#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 6.74 0.65 1.61 1.04 -1.26 -4.99 113.70 117.49 2ekj s SER 2 Ca 0.00 -2.15 -0.16 0.00 0.48 0.00 0.00 55.95 54.13 2ekj s SER 2 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2ekj s SER 2 CO 0.00 -1.24 1.12 -0.44 0.98 0.00 0.00 173.24 173.66 2ekj s SER 3 N 4.33 5.11 0.00 7.02 0.01 -1.26 -4.87 113.70 124.03 2ekj s SER 3 Ca 0.49 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2ekj s SER 3 Cb 0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2ekj s SER 3 CO 0.00 -1.63 0.00 0.61 0.41 0.00 0.00 173.24 172.63 2ekj n GLY 4 N -0.34 -0.38 3.94 3.44 0.00 -1.26 -5.05 105.19 105.55 2ekj n GLY 4 Ca 0.11 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.50 4.96 0.05 1.61 0.01 -1.26 -5.06 113.70 111.52 2ekj s SER 5 Ca 0.00 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2ekj s SER 5 Cb 0.00 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.16 2ekj s SER 5 CO 0.00 -1.01 1.65 -0.55 0.41 0.00 0.00 173.24 173.75 2ekj s SER 6 N -4.35 6.62 0.00 2.44 0.15 -1.26 -4.52 113.70 112.78 2ekj s SER 6 Ca 0.47 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.57 2ekj s SER 6 Cb -0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2ekj s SER 6 CO 0.29 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2ekj n GLY 7 N 4.02 -0.10 3.73 9.45 0.00 -1.26 -5.13 105.19 115.89 2ekj n GLY 7 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.70 4.45 -0.09 1.61 0.52 -1.26 -4.78 118.95 117.68 2ekj s ARG 8 Ca 0.00 1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 57.06 2ekj s ARG 8 Cb 0.00 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.22 2ekj s ARG 8 CO 0.00 -0.20 -0.05 0.45 0.02 0.00 0.00 175.30 175.53 2ekj s SER 9 N 0.60 1.91 0.72 0.23 0.15 -1.26 -4.93 113.70 111.11 2ekj s SER 9 Ca 0.57 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 2ekj s SER 9 Cb -0.32 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.35 2ekj s SER 9 CO 0.33 -0.14 1.10 -2.16 1.20 0.00 0.00 173.24 173.57 2ekj s PRO 10 N 1.78 2.50 0.10 5.44 0.04 -1.26 -4.66 135.00 138.94 2ekj s PRO 10 Ca 0.04 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 2ekj s PRO 10 Cb -0.13 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2ekj s PRO 10 CO -0.07 -1.46 1.37 -1.25 0.04 0.00 0.00 177.00 175.63 2ekj s PRO 11 N -4.53 4.33 0.51 0.56 0.04 -1.26 -4.86 135.00 129.79 2ekj s PRO 11 Ca 0.64 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.73 2ekj s PRO 11 Cb -0.19 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2ekj s PRO 11 CO 0.49 -0.42 0.07 -1.12 0.04 0.00 0.00 177.00 176.06 2ekj s SER 12 N 1.15 4.22 -1.21 6.66 0.01 -1.24 -4.78 113.70 118.51 2ekj s SER 12 Ca 0.64 -1.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.25 2ekj s SER 12 Cb -0.36 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2ekj s SER 12 CO 0.30 -0.88 1.00 0.59 0.41 0.00 0.00 173.24 174.65 2ekj n ASN 13 N -1.34 -5.84 -4.71 2.44 3.02 -1.26 -0.84 115.26 106.72 2ekj n ASN 13 Ca -0.16 -0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 2ekj n ASN 13 Cb 0.66 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 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 -6.49 4.37 -0.15 3.41 1.43 -1.26 -4.37 118.68 115.62 2ekj s LEU 14 Ca 0.49 2.59 -0.02 0.00 -1.03 0.00 0.00 54.13 56.16 2ekj s LEU 14 Cb -0.22 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.47 2ekj s