#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhu s SER 1 N 0.00 -0.31 0.28 1.61 0.15 -1.26 -5.17 113.70 109.00 1uhu s SER 1 Ca 0.00 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.05 1uhu s SER 1 Cb 0.00 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1uhu s SER 1 CO 0.00 -0.37 0.45 -0.55 1.20 0.00 0.00 173.24 173.97 1uhu s SER 2 N -0.83 6.32 0.21 5.45 0.15 -1.26 -4.97 113.70 118.76 1uhu s SER 2 Ca -0.09 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1uhu s SER 2 Cb -0.04 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1uhu s SER 2 CO 0.04 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1uhu n GLY 3 N -1.48 -3.48 2.82 9.45 0.00 -1.26 -5.04 105.19 106.20 1uhu n GLY 3 Ca -0.06 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1uhu n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhu s SER 4 N -3.03 0.13 0.08 1.61 0.01 -1.26 -4.98 113.70 106.26 1uhu s SER 4 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1uhu s SER 4 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1uhu s SER 4 CO 0.00 -0.15 0.00 -0.24 0.41 0.00 0.00 173.24 173.26 1uhu n SER 5 N 4.34 -0.76 -4.73 2.44 2.88 -1.26 -5.13 113.62 111.40 1uhu n SER 5 Ca -0.25 0.46 -0.41 0.00 -1.33 0.00 0.00 58.87 57.34 1uhu n SER 5 Cb 0.51 1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.95 1uhu n SER 5 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhu s GLY 6 N -1.76 2.94 0.30 0.46 0.00 -1.26 -5.05 107.32 102.94 1uhu s GLY 6 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 44.72 45.44 1uhu s GLY 6 CO 0.00 1.54 0.03 -0.51 0.00 0.00 0.00 173.10 174.17 1uhu s THR 7 N 0.11 3.18 -0.05 0.90 -4.23 -1.26 -5.05 115.64 109.25 1uhu s THR 7 Ca 0.48 -1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 1uhu s THR 7 Cb -0.24 -2.86 -0.23 0.00 1.34 0.00 0.00 72.50 70.51 1uhu s THR 7 CO 0.31 -0.30 1.06 1.55 -0.54 0.00 0.00 174.62 176.70 1uhu h PRO 8 N 1.79 0.16 -0.94 3.99 0.13 -1.84 -0.98 132.00 134.31 1uhu h PRO 8 Ca -0.44 -0.15 0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1uhu h PRO 8 Cb 1.25 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 8 CO 0.62 0.87 0.61 1.25 -0.23 0.00 0.00 178.00 181.12 1uhu h LEU 9 N -0.50 0.91 0.07 1.56 5.85 -1.77 0.65 115.31 122.08 1uhu h LEU 9 Ca -0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1uhu h LEU 9 Cb 0.93 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1uhu h LEU 9 CO 0.04 0.56 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.39 1uhu h SER 10 N 1.02 -0.08 0.04 1.25 0.87 -1.81 -0.98 113.55 113.86 1uhu h SER 10 Ca 0.42 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1uhu h SER 10 Cb 0.29 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1uhu h SER 10 CO -0.18 0.39 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.25 1uhu h LEU 11 N -0.57 -0.55 -0.11 2.23 3.38 -0.53 0.65 115.31 119.80 1uhu h LEU 11 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1uhu h LEU 11 Cb 0.49 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1uhu h LEU 11 CO 0.02 -0.26 -0.27 0.71 0.09 0.00 0.00 178.44 178.72 1uhu h THR 12 N -0.33 0.37 -0.74 0.22 1.35 0.24 0.11 112.91 114.13 1uhu h THR 12 Ca 0.04 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.96 1uhu h THR 12 Cb 0.39 0.37 -0.06 0.00 -1.73 0.00 0.00 68.15 67.13 1uhu h THR 12 CO -0.15 0.00 0.44 -0.07 -0.25 0.00 0.00 175.52 175.49 1uhu h LEU 13 N -0.35 0.67 -2.65 3.87 3.38 -0.77 0.41 115.31 