cb 0.57 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.81 1.23 -3.49 3.54 8.00 -1.26 -3.69 116.55 120.08 2ekj n ASP 22 Ca 0.07 -1.12 -0.13 0.00 0.71 0.00 0.00 54.79 54.32 2ekj n ASP 22 Cb 0.03 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.43 -0.54 -0.05 -2.24 0.01 -0.68 -0.27 113.70 109.50 2ekj s SER 23 Ca 0.04 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.65 2ekj s SER 23 Cb 0.03 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.78 2ekj s SER 23 CO 0.06 -0.69 -0.08 -0.22 0.41 0.00 0.00 173.24 172.72 2ekj s LEU 24 N -1.90 1.48 0.05 2.44 2.96 -1.07 -3.73 118.68 118.92 2ekj s LEU 24 Ca -0.03 -0.20 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 2ekj s LEU 24 Cb -0.01 -0.60 -0.06 0.00 0.50 0.00 0.00 46.19 46.03 2ekj s LEU 24 CO -0.02 -0.01 0.77 -1.58 -1.32 0.00 0.00 176.35 174.19 2ekj s GLN 25 N 0.77 4.50 -0.03 1.98 2.00 0.15 -1.87 119.66 127.17 2ekj s GLN 25 Ca -0.13 1.08 -0.01 0.00 -2.00 0.00 0.00 55.36 54.31 2ekj s GLN 25 Cb -0.15 -3.36 0.03 0.00 0.80 0.00 0.00 33.01 30.33 2ekj s GLN 25 CO 0.02 0.29 0.06 0.54 -0.50 0.00 0.00 175.29 175.70 2ekj s VAL 26 N -0.09 -0.07 0.38 1.34 0.11 -0.48 0.07 120.40 121.65 2ekj s VAL 26 Ca 0.39 0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 2ekj s VAL 26 Cb -0.21 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2ekj s VAL 26 CO 0.23 0.10 0.17 -1.20 -3.33 0.00 0.00 175.10 171.08 2ekj n SER 27 N 4.38 0.75 -3.65 3.54 7.64 -1.05 -1.03 113.62 124.20 2ekj n SER 27 Ca -0.24 -3.11 -0.00 0.00 1.01 0.00 0.00 58.87 56.53 2ekj n SER 27 Cb 0.50 1.16 -0.00 0.00 -1.01 0.00 0.00 64.21 64.86 2ekj n SER 27 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2ekj s TRP 28 N -3.11 -0.04 -0.36 1.43 -2.14 -0.89 -2.92 118.94 110.92 2ekj s TRP 28 Ca 0.25 -0.15 -0.18 0.00 2.66 0.00 0.00 56.10 58.68 2ekj s TRP 28 Cb 0.01 0.59 0.00 0.00 -3.10 0.00 0.00 33.47 30.97 2ekj s TRP 28 CO 0.17 -0.49 0.49 0.99 -2.66 0.00 0.00 176.95 175.45 2ekj s THR 29 N -2.55 5.03 0.24 0.66 2.01 -0.39 -4.81 115.64 115.83 2ekj s THR 29 Ca 0.17 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 2ekj s THR 29 Cb 0.02 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2ekj s THR 29 CO -0.01 -0.25 1.28 -2.16 -0.69 0.00 0.00 174.62 172.79 2ekj s PRO 30 N 2.34 4.42 0.00 4.92 0.04 -1.26 -3.85 135.00 141.60 2ekj s PRO 30 Ca 0.17 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2ekj s PRO 30 Cb -0.16 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2ekj s PRO 30 CO 0.14 -0.17 0.00 -0.35 0.04 0.00 0.00 177.00 176.65 2ekj n PRO 31 N 2.06 -0.75 -0.09 0.56 -0.04 -1.26 -5.01 135.00 130.47 2ekj n PRO 31 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2ekj n PRO 31 Cb 0.43 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.44 -4.77 1.53 -0.00 -1.26 -4.96 117.00 107.98 2ekj n LEU 32 Ca 0.00 0.04 -0.38 0.00 -0.00 0.00 0.00 56.01 55.67 2ekj n LEU 32 Cb 0.00 0.30 -0.01 0.00 -0.00 0.00 0.00 43.42 43.71 2ekj n LEU 32 CO 0.00 0.53 0.88 -0.83 -0.00 0.00 0.00 177.39 177.97 2ekj s GLY 33 N -5.54 2.84 -0.30 1.47 0.00 -1.26 -4.91 107.32 99.63 2ekj s GLY 33 Ca -0.12 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.37 2ekj s GLY 33 CO 0.81 1.56 2.03 -1.60 0.00 0.00 0.00 173.10 175.89 2ekj s ARG 34 N -2.52 3.14 -0.24 2.90 3.00 -1.26 -4.96 118.95 119.01 2ekj s ARG 34 Ca 0.61 1.67 -0.07 0.00 -1.00 0.00 0.00 55.73 56.94 2ekj s ARG 34 Cb -0.32 -4.31 -0.03 0.00 0.00 0.00 0.00 34.95 30.29 2ekj s ARG 34 CO 0.40 -2.09 0.06 0.54 0.00 0.00 0.00 175.30 174.21 2ekj s VAL 35 N 7.94 4.25 0.05 7.11 0.11 -1.26 -4.43 120.40 134.16 2ekj s VAL 35 Ca 0.90 -0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 59.60 2ekj s VAL 35 Cb -0.27 -2.98 -0.06 0.00 -1.53 0.00 0.00 36.38 31.54 2ekj s VAL 35 CO 0.33 0.35 1.24 -0.07 -3.33 0.00 0.00 175.10 173.63 2ekj h LEU 36 N 8.18 -0.71 0.00 2.54 3.38 -0.90 -3.42 115.31 124.38 2ekj h LEU 36 Ca -0.38 0.08 -0.32 0.00 0.09 0.00 0.00 57.88 57.34 2ekj h LEU 36 Cb 1.17 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 2ekj h LEU 36 CO 0.58 -0.24 -0.24 0.00 0.09 0.00 0.00 178.44 178.63 2ekj n HIS 37 N -3.78 -1.13 -3.95 1.13 1.44 -1.25 -2.87 115.22 104.81 2ekj n HIS 37 Ca -0.04 -2.30 -0.30 0.00 -2.01 0.00 0.00 57.72 53.08 2ekj n HIS 37 Cb 0.18 0.42 -0.14 0.00 0.12 0.00 0.00 29.99 30.57 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 -3.14 3.20 -0.46 -1.40 2.02 -0.83 -2.09 117.35 114.66 2ekj s TYR 38 Ca 0.30 -3.11 -0.26 0.00 -0.37 0.00 0.00 57.07 53.63 2ekj s TYR 38 Cb 0.00 -2.78 -0.07 0.00 -0.40 0.00 0.00 41.96 38.71 2ekj s TYR 38 CO 0.21 -0.78 2.38 -0.46 -1.57 0.00 0.00 175.55 175.34 2ekj s TRP 39 N -0.06 1.09 -0.01 2.71 -0.11 -0.63 -3.60 118.94 118.32 2ekj s TRP 39 Ca 0.16 1.42 -0.14 0.00 1.22 0.00 0.00 56.10 58.77 2ekj s TRP 39 Cb -0.25 -3.63 -0.05 0.00 -1.50 0.00 0.00 33.47 28.03 2ekj s TRP 39 CO -0.01 -2.74 0.37 -1.17 -4.62 0.00 0.00 176.95 168.78 2ekj s LEU 40 N 11.66 4.46 -0.23 5.86 0.20 -0.98 -2.29 118.68 137.37 2ekj s LEU 40 Ca 0.98 0.90 -0.04 0.00 0.69 0.00 0.00 54.13 56.66 2ekj s LEU 40 Cb -0.19 -2.53 0.09 0.00 -0.43 0.00 0.00 46.19 43.14 2ekj s LEU 40 CO 0.27 0.33 0.18 0.42 -0.29 0.00 0.00 176.35 177.27 2ekj s THR 41 N -1.08 -0.22 0.07 3.68 -4.23 0.97 -0.98 115.64 113.85 2ekj s THR 41 Ca 0.23 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2ekj s THR 41 Cb -0.16 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2ekj s THR 41 CO 0.12 -0.40 0.13 -0.72 -0.54 0.00 0.00 174.62 173.21 2ekj s TYR 42 N 2.23 3.33 0.18 3.99 1.13 -1.22 0.00 117.35 126.99 2ekj s TYR 42 Ca 0.07 0.16 -0.19 0.00 -1.41 0.00 0.00 57.07 55.69 2ekj s TYR 42 Cb -0.16 -1.68 0.04 0.00 -1.10 0.00 0.00 41.96 39.06 2ekj s TYR 42 CO -0.21 0.55 0.54 0.00 -2.51 0.00 0.00 175.55 173.92 2ekj s ALA 43 N -1.42 -1.15 -2.00 9.51 0.00 -1.10 -3.36 121.76 122.24 2ekj s ALA 43 Ca 0.31 0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.39 2ekj s ALA 43 Cb -0.12 0.83 0.65 0.00 0.00 0.00 0.00 23.12 24.48 2ekj s ALA 43 CO 0.24 -0.78 1.09 -0.35 0.00 0.00 0.00 175.76 175.96 2ekj n PRO 44 N -0.34 0.49 -3.62 0.00 -0.04 -1.26 0.36 135.00 130.59 2ekj n PRO 44 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 2ekj n PRO 44 Cb 0.63 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.26 0.04 0.55 0.00 -1.26 -4.83 120.51 112.90 2ekj n ALA 45 Ca 0.08 0.33 -0.00 0.00 0.00 0.00 0.00 53.44 53.85 2ekj n ALA 45 Cb 0.04 -5.04 -0.00 0.00 0.00 0.00 0.00 19.45 14.44 2ekj n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ekj n SER 46 N -2.90 1.00 0.00 0.00 2.88 -1.26 -5.06 113.62 108.28 2ekj n SER 46 Ca 0.01 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2ekj n SER 46 Cb 0.56 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2ekj n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekj n GLY 47 N 3.38 1.37 0.67 0.46 0.00 -1.26 -5.06 105.19 104.75 2ekj n GLY 47 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2ekj n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekj n LEU 48 N 0.00 1.36 0.00 0.99 4.77 -1.26 -5.08 117.00 117.79 2ekj n LEU 48 Ca 0.00 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2ekj n LEU 48 Cb 0.00 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2ekj n LEU 48 CO 0.00 -0.47 0.41 0.61 -1.33 0.00 0.00 177.39 176.61 2ekj n GLY 49 N 2.65 -0.20 3.77 -0.72 0.00 -1.26 -5.06 105.19 104.37 2ekj n GLY 49 Ca -0.07 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 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 -4.29 3.00 -0.13 1.61 0.04 -1.26 -5.02 135.00 128.95 2ekj s PRO 50 Ca 0.41 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 2ekj s PRO 50 Cb -0.02 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2ekj s PRO 50 CO 0.28 -1.11 0.41 -2.00 0.04 0.00 0.00 177.00 174.62 2ekj s GLU 51 N -3.81 4.29 0.54 4.56 2.56 -1.26 -4.99 118.70 120.59 2ekj s GLU 51 Ca 0.69 0.32 -0.05 0.00 0.00 0.00 0.00 54.97 55.93 2ekj s GLU 51 Cb -0.22 -3.42 -0.01 0.00 2.00 0.00 0.00 34.13 32.49 2ekj s GLU 51 CO 0.36 0.21 0.84 0.15 -0.56 0.00 0.00 175.26 176.27 2ekj s LYS 52 N 0.48 3.11 -0.30 4.30 -0.14 -1.21 -5.04 119.74 120.93 2ekj s LYS 52 Ca 0.22 -0.01 -0.07 0.00 -1.36 0.00 0.00 55.97 54.75 2ekj s LYS 52 Cb -0.14 -2.33 0.15 0.00 -1.68 0.00 0.00 37.83 33.83 2ekj s LYS 52 CO 0.08 -0.51 0.66 -1.12 -0.76 0.00 0.00 175.35 173.70 2ekj s SER 53 N -4.24 -1.18 -0.13 2.83 0.01 -1.26 -3.43 113.70 106.31 2ekj s SER 53 Ca 0.51 1.26 -0.02 0.00 1.31 0.00 0.00 55.95 59.02 2ekj s SER 53 Cb -0.10 2.20 -0.03 0.00 0.21 0.00 0.00 66.02 68.30 2ekj s SER 53 CO 0.44 -0.22 -0.05 0.68 0.41 0.00 0.00 173.24 174.50 2ekj s VAL 54 N 2.86 3.81 0.30 3.43 -7.23 -0.15 -4.96 120.40 118.46 2ekj s VAL 54 Ca 0.04 -0.40 -0.27 0.00 -1.81 0.00 0.00 61.98 59.53 2ekj s VAL 54 Cb -0.13 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.09 2ekj s VAL 54 CO -0.19 0.53 0.94 -0.55 -0.31 0.00 0.00 175.10 175.52 2ekj s SER 55 N -0.04 7.41 -0.02 4.85 0.15 -1.26 -2.32 113.70 122.47 2ekj s SER 55 Ca 0.01 1.86 0.03 0.00 0.70 0.00 0.00 55.95 58.54 2ekj s SER 55 Cb -0.13 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2ekj s SER 55 CO 0.03 -0.01 -0.09 -0.69 1.20 0.00 0.00 173.24 173.68 2ekj s VAL 56 N -1.51 0.76 -0.32 4.45 1.01 -1.24 -4.97 120.40 118.59 2ekj s VAL 56 Ca 0.48 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 2ekj s VAL 56 Cb -0.20 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2ekj s VAL 56 CO 0.26 0.23 1.68 -2.16 0.00 0.00 0.00 175.10 175.11 2ekj s PRO 57 N 0.06 3.49 0.39 2.72 0.04 -1.26 -1.96 135.00 138.48 2ekj s PRO 57 Ca -0.01 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.70 2ekj s PRO 57 Cb -0.07 -4.12 1.31 0.00 0.04 0.00 0.00 34.50 31.65 2ekj s PRO 57 CO 0.00 -1.67 1.35 0.41 0.04 0.00 0.00 177.00 177.13 2ekj n GLY 58 N 5.19 -0.74 0.33 0.56 0.00 -1.14 0.16 105.19 109.56 2ekj n GLY 58 Ca 0.21 0.65 0.16 0.00 0.00 0.00 0.00 46.02 47.04 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 1.35 1.31 -3.16 4.61 0.00 -1.87 -3.39 119.26 118.11 2ekj h ALA 59 Ca 0.77 0.30 -0.64 0.00 0.00 0.00 0.00 54.91 55.34 2ekj h ALA 59 Cb 2.51 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 20.71 2ekj h ALA 59 CO -0.38 -0.59 -0.59 -0.98 0.00 0.00 0.00 179.25 176.70 2ekj s ARG 60 N -5.93 2.92 -0.34 0.00 1.70 0.12 -5.02 118.95 112.41 2ekj s ARG 60 Ca -0.12 -0.67 0.07 0.00 -0.47 0.00 0.00 55.73 54.54 2ekj s ARG 60 Cb 0.29 -2.75 0.53 0.00 -0.57 0.00 0.00 34.95 32.45 2ekj s ARG 60 CO 0.78 0.57 1.56 0.43 -1.08 0.00 0.00 175.30 177.56 2ekj n SER 61 N 0.45 2.98 -3.63 -2.89 7.64 -1.26 -4.74 113.62 112.17 2ekj n SER 61 Ca -0.08 -3.76 -0.14 0.00 1.01 0.00 0.00 58.87 55.89 2ekj n SER 61 Cb 0.52 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2ekj s HIS 62 N -3.30 -0.37 0.29 1.43 0.00 -1.26 -2.08 115.29 109.99 2ekj s HIS 62 Ca 0.48 0.45 -0.21 0.00 -3.00 0.00 0.00 55.06 52.79 2ekj s HIS 62 Cb 0.43 0.27 0.02 0.00 -4.00 0.00 0.00 32.58 29.30 2ekj s HIS 62 CO 0.02 -0.57 0.73 0.54 -1.00 0.00 0.00 174.74 174.45 2ekj s VAL 63 N -2.09 0.00 0.02 -5.38 0.11 -0.20 -5.00 120.40 107.86 2ekj s VAL 63 Ca -0.07 -1.