LEU 14 CO 0.61 -0.87 0.01 0.00 0.23 0.00 0.00 176.35 176.34 2ekj s ALA 15 N 1.80 0.95 -0.31 4.21 0.00 -0.94 -5.00 121.76 122.47 2ekj s ALA 15 Ca 0.72 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2ekj s ALA 15 Cb -0.43 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2ekj s ALA 15 CO 0.32 -0.89 0.47 -0.51 0.00 0.00 0.00 175.76 175.15 2ekj s LEU 16 N 1.87 4.22 -0.24 0.00 1.02 -1.26 -2.07 118.68 122.22 2ekj s LEU 16 Ca 0.01 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.29 2ekj s LEU 16 Cb -0.15 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.52 2ekj s LEU 16 CO -0.07 -0.36 -0.06 0.00 0.02 0.00 0.00 176.35 175.88 2ekj s ALA 17 N 2.27 2.74 -0.48 4.21 0.00 0.13 -4.95 121.76 125.68 2ekj s ALA 17 Ca 0.18 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2ekj s ALA 17 Cb -0.16 -1.69 0.07 0.00 0.00 0.00 0.00 23.12 21.35 2ekj s ALA 17 CO 0.11 -0.64 0.44 0.45 0.00 0.00 0.00 175.76 176.13 2ekj s SER 18 N 1.39 6.16 0.00 0.00 0.15 -1.26 0.86 113.70 121.01 2ekj s SER 18 Ca 0.03 -1.24 0.21 0.00 0.70 0.00 0.00 55.95 55.66 2ekj s SER 18 Cb -0.15 -2.21 -0.25 0.00 -1.71 0.00 0.00 66.02 61.70 2ekj s SER 18 CO -0.04 -0.70 0.57 -0.62 1.20 0.00 0.00 173.24 173.65 2ekj n GLU 19 N 5.41 0.65 -3.79 5.44 -0.58 -1.26 -4.62 120.64 121.89 2ekj n GLU 19 Ca -0.11 -0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.42 2ekj n GLU 19 Cb 0.44 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.33 0.05 -2.00 2.62 -1.32 -1.24 -5.02 115.64 105.41 2ekj s THR 20 Ca -0.06 -0.41 0.11 0.00 -1.21 0.00 0.00 61.69 60.11 2ekj s THR 20 Cb 0.12 -0.51 0.31 0.00 -1.51 0.00 0.00 72.50 70.91 2ekj s THR 20 CO 0.87 -0.23 1.09 -0.81 -2.21 0.00 0.00 174.62 173.34 2ekj n PRO 21 N 1.73 0.49 0.00 7.08 -0.04 -1.26 -1.72 135.00 141.28 2ekj n PRO 21 Ca -0.20 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.27 2ekj n PRO 21 Cb 0.56 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.85 0.90 -3.66 3.54 8.00 -1.26 -3.34 116.55 119.88 2ekj n ASP 22 Ca 0.08 -0.95 -0.13 0.00 0.71 0.00 0.00 54.79 54.50 2ekj n ASP 22 Cb 0.04 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.47 -0.31 -0.17 -2.24 0.01 -0.70 -0.23 113.70 109.59 2ekj s SER 23 Ca 0.02 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 2ekj s SER 23 Cb 0.02 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.73 2ekj s SER 23 CO 0.05 -0.63 0.07 -0.22 0.41 0.00 0.00 173.24 172.91 2ekj s LEU 24 N -1.85 0.63 0.52 2.44 2.96 -1.14 -3.61 118.68 118.63 2ekj s LEU 24 Ca -0.07 -0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 53.01 2ekj s LEU 24 Cb -0.01 -0.36 -0.07 0.00 0.50 0.00 0.00 46.19 46.25 2ekj s LEU 24 CO -0.01 -0.32 1.10 -1.58 -1.32 0.00 0.00 176.35 174.22 2ekj s GLN 25 N 2.04 3.52 -0.17 1.98 0.74 0.25 -2.96 119.66 125.06 2ekj s GLN 25 Ca 0.01 1.52 -0.10 0.00 0.05 0.00 0.00 55.36 56.84 2ekj s GLN 25 Cb -0.16 -2.04 0.06 0.00 1.10 0.00 0.00 33.01 31.97 2ekj s GLN 25 CO -0.08 -0.69 0.43 0.54 -0.55 0.00 0.00 175.29 174.93 2ekj s VAL 26 N -1.85 -0.02 0.33 1.34 0.11 -1.15 0.18 120.40 119.33 2ekj s VAL 26 Ca 0.71 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.87 2ekj s VAL 26 Cb -0.21 -0.63 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2ekj s VAL 26 CO 0.24 0.03 0.06 -0.94 -3.33 0.00 0.00 175.10 171.17 2ekj s SER 27 N 1.25 2.32 0.09 3.54 1.04 -0.88 -2.15 113.70 118.92 2ekj s SER 27 Ca -0.08 -1.39 -0.27 0.00 0.48 0.00 0.00 