119.87 1uhu h LEU 13 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1uhu h LEU 13 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1uhu h LEU 13 CO -0.31 0.44 -0.00 0.44 0.09 0.00 0.00 178.44 179.09 1uhu h ASP 14 N 0.81 0.00 -0.59 -0.43 3.32 0.17 -0.75 116.42 118.94 1uhu h ASP 14 Ca 0.32 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.94 1uhu h ASP 14 Cb 0.16 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.35 1uhu h ASP 14 CO -0.17 0.00 -0.80 1.41 -1.72 0.00 0.00 179.24 177.97 1uhu n HIS 15 N -3.54 2.14 -0.33 4.55 8.25 0.11 -4.79 115.22 121.62 1uhu n HIS 15 Ca -0.03 -2.07 0.21 0.00 -0.26 0.00 0.00 57.72 55.57 1uhu n HIS 15 Cb 0.08 -0.31 0.47 0.00 1.12 0.00 0.00 29.99 31.35 1uhu n HIS 15 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1uhu h TRP 16 N 2.00 0.78 -0.73 4.41 -0.00 0.94 0.75 115.95 124.10 1uhu h TRP 16 Ca 0.26 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 59.29 1uhu h TRP 16 Cb 1.44 -0.22 -0.08 0.00 -0.00 0.00 0.00 29.16 30.29 1uhu h TRP 16 CO 0.80 0.06 0.35 0.77 -0.00 0.00 0.00 178.44 180.41 1uhu h SER 17 N 0.46 0.42 -0.32 2.65 0.02 -1.84 0.93 113.55 115.86 1uhu h SER 17 Ca 0.61 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.55 1uhu h SER 17 Cb 1.42 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1uhu h SER 17 CO -0.36 0.22 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.34 1uhu h GLU 18 N 0.56 0.65 -0.35 3.45 4.57 0.13 -1.36 114.58 122.24 1uhu h GLU 18 Ca 0.37 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1uhu h GLU 18 Cb 0.45 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1uhu h GLU 18 CO -0.31 0.86 0.04 0.82 -1.18 0.00 0.00 179.01 179.24 1uhu h ILE 19 N 0.41 1.18 0.00 2.32 1.08 -0.06 -1.14 117.51 121.31 1uhu h ILE 19 Ca 0.07 -0.69 -0.10 0.00 -0.39 0.00 0.00 64.86 63.76 1uhu h ILE 19 Cb 0.65 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1uhu h ILE 19 CO 0.04 0.24 -0.49 0.03 -0.69 0.00 0.00 178.15 177.29 1uhu h ARG 20 N 0.51 0.00 -0.07 2.37 3.08 0.11 -2.92 114.38 117.46 1uhu h ARG 20 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1uhu h ARG 20 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1uhu h ARG 20 CO 0.00 0.49 -0.05 1.03 -1.07 0.00 0.00 179.97 180.37 1uhu h SER 21 N 0.00 0.16 -0.67 7.04 0.87 -0.08 -2.41 113.55 118.46 1uhu h SER 21 Ca -0.00 -0.46 0.12 0.00 -1.23 0.00 0.00 61.79 60.22 1uhu h SER 21 Cb 0.94 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 1uhu h SER 21 CO 0.06 0.58 0.45 0.03 -0.53 0.00 0.00 176.83 177.43 1uhu h ARG 22 N -0.26 0.42 -0.46 2.24 3.08 -1.31 0.11 114.38 118.20 1uhu h ARG 22 Ca 0.01 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1uhu h ARG 22 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1uhu h ARG 22 CO 0.01 0.28 -0.14 0.00 -1.07 0.00 0.00 179.97 179.05 1uhu h ALA 23 N 1.67 0.64 -0.28 0.04 0.00 -1.35 0.13 119.26 120.11 1uhu h ALA 23 Ca 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uhu h ALA 23 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uhu h ALA 23 CO -0.10 0.56 0.12 1.25 0.00 0.00 0.00 179.25 181.08 1uhu h HIS 24 N 0.75 0.41 -0.05 0.00 6.17 -0.36 1.50 115.15 123.57 1uhu h HIS 24 Ca 0.11 -0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.11 1uhu h HIS 24 Cb 0.69 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 1uhu h HIS 24 CO 0.05 0.39 -0.25 -0.97 0.71 0.00 0.00 177.93 177.86 1uhu h ASN 25 N 0.31 0.08 0.02 3.26 -0.73 -0.91 -0.11 