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.03 2ekj s VAL 63 Cb -0.01 -2.07 -0.02 0.00 -1.53 0.00 0.00 36.38 32.75 2ekj s VAL 63 CO 0.01 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.72 2ekj s THR 64 N -3.79 1.30 -0.55 5.04 2.01 -1.26 -1.38 115.64 117.01 2ekj s THR 64 Ca 0.11 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 2ekj s THR 64 Cb -0.06 -1.13 0.14 0.00 0.01 0.00 0.00 72.50 71.47 2ekj s THR 64 CO 0.07 0.19 0.39 -0.76 -0.69 0.00 0.00 174.62 173.82 2ekj s LEU 65 N -0.85 5.56 1.25 4.42 1.43 -0.78 -4.93 118.68 124.77 2ekj s LEU 65 Ca 0.05 -2.34 -0.21 0.00 -1.03 0.00 0.00 54.13 50.60 2ekj s LEU 65 Cb -0.07 -1.94 0.31 0.00 0.03 0.00 0.00 46.19 44.52 2ekj s LEU 65 CO 0.01 -0.54 1.11 -2.16 0.23 0.00 0.00 176.35 175.00 2ekj s PRO 66 N 0.71 -1.62 -1.22 1.29 0.04 -1.26 -2.60 135.00 130.33 2ekj s PRO 66 Ca 0.11 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 60.87 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 0.76 -0.25 0.04 0.00 0.00 177.00 173.57 2ekj n ASP 67 N -4.90 -3.21 -4.66 6.66 9.92 0.63 -4.83 116.55 116.16 2ekj n ASP 67 Ca 0.15 -0.86 -0.24 0.00 -0.53 0.00 0.00 54.79 53.32 2ekj n ASP 67 Cb 0.60 -4.06 -0.07 0.00 -0.64 0.00 0.00 41.12 36.95 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 -6.40 3.12 0.68 0.64 1.43 -0.63 -4.97 118.68 112.54 2ekj s LEU 68 Ca 0.21 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2ekj s LEU 68 Cb -0.06 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.72 2ekj s LEU 68 CO 0.81 -0.19 0.93 -1.10 0.23 0.00 0.00 176.35 177.04 2ekj s GLN 69 N -3.74 1.85 0.04 1.70 -0.21 -1.24 -3.98 119.66 114.08 2ekj s GLN 69 Ca 0.35 -1.47 0.03 0.00 0.02 0.00 0.00 55.36 54.30 2ekj s GLN 69 Cb -0.03 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2ekj s GLN 69 CO 0.20 -1.28 -0.03 0.00 -2.12 0.00 0.00 175.29 172.07 2ekj s ALA 70 N -2.96 3.19 -1.28 6.09 0.00 -1.25 -4.61 121.76 120.93 2ekj s ALA 70 Ca 0.66 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 2ekj s ALA 70 Cb -0.05 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2ekj s ALA 70 CO 0.43 0.66 1.00 0.00 0.00 0.00 0.00 175.76 177.84 2ekj n ALA 71 N 1.12 -1.80 -3.17 0.00 0.00 -1.02 -4.85 120.51 110.78 2ekj n ALA 71 Ca -0.13 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2ekj n ALA 71 Cb 0.52 -3.25 -0.11 0.00 0.00 0.00 0.00 19.45 16.61 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 -3.39 0.02 0.74 0.00 2.01 -1.26 -4.91 115.64 108.84 2ekj s THR 72 Ca 0.19 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2ekj s THR 72 Cb -0.09 -0.44 0.10 0.00 0.01 0.00 0.00 72.50 72.08 2ekj s THR 72 CO 0.75 -0.10 1.04 -0.54 -0.69 0.00 0.00 174.62 175.08 2ekj s LYS 73 N -0.35 1.86 -0.28 4.92 3.01 -1.26 -0.66 119.74 126.97 2ekj s LYS 73 Ca -0.05 -0.50 -0.06 0.00 -1.01 0.00 0.00 55.97 54.35 2ekj s LYS 73 Cb -0.03 -2.18 0.14 