55.95 54.69 2ekj s SER 27 Cb -0.07 -0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.09 2ekj s SER 27 CO -0.11 -0.63 0.99 -1.66 0.98 0.00 0.00 173.24 172.81 2ekj s TRP 28 N -3.32 -0.16 -0.41 5.02 -2.14 -0.98 -2.22 118.94 114.73 2ekj s TRP 28 Ca 0.36 -0.08 -0.18 0.00 2.66 0.00 0.00 56.10 58.86 2ekj s TRP 28 Cb 0.08 0.61 0.02 0.00 -3.10 0.00 0.00 33.47 31.08 2ekj s TRP 28 CO 0.15 -0.69 0.46 0.99 -2.66 0.00 0.00 176.95 175.20 2ekj s THR 29 N -3.13 5.06 0.36 0.66 2.01 -0.02 -4.79 115.64 115.79 2ekj s THR 29 Ca 0.11 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 2ekj s THR 29 Cb -0.01 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2ekj s THR 29 CO -0.01 -0.40 1.21 -2.16 -0.69 0.00 0.00 174.62 172.57 2ekj s PRO 30 N 2.22 4.21 0.00 4.92 0.04 -1.26 -3.63 135.00 141.50 2ekj s PRO 30 Ca 0.14 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2ekj s PRO 30 Cb -0.17 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2ekj s PRO 30 CO 0.14 -0.22 0.00 -0.35 0.04 0.00 0.00 177.00 176.61 2ekj n PRO 31 N 0.44 -0.51 -0.09 0.56 -0.04 -1.26 -5.03 135.00 129.06 2ekj n PRO 31 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2ekj n PRO 31 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.03 -4.58 1.53 0.00 -1.26 -5.01 117.00 109.71 2ekj n LEU 32 Ca 0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 56.01 55.57 2ekj n LEU 32 Cb 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 43.42 43.13 2ekj n LEU 32 CO 0.00 0.69 0.43 0.61 0.00 0.00 0.00 177.39 179.13 2ekj n GLY 33 N 2.39 -0.61 3.55 -3.96 0.00 -1.26 -4.80 105.19 100.50 2ekj n GLY 33 Ca -0.32 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.82 2.32 -0.27 1.61 6.06 -1.26 -4.94 118.95 119.65 2ekj s ARG 34 Ca 0.74 0.98 -0.10 0.00 -2.50 0.00 0.00 55.73 54.85 2ekj s ARG 34 Cb -0.39 -4.52 -0.04 0.00 0.06 0.00 0.00 34.95 30.06 2ekj s ARG 34 CO 0.49 -3.08 0.15 0.54 -2.50 0.00 0.00 175.30 170.89 2ekj s VAL 35 N 10.86 4.92 0.04 7.11 0.11 -1.26 -4.44 120.40 137.74 2ekj s VAL 35 Ca 0.83 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.74 2ekj s VAL 35 Cb -0.15 -3.34 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 2ekj s VAL 35 CO 0.22 0.28 1.25 -0.07 -3.33 0.00 0.00 175.10 173.45 2ekj h LEU 36 N 8.32 -0.61 -8.59 2.54 3.38 -1.54 -3.46 115.31 115.36 2ekj h LEU 36 Ca -0.36 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.36 2ekj h LEU 36 Cb 1.18 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 2ekj h LEU 36 CO 0.56 -0.32 -0.30 -1.38 0.09 0.00 0.00 178.44 177.09 2ekj s HIS 37 N -4.29 1.17 -0.42 1.13 -3.43 -1.26 -4.00 115.29 104.20 2ekj s HIS 37 Ca -0.08 -1.34 0.01 0.00 -0.80 0.00 0.00 55.06 52.85 2ekj s HIS 37 Cb 0.02 -0.26 0.11 0.00 -1.43 0.00 0.00 32.58 31.02 2ekj s HIS 37 CO 0.27 -1.00 0.17 0.71 -2.00 0.00 0.00 174.74 172.89 2ekj s TYR 38 N -3.37 3.59 -0.56 0.38 1.51 -1.15 -1.40 117.35 116.35 2ekj s TYR 38 Ca 0.33 -2.81 -0.26 0.00 -1.01 0.00 0.00 57.07 53.32 2ekj s TYR 38 Cb 0.01 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 2ekj s TYR 38 CO 0.20 -0.92 2.16 -0.46 -1.11 0.00 0.00 175.55 175.43 2ekj s TRP 39 N 0.70 1.34 0.09 2.71 -0.11 -0.80 -3.28 118.94 119.59 2ekj s TRP 39 Ca 0.12 1.23 -0.16 0.00 1.22 0.00 0.00 56.10 58.50 2ekj s TRP 39 Cb -0.21 -3.81 -0.07 0.00 -1.50 0.00 0.00 33.47 27.88 2ekj s TRP 39 CO -0.05 -2.40 0.53 -1.17 -4.62 0.00 0.00 176.95 169.24 2ekj s LEU 40 N 10.89 4.43 -0.25 5.86 0.20 -0.98 -2.75 118.68 136.09 2ekj s LEU 40 Ca 0.84 1.12 -0.03 0.00 0.69 0.00 0.00 54.13 56.75 2ekj s LEU 40 Cb -0.15 -3.01 0.11 0.00 -0.43 0.00 0.00 46.19 42.71 2ekj s LEU 40 CO 0.23 0.20 0.23 0.42 -0.29 0.00 0.00 176.35 177.14 2ekj s THR 41 N -1.27 -0.31 0.17 3.68 -4.23 0.48 -1.23 115.64 112.94 2ekj s THR 41 Ca 0.32 -0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 2ekj s THR 41 Cb -0.17 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2ekj s THR 41 CO 0.18 -0.38 0.25 -0.72 -0.54 0.00 0.00 174.62 173.41 2ekj s TYR 42 N 2.30 3.38 0.24 3.99 -0.85 -1.23 -0.01 117.35 125.17 2ekj s TYR 42 Ca 0.08 0.06 -0.15 0.00 -0.52 0.00 0.00 57.07 56.53 2ekj s TYR 42 Cb -0.15 -1.60 0.01 0.00 0.38 0.00 0.00 41.96 40.59 2ekj s TYR 42 CO -0.23 0.51 0.53 0.00 -1.52 0.00 0.00 175.55 174.84 2ekj s ALA 43 N -1.79 -0.56 -2.00 9.51 0.00 -0.32 -1.22 121.76 125.39 2ekj s ALA 43 Ca 0.33 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.75 2ekj s ALA 43 Cb -0.10 0.98 0.64 0.00 0.00 0.00 0.00 23.12 24.63 2ekj s ALA 43 CO 0.27 -0.88 1.07 -0.35 0.00 0.00 0.00 175.76 175.87 2ekj n PRO 44 N -0.39 0.49 -2.71 0.00 -0.04 -1.26 -0.26 135.00 130.83 2ekj n PRO 44 Ca -0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 2ekj n PRO 44 Cb 0.61 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.84 -0.81 -3.49 0.55 0.00 -1.26 -4.71 120.51 109.96 2ekj n ALA 45 Ca 0.08 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 2ekj n ALA 45 Cb 0.04 -2.81 -0.07 0.00 0.00 0.00 0.00 19.45 16.60 2ekj n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ekj s SER 46 N -2.35 -0.59 -1.30 0.00 1.04 -1.26 -4.93 113.70 104.31 2ekj s SER 46 Ca 0.15 0.95 -0.14 0.00 0.48 0.00 0.00 55.95 57.38 2ekj s SER 46 Cb -0.07 0.93 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 2ekj s SER 46 CO 0.18 -0.36 2.30 0.61 0.98 0.00 0.00 173.24 176.95 2ekj n GLY 47 N 2.03 3.88 1.62 7.32 0.00 -1.26 -3.96 105.19 114.81 2ekj n GLY 47 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 5.74 0.01 -4.78 0.99 4.77 -1.26 -5.12 117.00 117.35 2ekj n LEU 48 Ca 0.56 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.29 2ekj n LEU 48 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2ekj n LEU 48 CO 0.90 -0.31 -0.12 -0.83 -1.33 0.00 0.00 177.39 175.71 2ekj s GLY 49 N -4.99 2.36 0.85 -0.72 0.00 -1.25 -5.13 107.32 98.45 2ekj s GLY 49 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 2ekj s GLY 49 CO 0.00 -1.91 1.09 2.56 0.00 0.00 0.00 173.10 174.84 2ekj s PRO 50 N -3.98 1.60 -0.15 2.90 0.04 -1.26 -4.90 135.00 129.24 2ekj s PRO 50 Ca 0.39 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.27 2ekj s PRO 50 Cb 0.02 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2ekj s PRO 50 CO 0.22 -2.04 0.17 -2.00 0.04 0.00 0.00 177.00 173.39 2ekj s GLU 51 N -4.93 3.91 0.68 4.56 2.12 -1.26 -4.69 118.70 119.10 2ekj s GLU 51 Ca 0.63 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 2ekj s GLU 51 Cb -0.18 -3.33 0.15 0.00 0.26 0.00 0.00 34.13 31.04 2ekj s GLU 51 CO 0.57 0.49 0.93 1.63 -0.54 0.00 0.00 175.26 178.34 2ekj n LYS 52 N 2.87 -0.49 -3.50 4.30 4.76 -0.35 -5.00 118.16 120.75 2ekj n LYS 52 Ca -0.17 -1.94 -0.00 0.00 -2.87 0.00 0.00 58.31 53.33 2ekj n LYS 52 Cb 0.53 -0.81 -0.05 0.00 -1.84 0.00 0.00 35.03 32.87 2ekj n LYS 52 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ekj s SER 53 N -4.59 -0.65 -0.04 4.39 0.01 -1.26 -3.58 113.70 107.98 2ekj s SER 53 Ca 0.57 0.93 0.04 0.00 1.31 0.00 0.00 55.95 58.79 2ekj s SER 53 Cb -0.02 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.84 2ekj s SER 53 CO 0.39 -0.13 -0.14 0.68 0.41 0.00 0.00 173.24 174.45 2ekj s VAL 54 N 2.22 1.19 0.41 3.43 -7.23 -0.36 -4.98 120.40 115.07 2ekj s VAL 54 Ca -0.05 -0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 2ekj s VAL 54 Cb -0.06 -1.04 -0.11 0.00 0.56 0.00 0.00 36.38 35.74 2ekj s VAL 54 CO -0.17 0.35 0.95 -0.55 -0.31 0.00 0.00 175.10 175.37 2ekj s SER 55 N 0.14 6.99 -0.02 4.85 0.15 -1.26 -2.31 113.70 122.24 2ekj s SER 55 Ca -0.04 1.73 0.03 0.00 0.70 0.00 0.00 55.95 58.37 2ekj s SER 55 Cb -0.11 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ekj s SER 55 CO 0.02 -0.32 -0.11 -0.69 1.20 0.00 0.00 173.24 173.33 2ekj s VAL 56 N -2.06 0.92 -0.32 4.45 1.01 -1.21 -4.94 120.40 118.25 2ekj s VAL 56 Ca 0.60 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2ekj s VAL 56 Cb -0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2ekj s VAL 56 CO 0.15 0.27 1.68 -2.16 0.00 0.00 0.00 175.10 175.05 2ekj s PRO 57 N -0.01 3.48 0.26 2.72 0.04 -1.26 -2.91 135.00 137.32 2ekj s PRO 57 Ca -0.00 1.38 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2ekj s PRO 57 Cb -0.07 -4.13 0.74 0.00 0.04 0.00 0.00 34.50 31.07 2ekj s PRO 57 CO 0.00 -1.68 1.22 0.41 0.04 0.00 0.00 177.00 177.00 2ekj n GLY 58 N 5.20 -0.91 0.24 0.56 0.00 -1.26 0.06 105.19 109.09 2ekj n GLY 58 Ca 0.21 0.72 0.11 0.00 0.00 0.00 0.00 46.02 47.06 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 -3.01 0.38 -2.78 4.61 0.00 -1.26 -4.30 120.51 114.15 2ekj n ALA 59 Ca 0.22 0.75 -0.21 0.00 0.00 0.00 0.00 53.44 54.19 2ekj n ALA 59 Cb 0.72 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -5.57 3.01 -0.24 0.00 1.70 0.11 -5.04 118.95 112.93 2ekj s ARG 60 Ca -0.09 -1.03 0.10 0.00 -0.47 0.00 0.00 55.73 54.24 2ekj s ARG 60 Cb 0.21 -2.63 0.45 0.00 -0.57 0.00 0.00 34.95 32.41 2ekj s ARG 60 CO 0.55 0.34 1.31 -1.13 -1.08 0.00 0.00 175.30 175.28 2ekj n SER 61 N -1.29 2.10 -3.71 -2.89 3.41 -1.26 -4.77 113.62 105.21 2ekj n SER 61 Ca -0.07 -3.87 -0.08 0.00 -0.26 0.00 0.00 58.87 54.60 2ekj n SER 61 Cb 0.58 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.26 -0.29 -0.16 7.33 0.00 -1.26 -2.32 115.29 115.33 2ekj s HIS 62 Ca 0.41 -0.07 -0.30 0.00 -3.00 0.00 0.00 55.06 52.10 2ekj s HIS 62 Cb 0.39 0.65 0.14 0.00 -4.00 0.00 0.00 32.58 29.75 2ekj s HIS 62 CO -0.04 -1.04 1.07 0.54 -1.00 0.00 0.00 174.74 174.26 2ekj s VAL 63 N -3.75 0.00 -0.11 -5.38 0.11 -0.91 -4.94 120.40 105.42 2ekj s VAL 63 Ca 0.08 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 2ekj s VAL 63 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2ekj s VAL 63 CO 0.00 0.00 0.10 -0.89 -3.33 0.00 0.00 175.10 170.98 2ekj s THR 64 N -1.55 5.17 -0.57 5.04 2.01 -1.26 -2.95 115.64 121.52 2ekj s THR 64 Ca 0.02 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 2ekj s THR 64 Cb -0.01 -3.24 0.15 0.00 0.01 0.00 0.00 72.50 69.41 2ekj s THR 64 CO -0.02 0.60 0.43 -0.76 -0.69 0.00 0.00 174.62 174.18 2ekj s LEU 65 N -1.03 5.68 1.22 4.42 1.43 -1.16 -4.97 118.68 124.28 2ekj s LEU 65 Ca 0.15 -2.35 -0.20 0.00 -1.03 0.00 0.00 54.13 50.70 2ekj s LEU 65 Cb -0.12 -1.97 0.30 0.00 0.03 0.00 0.00 46.19 44.42 2ekj s LEU 65 CO 0.04 -0.56 1.11 -2.16 0.23 0.00 0.00 176.35 175.02 2ekj s PRO 66 N 0.69 -1.40 -1.19 1.29 0.04 -1.26 -2.88 135.00 130.29 2ekj s PRO 66 Ca 0.11 -0.13 -0.05 0.00 0.04 0.00 0.00 61.00 60.98 2ekj s PRO 66 Cb -0.21 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 2ekj s PRO 66 CO -0.03 -3.82 0.83 -0.25 0.04 0.00 0.00 177.00 173.77 2ekj n ASP 67 N -4.82 -3.47 -4.74 6.66 8.00 -0.12 -4.87 116.55 113.20 2ekj n ASP 67 Ca 0.14 -0.79 -0.24 0.00 0.71 0.00 0.00 54.79 54.61 2ekj n ASP 67 Cb 0.60 -4.45 -0.07 0.00 -0.02 0.00 0.00 41.12 37.17 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 -6.24 3.13 0.00 0.64 1.43 0.68 -4.98 118.68 113.34 2ekj s LEU 68 Ca 0.20 -1.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2ekj s LEU 68 Cb -0.04 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.76 2ekj s LEU 68 CO 0.79 -0.52 0.45 0.00 0.23 0.00 0.00 176.35 177.29 2ekj n GLN 69 N -1.23 0.66 -4.20 1.70 6.02 -1.22 -4.00 117.38 115.10 2ekj n GLN 69 Ca -0.01 -1.59 -0.26 0.00 -0.01 0.00 0.00 57.00 55.13 2ekj n GLN 69 Cb 0.64 -0.18 -0.07 0.00 1.02 0.00 0.00 30.24 31.65 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 -2.51 3.26 -0.57 -1.58 0.00 -1.21 -4.34 121.76 114.81 2ekj s ALA 70 Ca 0.33 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2ekj s ALA 70 Cb -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2ekj s ALA 70 CO 0.21 0.44 0.14 0.00 0.00 0.00 0.00 175.76 176.55 2ekj n ALA 71 N -0.32 -1.01 -3.65 0.00 0.00 -0.88 -4.87 120.51 109.78 2ekj n ALA 71 Ca -0.09 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 2ekj n ALA 71 Cb 0.56 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.37 0.26 1.25 0.00 2.01 -1.26 -4.81 115.64 110.71 2ekj s THR 72 Ca 0.17 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 2ekj s THR 72 Cb -0.10 -0.98 0.28 0.00 0.01 0.00 0.00 72.50 71.71 2ekj s THR 72 CO 0.21 -0.42 0.71 2.29 -0.69 0.00 0.00 174.62 176.73 2ekj n LYS 73 N 5.13 -3.02 -3.40 4.92 0.00 -1.26 -3.63 118.16 116.90 2ekj n LYS 73 Ca -0.07 -0.87 -0.12 0.00 -0.00 0.00 0.00 58.31 57.24 2ekj n LYS 73 Cb 0.46 -1.94 -0.10 0.00 -0.00 0.00 0.00 35.03 33.45 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 -2.26 -0.62 -0.41 5.58 1.51 -1.25 -4.59 117.35 115.30 2ekj s TYR 74 Ca 0.63 0.59 -0.28 0.00 -1.01 0.00 0.00 57.07 57.00 2ekj s TYR 74 Cb -0.18 -0.13 -0.08 0.00 -0.11 0.00 0.00 41.96 41.47 2ekj s TYR 74 CO 0.61 -0.68 2.34 -2.13 -1.11 0.00 0.00 175.55 174.58 2ekj n ARG 75 N 5.35 1.30 -3.28 -0.62 0.63 0.65 -4.14 116.66 116.55 2ekj n ARG 75 Ca -0.04 0.22 -0.42 0.00 -0.92 0.00 0.00 57.85 56.68 2ekj n ARG 75 Cb 0.50 -3.15 -0.08 0.00 0.45 0.00 0.00 32.46 30.18 2ekj n ARG 75 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ekj s VAL 76 N 10.14 5.04 -0.34 5.15 1.01 -0.53 -1.18 120.40 139.69 2ekj s VAL 76 Ca 1.03 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 2ekj s VAL 76 Cb -0.37 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.00 2ekj s VAL 76 CO 0.33 -0.39 0.12 -0.76 0.00 0.00 0.00 175.10 174.41 2ekj s LEU 77 N 2.29 4.33 0.11 3.92 1.02 0.99 -2.00 118.68 129.34 2ekj s LEU 77 Ca 0.15 -1.04 0.05 0.00 0.02 0.00 0.00 54.13 53.31 2ekj s LEU 77 Cb -0.16 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 2ekj s LEU 77 CO 0.14 -0.32 0.04 -0.69 0.02 0.00 0.00 176.35 175.55 2ekj s VAL 78 N 1.45 4.19 -0.15 -1.59 1.01 -0.99 -0.39 120.40 123.94 2ekj s VAL 78 Ca -0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2ekj s VAL 78 Cb -0.19 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.19 