115.58 117.50 1uhu h ASN 25 Ca 0.09 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1uhu h ASN 25 Cb 0.15 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1uhu h ASN 25 CO -0.01 0.34 -0.03 0.18 -0.37 0.00 0.00 177.43 177.54 1uhu n LEU 26 N -4.21 1.40 -3.59 0.34 4.77 0.45 -4.93 117.00 111.23 1uhu n LEU 26 Ca -0.02 -0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 55.31 1uhu n LEU 26 Cb 0.33 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1uhu n LEU 26 CO 0.38 0.24 0.02 -0.24 -1.33 0.00 0.00 177.39 176.46 1uhu n SER 27 N 0.04 -1.75 -4.04 -1.43 2.88 0.26 -5.00 113.62 104.59 1uhu n SER 27 Ca 0.18 -0.73 -0.10 0.00 -1.33 0.00 0.00 58.87 56.89 1uhu n SER 27 Cb 0.35 -4.53 -0.11 0.00 -0.75 0.00 0.00 64.21 59.16 1uhu n SER 27 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1uhu s VAL 28 N -3.52 0.33 -0.14 2.46 -7.23 0.44 -4.99 120.40 107.75 1uhu s VAL 28 Ca 0.03 -1.16 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1uhu s VAL 28 Cb -0.02 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 1uhu s VAL 28 CO 0.78 -0.54 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.21 1uhu s GLU 29 N -1.98 3.41 0.21 4.82 2.56 -1.26 -3.87 118.70 122.59 1uhu s GLU 29 Ca -0.09 -0.66 0.03 0.00 0.00 0.00 0.00 54.97 54.25 1uhu s GLU 29 Cb -0.07 -2.70 -0.05 0.00 2.00 0.00 0.00 34.13 33.31 1uhu s GLU 29 CO -0.02 0.17 -0.00 0.96 -0.56 0.00 0.00 175.26 175.81 1uhu s ILE 30 N 0.48 0.89 0.34 -3.70 -4.36 -1.26 -4.95 121.20 108.63 1uhu s ILE 30 Ca -0.08 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 1uhu s ILE 30 Cb -0.15 -2.26 -0.07 0.00 1.25 0.00 0.00 42.46 41.23 1uhu s ILE 30 CO 0.04 -0.38 -0.03 -0.54 0.24 0.00 0.00 174.94 174.27 1uhu s LYS 31 N -3.89 1.76 -0.07 0.37 1.02 -1.26 -5.05 119.74 112.62 1uhu s LYS 31 Ca 0.27 -1.94 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 1uhu s LYS 31 Cb 0.06 -1.39 -0.27 0.00 -0.52 0.00 0.00 37.83 35.71 1uhu s LYS 31 CO 0.07 0.00 0.57 -0.22 -0.92 0.00 0.00 175.35 174.85 1uhu h LYS 32 N 2.04 0.24 -0.13 1.68 3.64 -2.00 -2.53 116.57 119.50 1uhu h LYS 32 Ca -0.42 -0.40 0.03 0.00 -1.27 0.00 0.00 60.65 58.59 1uhu h LYS 32 Cb 1.24 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1uhu h LYS 32 CO 0.72 1.08 -0.05 0.78 -2.27 0.00 0.00 179.45 179.71 1uhu h GLY 33 N 1.59 0.07 1.17 5.01 0.00 -1.99 -1.07 103.07 107.84 1uhu h GLY 33 Ca -0.35 0.06 -0.24 0.00 0.00 0.00 0.00 47.33 46.80 1uhu h GLY 33 CO 0.12 -0.07 -0.92 -0.56 0.00 0.00 0.00 176.54 175.11 1uhu h PRO 34 N -0.03 0.72 -1.01 4.80 0.13 -1.98 -1.48 132.00 133.15 1uhu h PRO 34 Ca 0.07 -0.70 0.23 0.00 -0.87 0.00 0.00 66.00 64.73 1uhu h PRO 34 Cb 0.13 0.18 -0.11 0.00 0.13 0.00 0.00 31.00 31.33 1uhu h PRO 34 CO -0.15 1.29 0.61 2.35 -0.23 0.00 0.00 178.00 181.87 1uhu h TRP 35 N 0.42 0.99 0.00 1.56 2.91 -1.26 1.57 115.95 122.13 1uhu h TRP 35 Ca -0.10 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.95 1uhu h TRP 35 Cb 1.57 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1uhu h TRP 35 CO 0.10 0.12 -0.00 -0.09 -1.03 0.00 0.00 178.44 177.54 1uhu h ARG 36 N 0.62 -0.00 -0.11 2.65 2.43 -1.15 -2.93 114.38 115.90 1uhu h ARG 36 Ca 0.61 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.82 1uhu h ARG 36 Cb 1.