0.00 -1.01 0.00 0.00 37.83 34.75 2ekj s LYS 73 CO 0.01 -1.43 0.59 0.71 0.51 0.00 0.00 175.35 175.74 2ekj s TYR 74 N -3.29 -1.34 -0.87 3.18 1.51 -1.26 -4.67 117.35 110.63 2ekj s TYR 74 Ca 0.63 1.96 -0.25 0.00 -1.01 0.00 0.00 57.07 58.40 2ekj s TYR 74 Cb -0.08 0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 42.37 2ekj s TYR 74 CO 0.45 -0.72 1.79 0.50 -1.11 0.00 0.00 175.55 176.47 2ekj s ARG 75 N 2.83 2.81 -0.94 -0.62 3.52 0.16 -3.35 118.95 123.37 2ekj s ARG 75 Ca 0.04 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.10 2ekj s ARG 75 Cb -0.13 -4.95 0.04 0.00 -1.56 0.00 0.00 34.95 28.34 2ekj s ARG 75 CO -0.19 -2.96 1.43 0.08 -0.81 0.00 0.00 175.30 172.85 2ekj s VAL 76 N 8.64 3.84 -0.39 7.11 1.01 0.26 -2.72 120.40 138.16 2ekj s VAL 76 Ca 0.63 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 2ekj s VAL 76 Cb -0.06 -4.96 0.01 0.00 0.00 0.00 0.00 36.38 31.37 2ekj s VAL 76 CO 0.02 -1.86 0.71 -0.76 0.00 0.00 0.00 175.10 173.21 2ekj s LEU 77 N 5.45 4.25 0.11 3.92 1.02 0.10 -3.13 118.68 130.41 2ekj s LEU 77 Ca 0.45 0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.72 2ekj s LEU 77 Cb -0.03 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.26 2ekj s LEU 77 CO -0.03 -0.72 0.08 -0.69 0.02 0.00 0.00 176.35 175.00 2ekj s VAL 78 N 2.95 4.40 -0.16 -1.59 1.01 -0.82 -0.02 120.40 126.16 2ekj s VAL 78 Ca 0.27 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2ekj s VAL 78 Cb -0.14 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.15 2ekj s VAL 78 CO 0.18 0.05 0.40 -0.94 0.00 0.00 0.00 175.10 174.79 2ekj s SER 79 N -2.59 -0.49 -0.21 3.32 1.04 -0.97 -1.68 113.70 112.12 2ekj s SER 79 Ca 0.29 0.86 -0.23 0.00 0.48 0.00 0.00 55.95 57.35 2ekj s SER 79 Cb -0.11 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2ekj s SER 79 CO 0.22 -0.19 0.77 0.00 0.98 0.00 0.00 173.24 175.01 2ekj s ALA 80 N 1.29 3.58 -0.28 5.32 0.00 -1.26 -1.61 121.76 128.80 2ekj s ALA 80 Ca -0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 2ekj s ALA 80 Cb -0.08 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2ekj s ALA 80 CO -0.11 -0.75 0.35 0.42 0.00 0.00 0.00 175.76 175.66 2ekj s ILE 81 N 2.41 5.19 0.37 0.00 1.09 -0.89 -0.42 121.20 128.95 2ekj s ILE 81 Ca 0.34 0.42 0.08 0.00 -1.10 0.00 0.00 60.65 60.38 2ekj s ILE 81 Cb -0.16 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 2ekj s ILE 81 CO 0.10 0.12 0.18 -0.31 -0.10 0.00 0.00 174.94 174.93 2ekj s TYR 82 N 2.02 2.67 0.25 3.97 2.02 0.41 -0.16 117.35 128.53 2ekj s TYR 82 Ca 0.13 -0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2ekj s TYR 82 Cb -0.16 -1.81 0.47 0.00 -0.40 0.00 0.00 41.96 40.06 2ekj s TYR 82 CO 0.10 0.24 1.73 0.00 -1.57 0.00 0.00 175.55 176.05 2ekj h ALA 83 N 1.45 1.08 -0.02 3.71 0.00 -1.98 -2.40 119.26 121.11 