2ekj s VAL 78 CO 0.04 0.05 0.38 -0.44 0.00 0.00 0.00 175.10 175.13 2ekj s SER 79 N -2.55 -0.44 -0.31 3.32 0.01 -1.11 -2.06 113.70 110.56 2ekj s SER 79 Ca 0.28 0.81 -0.25 0.00 1.31 0.00 0.00 55.95 58.10 2ekj s SER 79 Cb -0.11 0.74 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2ekj s SER 79 CO 0.20 -0.16 0.87 0.00 0.41 0.00 0.00 173.24 174.55 2ekj s ALA 80 N 0.86 3.53 0.04 1.44 0.00 -1.26 -1.91 121.76 124.45 2ekj s ALA 80 Ca -0.05 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 2ekj s ALA 80 Cb -0.06 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2ekj s ALA 80 CO -0.07 -1.27 0.69 0.42 0.00 0.00 0.00 175.76 175.54 2ekj s ILE 81 N 3.13 4.77 0.20 0.00 -1.09 -0.49 -1.36 121.20 126.36 2ekj s ILE 81 Ca 0.36 1.46 0.05 0.00 -2.23 0.00 0.00 60.65 60.29 2ekj s ILE 81 Cb -0.14 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 2ekj s ILE 81 CO 0.13 0.41 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.87 2ekj s TYR 82 N -0.24 1.49 0.22 3.97 2.02 0.84 -1.27 117.35 124.37 2ekj s TYR 82 Ca 0.35 -0.79 -0.16 0.00 -0.37 0.00 0.00 57.07 56.10 2ekj s TYR 82 Cb -0.20 -0.80 0.25 0.00 -0.40 0.00 0.00 41.96 40.82 2ekj s TYR 82 CO 0.21 0.09 1.58 0.00 -1.57 0.00 0.00 175.55 175.86 2ekj h ALA 83 N 2.59 0.26 0.31 3.71 0.00 -1.98 -2.25 119.26 121.91 2ekj h ALA 83 Ca -0.38 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ekj h ALA 83 Cb 1.21 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2ekj h ALA 83 CO 0.64 -0.54 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 2ekj h ALA 84 N 1.45 -0.42 -2.11 0.00 0.00 -1.96 -3.49 119.26 112.73 2ekj h ALA 84 Ca 0.33 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2ekj h ALA 84 Cb 0.58 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2ekj h ALA 84 CO -0.82 -0.48 0.21 0.41 0.00 0.00 0.00 179.25 178.57 2ekj n GLY 85 N 0.16 1.16 3.67 0.00 0.00 -0.85 -5.17 105.19 104.17 2ekj n GLY 85 Ca -0.08 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.03 2.87 1.23 1.61 1.70 -1.26 -0.11 118.95 122.96 2ekj s ARG 86 Ca 0.09 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 54.64 2ekj s ARG 86 Cb -0.01 -2.72 0.30 0.00 -0.57 0.00 0.00 34.95 31.95 2ekj s ARG 86 CO 0.03 0.67 1.10 -1.54 -1.08 0.00 0.00 175.30 174.48 2ekj s SER 87 N -1.15 0.72 1.14 -2.89 1.04 -0.47 -4.96 113.70 107.13 2ekj s SER 87 Ca 0.16 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.04 2ekj s SER 87 Cb -0.11 -0.83 0.24 0.00 0.10 0.00 0.00 66.02 65.41 2ekj s SER 87 CO 0.05 -4.24 0.53 -1.84 0.98 0.00 0.00 173.24 168.72 2ekj n GLU 88 N -4.84 -2.67 -4.49 4.02 0.28 -1.26 -4.57 120.64 107.11 2ekj n GLU 88 Ca 0.14 -0.89 -0.33 0.00 -0.16 0.00 0.00 57.16 55.92 2ekj n GLU 88 Cb 0.60 -1.40 -0.16 0.00 1.43 0.00 0.00 31.44 31.90 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 -2.07 2.28 -0.31 -1.84 0.00 -1.26 -4.47 121.76 114.09 2ekj s ALA 89 Ca 0.41 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2ekj s ALA 89 Cb -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2ekj s ALA 89 CO 0.34 -0.14 0.21 0.14 0.00 0.00 0.00 175.76 176.31 2ekj s VAL 90 N 0.97 5.17 0.59 0.00 -7.23 -0.87 -4.89 120.40 114.15 2ekj s VAL 90 Ca -0.03 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 2ekj s VAL 90 Cb -0.15 -3.58 0.02 0.00 0.56 0.00 0.00 36.38 33.23 2ekj s VAL 90 CO -0.06 0.10 0.88 -0.55 -0.31 0.00 0.00 175.10 175.17 2ekj s SER 91 N 1.72 5.42 -0.30 4.85 