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1uhu h ARG 36 CO -0.42 0.86 -0.16 1.15 -1.51 0.00 0.00 179.97 179.89 1uhu h THR 37 N -0.88 0.59 -0.81 0.20 2.02 -0.03 0.74 112.91 114.74 1uhu h THR 37 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1uhu h THR 37 Cb 0.86 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 1uhu h THR 37 CO 0.00 0.00 0.53 -0.26 0.37 0.00 0.00 175.52 176.16 1uhu h PHE 38 N -0.21 0.70 -0.56 3.16 0.04 0.21 0.85 116.94 121.14 1uhu h PHE 38 Ca 0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1uhu h PHE 38 Cb 0.33 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1uhu h PHE 38 CO -0.26 0.29 0.00 0.00 -0.60 0.00 0.00 178.31 177.74 1uhu n ALA 40 N 1.07 0.50 -2.61 0.00 0.00 0.29 -4.59 120.51 115.17 1uhu n ALA 40 Ca 0.20 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 1uhu n ALA 40 Cb 0.56 0.02 0.08 0.00 0.00 0.00 0.00 19.45 20.11 1uhu n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uhu n SER 41 N -4.38 -0.50 -0.01 0.00 2.88 -0.90 -4.81 113.62 105.90 1uhu n SER 41 Ca -0.08 -2.13 -0.01 0.00 -1.33 0.00 0.00 58.87 55.32 1uhu n SER 41 Cb 0.30 0.29 -0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1uhu n SER 41 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uhu n GLU 42 N -0.99 0.03 0.04 -1.46 4.07 -1.08 -4.41 120.64 116.84 1uhu n GLU 42 Ca -0.12 0.01 -0.20 0.00 -0.06 0.00 0.00 57.16 56.80 1uhu n GLU 42 Cb 0.85 -0.77 -0.13 0.00 -0.06 0.00 0.00 31.44 31.33 1uhu n GLU 42 CO 0.00 0.00 0.00 -1.49 -0.06 0.00 0.00 177.13 175.58 1uhu h TRP 43 N -0.02 0.63 0.00 4.31 6.55 -0.60 -3.12 115.95 123.70 1uhu h TRP 43 Ca -0.03 -0.41 0.00 0.00 0.95 0.00 0.00 58.89 59.40 1uhu h TRP 43 Cb 1.03 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 1uhu h TRP 43 CO -0.00 1.28 0.00 -0.35 -1.05 0.00 0.00 178.44 178.32 1uhu n PRO 44 N -4.11 0.75 -0.55 0.49 -0.04 -1.26 -2.37 135.00 127.91 1uhu n PRO 44 Ca -0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1uhu n PRO 44 Cb 0.80 -1.32 0.27 0.00 -0.04 0.00 0.00 33.50 33.20 1uhu n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uhu n THR 45 N -0.82 2.40 0.51 0.52 -2.24 -1.18 -4.38 114.28 109.09 1uhu n THR 45 Ca 0.12 -1.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.10 1uhu n THR 45 Cb 0.05 -0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1uhu n THR 45 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1uhu n PHE 46 N -0.46 0.30 -2.43 4.78 3.01 -1.00 -4.98 117.46 116.67 1uhu n PHE 46 Ca 0.24 0.09 -0.05 0.00 1.01 0.00 0.00 57.45 58.74 1uhu n PHE 46 Cb 0.97 -0.47 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 1uhu n PHE 46 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uhu n ASP 47 N -2.02 -4.86 0.12 4.37 9.92 -1.26 -4.99 116.55 117.83 1uhu n ASP 47 Ca 0.02 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 1uhu n ASP 47 Cb 0.45 -3.25 0.00 0.00 -0.64 0.00 0.00 41.12 37.68 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1uhu n VAL 48 N -2.05 0.13 0.00 2.53 0.24 -1.26 -5.06 118.33 112.86 1uhu n VAL 48 Ca -0.02 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1uhu n VAL 48 Cb 0.54 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1uhu n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uhu n GLY 49 N 1.74 0.00 3.56 7.63 0.00 -1.26 -5.15 105.19 111.71 1uhu n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1uhu n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1uhu s TRP 50 N 0.00 3.17 0.79 1.61 -0.11 -1.26 -4.94 118.94 118.20 1uhu s TRP 50 Ca 0.00 -0.11 -0.11 0.00 1.22 0.00 0.00 56.10 57.09 1uhu s TRP 50 Cb 0.00 -2.13 0.06 0.00 -1.50 0.00 0.00 33.47 29.91 1uhu s TRP 