2ekj h ALA 83 Ca -0.43 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2ekj h ALA 83 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ekj h ALA 83 CO 0.65 -0.20 -0.14 0.00 0.00 0.00 0.00 179.25 179.55 2ekj h ALA 84 N 1.55 0.04 -2.07 0.00 0.00 -1.96 -3.49 119.26 113.34 2ekj h ALA 84 Ca 0.42 -0.40 0.33 0.00 0.00 0.00 0.00 54.91 55.25 2ekj h ALA 84 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2ekj h ALA 84 CO -0.40 -0.01 0.86 0.20 0.00 0.00 0.00 179.25 179.90 2ekj s GLY 85 N -3.73 -0.15 -0.10 0.00 0.00 -0.90 -5.16 107.32 97.28 2ekj s GLY 85 Ca -0.16 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.56 2ekj s GLY 85 CO 0.72 4.56 0.20 1.09 0.00 0.00 0.00 173.10 179.67 2ekj s ARG 86 N -2.09 3.62 1.09 2.90 1.70 -1.26 -0.45 118.95 124.47 2ekj s ARG 86 Ca 0.27 -0.02 -0.18 0.00 -0.47 0.00 0.00 55.73 55.33 2ekj s ARG 86 Cb 0.00 -3.22 0.24 0.00 -0.57 0.00 0.00 34.95 31.40 2ekj s ARG 86 CO -0.01 0.70 1.19 -1.54 -1.08 0.00 0.00 175.30 174.57 2ekj s SER 87 N -0.87 1.90 1.09 -2.89 1.04 0.44 -4.96 113.70 109.45 2ekj s SER 87 Ca 0.16 0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 2ekj s SER 87 Cb -0.13 -0.73 0.21 0.00 0.10 0.00 0.00 66.02 65.47 2ekj s SER 87 CO 0.05 -3.51 0.47 -1.84 0.98 0.00 0.00 173.24 169.39 2ekj n GLU 88 N -4.33 -2.47 -5.01 4.02 0.28 -1.26 -4.48 120.64 107.38 2ekj n GLU 88 Ca 0.13 -0.78 -0.31 0.00 -0.16 0.00 0.00 57.16 56.04 2ekj n GLU 88 Cb 0.59 -1.22 -0.17 0.00 1.43 0.00 0.00 31.44 32.07 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 -2.06 2.04 -0.23 -1.84 0.00 -1.26 -4.40 121.76 114.02 2ekj s ALA 89 Ca 0.36 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2ekj s ALA 89 Cb -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2ekj s ALA 89 CO 0.30 0.20 0.12 0.14 0.00 0.00 0.00 175.76 176.52 2ekj s VAL 90 N 0.49 4.98 0.57 0.00 -7.23 -0.67 -4.88 120.40 113.66 2ekj s VAL 90 Ca -0.16 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 2ekj s VAL 90 Cb -0.17 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 2ekj s VAL 90 CO 0.06 0.36 0.90 -0.94 -0.31 0.00 0.00 175.10 175.17 2ekj s SER 91 N 1.07 5.91 -0.30 4.85 1.04 -1.26 -1.95 113.70 123.07 2ekj s SER 91 Ca 0.06 0.94 -0.11 0.00 0.48 0.00 0.00 55.95 57.32 2ekj s SER 91 Cb -0.14 -2.04 0.16 0.00 0.10 0.00 0.00 66.02 64.11 2ekj s SER 91 CO 0.04 -0.89 0.85 0.00 0.98 0.00 0.00 173.24 174.22 2ekj s ALA 92 N -2.97 -2.56 -0.32 5.32 0.00 -1.18 -4.89 121.76 115.16 2ekj s ALA 92 Ca 0.52 2.02 -0.18 0.00 0.00 0.00 0.00 51.96 54.32 2ekj s ALA 92 Cb -0.11 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2ekj s ALA 92 CO 0.47 -1.07 0.51 0.95 0.00 0.00 0.00 175.76 176.62 2ekj s THR 93 N 2.70 5.03 -0.40 0.00 -4.23 -1.26 -0.57 115.64 116.91 2ekj s THR 93 Ca 0.00 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 