0.15 -1.25 -2.34 113.70 121.95 2ekj s SER 91 Ca 0.06 0.53 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 2ekj s SER 91 Cb -0.17 -1.47 0.17 0.00 -1.71 0.00 0.00 66.02 62.84 2ekj s SER 91 CO 0.10 -1.14 0.98 0.00 1.20 0.00 0.00 173.24 174.38 2ekj s ALA 92 N -2.97 -2.87 -0.18 5.45 0.00 -0.85 -4.88 121.76 115.46 2ekj s ALA 92 Ca 0.55 1.87 -0.18 0.00 0.00 0.00 0.00 51.96 54.20 2ekj s ALA 92 Cb -0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2ekj s ALA 92 CO 0.43 -1.11 0.49 0.95 0.00 0.00 0.00 175.76 176.53 2ekj s THR 93 N 2.61 5.13 -0.39 0.00 -4.23 -1.26 -1.46 115.64 116.04 2ekj s THR 93 Ca -0.00 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2ekj s THR 93 Cb -0.08 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 70.07 2ekj s THR 93 CO -0.16 0.22 0.20 -0.83 -0.54 0.00 0.00 174.62 173.50 2ekj s GLY 94 N 1.03 1.40 -0.27 3.99 0.00 -1.26 -4.90 107.32 107.31 2ekj s GLY 94 Ca 0.24 -2.25 -0.40 0.00 0.00 0.00 0.00 44.72 42.30 2ekj s GLY 94 CO 0.10 1.64 1.70 -0.18 0.00 0.00 0.00 173.10 176.36 2ekj n GLN 95 N 3.95 1.06 -0.19 2.90 7.27 -1.26 -3.96 117.38 127.15 2ekj n GLN 95 Ca 0.06 0.39 -0.20 0.00 0.07 0.00 0.00 57.00 57.32 2ekj n GLN 95 Cb 0.37 -2.05 0.19 0.00 2.41 0.00 0.00 30.24 31.16 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 4.38 0.00 -2.93 1.69 -2.24 -1.24 -4.80 114.28 109.14 2ekj n THR 96 Ca 0.26 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.69 2ekj n THR 96 Cb 0.12 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.14 3.14 0.06 6.98 0.00 -1.26 -4.11 121.76 124.43 2ekj s ALA 97 Ca 0.45 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 2ekj s ALA 97 Cb -0.08 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2ekj s ALA 97 CO 0.37 0.20 0.41 0.00 0.00 0.00 0.00 175.76 176.74 2ekj s PRO 99 N -1.67 2.58 0.32 0.00 0.04 -1.26 -4.96 135.00 130.05 2ekj s PRO 99 Ca 0.30 0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.49 2ekj s PRO 99 Cb -0.15 -4.78 -0.02 0.00 0.04 0.00 0.00 34.50 29.59 2ekj s PRO 99 CO 0.17 -3.11 0.39 -1.54 0.04 0.00 0.00 177.00 172.95 2ekj s SER 100 N 8.06 5.78 0.00 6.66 1.04 -1.26 -5.02 113.70 128.96 2ekj s SER 100 Ca 0.69 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2ekj s SER 100 Cb -0.09 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2ekj s SER 100 CO 0.08 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2ekj n GLY 101 N -1.51 -2.26 3.77 7.32 0.00 -1.26 -4.99 105.19 106.25 2ekj n GLY 101 Ca -0.02 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.88 2.23 -0.58 1.61 0.04 -1.26 -4.94 135.00 128.22 2ekj s PRO 102 Ca 0.00 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 2ekj s PRO 102 Cb 0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2ekj s PRO 102 CO 0.00 -1.66 1.52 0.45 0.04 0.00 0.00 177.00 177.35 2ekj s SER 103 N -3.39 5.92 -0.04 6.66 0.15 -1.26 -4.88 113.70 116.86 2ekj s SER 103 Ca 0.61 0.26 -0.18 0.00 0.70 0.00 0.00 55.95 57.34 2ekj s SER 103 Cb -0.17 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.48 2ekj s SER 103 CO 0.56 -1.88 0.77 -1.28 1.20 0.00 0.00 173.24 172.60 2ekj h SER 104 N 11.94 -0.35 -0.02 5.45 0.87 -2.00 -3.57 113.55 125.87 2ekj h SER 104 Ca -0.27 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2ekj h SER 104 Cb 1.11 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2ekj h SER 104 CO 1.19 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.22