50 CO 0.00 -0.04 1.09 -1.25 -4.62 0.00 0.00 176.95 172.14 1uhu s PRO 51 N 0.81 2.16 0.20 5.86 0.04 -1.26 -4.29 135.00 138.52 1uhu s PRO 51 Ca 0.03 0.66 0.05 0.00 0.04 0.00 0.00 61.00 61.78 1uhu s PRO 51 Cb -0.14 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1uhu s PRO 51 CO 0.02 -1.57 1.45 -1.00 0.04 0.00 0.00 177.00 175.94 1uhu h PRO 52 N -1.06 0.14 0.00 0.56 0.13 -1.87 -3.06 132.00 126.84 1uhu h PRO 52 Ca -0.47 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 1uhu h PRO 52 Cb 1.26 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1uhu h PRO 52 CO 0.59 0.85 -0.39 0.93 -0.23 0.00 0.00 178.00 179.75 1uhu h GLU 53 N 0.08 0.00 0.00 0.86 3.07 -1.92 -3.41 114.58 113.26 1uhu h GLU 53 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1uhu h GLU 53 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1uhu h GLU 53 CO 0.11 0.39 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 1uhu n GLY 54 N 0.92 1.49 3.51 -3.84 0.00 -1.16 -2.18 105.19 103.95 1uhu n GLY 54 Ca 0.02 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 1uhu n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uhu s THR 55 N -1.74 0.01 -0.56 2.61 -1.32 -1.26 -4.69 115.64 108.68 1uhu s THR 55 Ca 0.00 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1uhu s THR 55 Cb 0.00 -0.94 0.53 0.00 -1.51 0.00 0.00 72.50 70.58 1uhu s THR 55 CO 0.00 -0.02 1.93 0.49 -2.21 0.00 0.00 174.62 174.81 1uhu n PHE 56 N 1.64 3.06 -3.43 9.09 3.72 -1.26 -4.87 117.46 125.40 1uhu n PHE 56 Ca -0.17 -2.53 -0.44 0.00 -0.05 0.00 0.00 57.45 54.26 1uhu n PHE 56 Cb 0.56 -1.19 -0.08 0.00 -0.94 0.00 0.00 39.48 37.84 1uhu n PHE 56 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1uhu s ASP 57 N -1.77 6.00 0.54 4.37 2.15 -1.26 -4.70 116.67 122.00 1uhu s ASP 57 Ca 0.61 -1.53 0.41 0.00 0.43 0.00 0.00 52.55 52.46 1uhu s ASP 57 Cb 0.49 -2.13 1.60 0.00 -0.30 0.00 0.00 42.92 42.58 1uhu s ASP 57 CO 0.03 -0.68 1.72 0.25 -0.17 0.00 0.00 175.17 176.33 1uhu h LEU 58 N 8.68 0.02 -0.04 -1.34 5.85 -1.93 0.82 115.31 127.37 1uhu h LEU 58 Ca -0.27 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1uhu h LEU 58 Cb 1.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1uhu h LEU 58 CO 0.89 -0.00 0.02 0.74 -0.34 0.00 0.00 178.44 179.75 1uhu h THR 59 N 0.01 1.04 -0.10 1.05 2.02 -1.99 0.53 112.91 115.48 1uhu h THR 59 Ca 0.70 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.64 1uhu h THR 59 Cb 2.75 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 70.21 1uhu h THR 59 CO -0.03 0.04 -0.47 0.58 0.37 0.00 0.00 175.52 176.01 1uhu h VAL 60 N 0.01 1.33 0.25 3.16 2.07 0.18 -2.80 116.25 120.45 1uhu h VAL 60 Ca 0.01 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1uhu h VAL 60 Cb 0.04 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1uhu h VAL 60 CO -0.00 0.49 -0.12 0.40 0.02 0.00 0.00 177.57 178.36 1uhu h ILE 61 N 0.20 0.81 -0.37 4.57 2.04 -0.46 -2.41 117.51 121.91 1uhu h ILE 61 Ca 0.01 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.52 1uhu h ILE 61 Cb 0.90 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1uhu h ILE 61 CO 0.07 0.10 0.38 -0.26 0.00 0.00 0.00 178.15 178.44 1uhu h PHE 62 N -0.57 0.00 0.14 1.37 -1.00 0.12 0.61 116.94 117.60 1uhu h PHE 62 Ca -0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1uhu h PHE 62 Cb 0.42 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1uhu h PHE 62 CO 0.00 0.00 -0.07 0.93 -1.61 0.00 0.00 178.31 177.57 1uhu