2ekj s THR 93 Cb -0.10 -3.92 0.12 0.00 1.34 0.00 0.00 72.50 69.94 2ekj s THR 93 CO -0.18 -0.13 0.16 -0.83 -0.54 0.00 0.00 174.62 173.10 2ekj s GLY 94 N 1.71 1.84 0.17 3.99 0.00 -1.21 -4.89 107.32 108.92 2ekj s GLY 94 Ca 0.19 -2.57 -0.32 0.00 0.00 0.00 0.00 44.72 42.02 2ekj s GLY 94 CO 0.12 1.23 1.73 -0.18 0.00 0.00 0.00 173.10 176.00 2ekj n GLN 95 N 3.91 2.63 -1.29 2.90 7.27 -1.26 -3.99 117.38 127.55 2ekj n GLN 95 Ca 0.04 0.95 -0.30 0.00 0.07 0.00 0.00 57.00 57.76 2ekj n GLN 95 Cb 0.38 -2.79 0.22 0.00 2.41 0.00 0.00 30.24 30.45 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 1.59 1.74 0.28 1.69 -4.23 0.16 -4.72 115.64 112.14 2ekj s THR 96 Ca 0.78 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 61.01 2ekj s THR 96 Cb -0.54 -2.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 2ekj s THR 96 CO 0.35 0.00 0.97 0.00 -0.54 0.00 0.00 174.62 175.40 2ekj s ALA 97 N -3.20 3.30 0.85 3.99 0.00 -1.26 -3.89 121.76 121.54 2ekj s ALA 97 Ca 0.71 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 2ekj s ALA 97 Cb -0.09 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2ekj s ALA 97 CO 0.55 0.13 1.11 0.00 0.00 0.00 0.00 175.76 177.55 2ekj n PRO 99 N -3.84 0.01 -3.87 0.00 -0.04 -1.26 -4.74 135.00 121.25 2ekj n PRO 99 Ca 0.09 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 2ekj n PRO 99 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2ekj n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ekj s SER 100 N -2.99 6.34 0.14 3.54 1.04 -1.26 -5.12 113.70 115.38 2ekj s SER 100 Ca 0.07 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2ekj s SER 100 Cb 0.09 -1.92 -0.00 0.00 0.10 0.00 0.00 66.02 64.30 2ekj s SER 100 CO 0.26 -0.04 0.01 0.61 0.98 0.00 0.00 173.24 175.06 2ekj n GLY 101 N -1.00 3.96 0.00 7.32 0.00 -1.26 -5.00 105.19 109.21 2ekj n GLY 101 Ca -0.07 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.84 2ekj n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ekj n PRO 102 N -0.34 0.49 -0.24 1.61 -0.04 -1.26 -4.05 135.00 131.17 2ekj n PRO 102 Ca -0.05 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.57 2ekj n PRO 102 Cb 0.19 -1.34 0.29 0.00 -0.04 0.00 0.00 33.50 32.59 2ekj n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ekj n SER 103 N -0.84 0.05 -0.07 3.54 2.88 -1.26 -1.81 113.62 116.10 2ekj n SER 103 Ca 0.08 1.20 -0.05 0.00 -1.33 0.00 0.00 58.87 58.76 2ekj n SER 103 Cb 0.04 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 2ekj n SER 103 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ekj n SER 104 N -4.83 1.82 0.00 -3.46 2.88 -1.26 -5.32 113.62 103.44 2ekj n SER 104 Ca 0.21 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2ekj n SER 104 Cb 0.69 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42