h GLU 63 N 0.00 -0.18 -0.14 1.51 4.39 -1.17 0.27 114.58 119.27 1uhu h GLU 63 Ca 0.17 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 1uhu h GLU 63 Cb 0.93 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1uhu h GLU 63 CO -0.00 0.22 -0.53 0.28 -1.16 0.00 0.00 179.01 177.82 1uhu h VAL 64 N -0.63 1.34 -0.52 3.13 2.07 -0.81 -2.94 116.25 117.90 1uhu h VAL 64 Ca -0.02 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 1uhu h VAL 64 Cb 0.48 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1uhu h VAL 64 CO 0.03 0.54 0.03 0.50 0.02 0.00 0.00 177.57 178.69 1uhu h LYS 65 N 0.31 0.89 -0.30 1.57 3.64 0.16 0.57 116.57 123.41 1uhu h LYS 65 Ca 0.01 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1uhu h LYS 65 Cb 1.03 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 1uhu h LYS 65 CO 0.09 0.91 -0.15 0.00 -2.27 0.00 0.00 179.45 178.03 1uhu h ALA 66 N 0.95 0.09 -0.05 5.00 0.00 -0.29 1.78 119.26 126.75 1uhu h ALA 66 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1uhu h ALA 66 Cb 0.49 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1uhu h ALA 66 CO 0.02 -0.54 -0.05 0.82 0.00 0.00 0.00 179.25 179.50 1uhu h ILE 67 N -0.10 1.37 -0.72 0.00 2.04 -1.37 -2.58 117.51 116.15 1uhu h ILE 67 Ca 0.16 -1.20 0.12 0.00 1.00 0.00 0.00 64.86 64.94 1uhu h ILE 67 Cb 0.34 2.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 1uhu h ILE 67 CO -0.36 0.33 0.30 0.58 0.00 0.00 0.00 178.15 178.99 1uhu h VAL 68 N -0.31 0.72 -0.69 1.67 2.07 0.74 0.18 116.25 120.63 1uhu h VAL 68 Ca 0.01 -0.16 -0.43 0.00 0.82 0.00 0.00 66.70 66.94 1uhu h VAL 68 Cb 0.55 0.21 -0.20 0.00 -1.52 0.00 0.00 31.29 30.33 1uhu h VAL 68 CO 0.01 0.09 0.56 0.49 0.02 0.00 0.00 177.57 178.73 1uhu n PHE 69 N -4.97 2.20 -0.88 1.57 3.01 0.60 0.10 117.46 119.09 1uhu n PHE 69 Ca 0.13 -2.08 0.00 0.00 1.01 0.00 0.00 57.45 56.51 1uhu n PHE 69 Cb 0.36 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.81 1uhu n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uhu n GLN 70 N -0.32 0.29 -4.11 -1.08 10.64 0.62 -4.92 117.38 118.51 1uhu n GLN 70 Ca 0.43 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.30 1uhu n GLN 70 Cb 0.85 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 30.15 1uhu n GLN 70 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1uhu s ASP 71 N -1.00 5.16 0.00 2.61 -1.08 -1.26 -4.45 116.67 116.65 1uhu s ASP 71 Ca 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1uhu s ASP 71 Cb 0.00 -1.27 0.00 0.00 -1.46 0.00 0.00 42.92 40.19 1uhu s ASP 71 CO 0.00 0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.47 1uhu n GLY 72 N 0.50 -1.82 0.00 2.66 0.00 -1.26 -4.20 105.19 101.08 1uhu n GLY 72 Ca -0.10 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1uhu n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhu n PRO 73 N 0.00 0.46 -0.06 1.61 -0.04 -1.26 -3.02 135.00 132.69 1uhu n PRO 73 Ca 0.00 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1uhu n PRO 73 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1uhu n PRO 73 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uhu h GLY 74 N 3.76 0.82 -3.08 0.55 0.00 -1.94 -3.45 103.07 99.73 1uhu h GLY 74 Ca 0.00 -0.87 -0.58 0.00 0.00 0.00 0.00 47.33 45.88 1uhu h GLY 74 CO 0.00 0.78 -0.35 -1.14 0.00 0.00 0.00 176.54 175.83 1uhu n SER 75 N -4.02 -0.91 -4.08 0.19 3.41 -1.17 -4.85 113.62 102.19 1uhu n SER 75 Ca -0.03 0.74 -0.35 0.00 -0.26 0.00 0.00 58.87 58.97 1uhu n SER 75 Cb 0.56 -1.19 -0.11 0.00 -0.26 0.00 0.00 64.21 63.21 1uhu n SER 75 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1uhu s HIS 76 N -1.71 3.47 -0.64 7.33 3.76 0.29 -4.90 115.29 122.88 1uhu s HIS 76 Ca 0.69 -2.68 0.25 0.00 -0.15 0.00 0.00 55.06 53.17 1uhu s HIS 76 Cb -0.44 -3.15 0.90 0.00 1.11 0.00 0.00 32.58 31.00 1uhu s HIS 76 CO 0.54 -0.88 1.74 -0.35 -0.85 0.00 0.00 174.74 174.94 1uhu n PRO 77 N 3.86 0.21 0.03 8.40 -0.04 -1.26 0.54 135.00 146.73 1uhu n PRO 77 Ca 0.04 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 1uhu n PRO 77 Cb 0.39 -1.81 -0.14 0.00 -0.04 0.00 0.00 33.50 31.90 1uhu n PRO 77 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1uhu h ASP 78 N 0.00 0.45 1.02 3.54 2.03 -1.97 -3.35 116.42 118.13 1uhu h ASP 78 Ca 0.00 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 1uhu h ASP 78 Cb 0.53 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1uhu h ASP 78 CO 0.00 1.76 -0.70 1.56 -1.03 0.00 0.00 179.24 180.83 1uhu h GLN 79 N 0.08 0.00 -0.63 4.15 4.20 -1.94 -3.36 115.11 117.61 1uhu h GLN 79 Ca -0.38 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.46 1uhu h GLN 79 Cb 2.05 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.72 1uhu h GLN 79 CO 0.12 0.00 -0.05 1.96 -0.67 0.00 0.00 178.83 180.19 1uhu h GLN 80 N 0.00 0.07 0.00 1.46 4.20 -0.05 1.55 115.11 122.34 1uhu h GLN 80 Ca 0.00 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1uhu h GLN 80 Cb 0.86 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1uhu h GLN 80 CO 0.00 0.05 -0.27 -1.00 -0.67 0.00 0.00 178.83 176.94 1uhu h PRO 81 N 0.07 0.00 0.00 1.46 0.13 -1.76 -1.28 132.00 130.62 1uhu h PRO 81 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1uhu h PRO 81 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1uhu h PRO 81 CO -0.58 0.27 -0.03 1.88 -0.23 0.00 0.00 178.00 179.31 1uhu h TYR 82 N 0.00 0.03 -0.24 1.56 -1.99 -0.45 -2.89 116.97 112.99 1uhu h TYR 82 Ca -0.00 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.61 1uhu h TYR 82 Cb 0.96 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.67 1uhu h TYR 82 CO 0.00 0.86 -0.27 0.97 -0.00 0.00 0.00 178.16 179.72 1uhu h ILE 83 N -0.82 1.27 -0.50 -2.88 6.09 0.19 -2.84 117.51 118.02 1uhu h ILE 83 Ca -0.00 -1.30 0.03 0.00 -1.37 0.00 0.00 64.86 62.21 1uhu h ILE 83 Cb 0.87 1.38 -0.04 0.00 0.47 0.00 0.00 36.82 39.51 1uhu h ILE 83 CO 0.01 0.41 0.29 0.74 -3.07 0.00 0.00 178.15 176.52 1uhu h THR 84 N 0.41 1.03 -0.41 2.19 2.02 -1.30 -1.83 112.91 115.01 1uhu h THR 84 Ca 0.06 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1uhu h THR 84 Cb 0.69 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1uhu h THR 84 CO 0.05 0.10 0.08 0.58 0.37 0.00 0.00 175.52 176.71 1uhu h VAL 85 N 0.57 0.78 -0.54 3.16 2.07 -1.28 -0.09 116.25 120.93 1uhu h VAL 85 Ca 0.20 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.75 1uhu h VAL 85 Cb 0.04 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1uhu h VAL 85 CO -0.10 0.04 0.07 -0.50 0.02 0.00 0.00 177.57 177.09 1uhu h TRP 86 N 0.21 0.09 -0.78 1.57 4.06 -1.28 0.98 115.95 120.80 1uhu h TRP 86 Ca 0.20 0.04 0.08 0.00 2.06 0.00 0.00 58.89 61.26 1uhu h TRP 86 Cb 0.24 0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.39 1uhu h TRP 86 CO -0.20 -0.06 0.51 0.37 -3.56 0.00 0.00 178.44 175.49 1uhu h GLN 87 N 0.19 0.76 -0.02 0.49 -0.00 -0.29 0.97 115.11 117.20 1uhu h GLN 87 Ca 0.28 -0.05 -0.20 0.00 -0.00 0.00 0.00 58.65 58.68 1uhu h GLN 87 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1uhu h GLN 87 CO -0.40 0.50 -0.83 0.22 0.00 0.00 0.00 178.83 178.33 1uhu h ASP 88 N 0.79 0.38 0.44 -0.69 3.58 0.13 -2.34 116.42 118.70 1uhu h ASP 88 Ca 0.35 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1uhu h ASP 88 Cb 0.32 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1uhu h ASP 88 CO -0.12 1.06 -0.21 -0.07 -2.88 0.00 0.00 179.24 177.01 1uhu h LEU 89 N 0.19 -0.50 -0.87 2.28 3.38 0.28 0.19 115.31 120.27 1uhu h LEU 89 Ca -0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1uhu h LEU 89 Cb 1.43 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 1uhu h LEU 89 CO 0.13 -0.28 0.52 -0.37 0.09 0.00 0.00 178.44 178.54 1uhu h VAL 90 N -0.68 0.98 0.76 1.22 -1.51 -0.96 0.17 116.25 116.23 1uhu h VAL 90 Ca -0.06 -0.31 -0.03 0.00 -1.23 0.00 0.00 66.70 65.06 1uhu h VAL 90 Cb 0.50 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1uhu h VAL 90 CO 0.10 0.17 -0.41 1.56 -1.23 0.00 0.00 177.57 177.75 1uhu h GLN 91 N 0.91 -1.04 -2.03 5.19 1.08 -1.09 -2.94 115.11 115.19 1uhu h GLN 91 Ca 0.40 0.07 -0.71 0.00 -1.45 0.00 0.00 58.65 56.96 1uhu h GLN 91 Cb 0.28 0.24 -0.24 0.00 -0.05 0.00 0.00 27.48 27.70 1uhu h GLN 91 CO -0.21 -0.69 0.94 0.09 -0.95 0.00 0.00 178.83 178.00 1uhu n ASN 92 N -5.57 7.29 -4.30 1.46 3.02 0.64 -4.98 115.26 112.82 1uhu n ASN 92 Ca -0.14 -3.66 -0.57 0.00 -0.03 0.00 0.00 54.58 50.18 1uhu n ASN 92 Cb 0.44 -1.12 -0.12 0.00 -0.61 0.00 0.00 39.78 38.37 1uhu n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uhu n SER 93 N -0.12 0.83 -4.79 6.41 3.41 0.56 -4.85 113.62 115.06 1uhu n SER 93 Ca 0.53 0.59 -0.29 0.00 -0.26 0.00 0.00 58.87 59.43 1uhu n SER 93 Cb 0.31 -0.94 0.12 0.00 -0.26 0.00 0.00 64.21 63.44 1uhu n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1uhu s PRO 94 N 6.41 1.36 0.41 4.33 0.04 -1.26 -4.79 135.00 141.50 1uhu s PRO 94 Ca 1.21 0.37 0.22 0.00 0.04 0.00 0.00 61.00 62.84 1uhu s PRO 94 Cb -1.40 -1.86 0.64 0.00 0.04 0.00 0.00 34.50 31.92 1uhu s PRO 94 CO 0.62 -2.06 1.70 -1.00 0.04 0.00 0.00 177.00 176.30 1uhu h PRO 95 N -1.40 0.00 -0.00 0.56 0.13 -1.90 0.11 132.00 129.50 1uhu h PRO 95 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1uhu h PRO 95 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uhu h PRO 95 CO 0.61 0.24 -0.01 -2.67 -0.23 0.00 0.00 178.00 175.95 1uhu n TRP 96 N -3.27 0.00 -0.02 1.56 4.27 -1.26 -3.98 117.44 114.73 1uhu n TRP 96 Ca 0.01 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.58 1uhu n TRP 96 Cb 0.52 -0.27 -0.01 0.00 -1.36 0.00 0.00 31.31 30.19 1uhu n TRP 96 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1uhu n ILE 97 N -1.25 1.24 -3.15 -1.67 5.41 -0.89 -4.89 119.36 114.16 1uhu n ILE 97 Ca 0.15 0.26 -0.45 0.00 1.00 0.00 0.00 62.75 63.71 1uhu n ILE 97 Cb 0.24 -1.93 -0.04 0.00 -0.71 0.00 0.00 39.64 37.20 1uhu n ILE 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1uhu s LYS 98 N -2.34 3.15 -0.26 0.38 -0.14 0.34 -4.99 119.74 115.87 1uhu s LYS 98 Ca -0.14 -1.56 0.01 0.00 -1.36 0.00 0.00 55.97 52.92 1uhu s LYS 98 Cb 0.02 -4.35 0.07 0.00 -1.68 0.00 0.00 37.83 31.89 1uhu s LYS 98 CO 0.21 -1.50 -0.04 -1.54 -0.76 0.00 0.00 175.35 171.73 1uhu s SER 99 N 3.45 4.10 0.32 2.83 1.04 -1.26 -4.53 113.70 119.64 1uhu s SER 99 Ca 0.13 -1.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 1uhu s SER 99 Cb -0.22 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1uhu s SER 99 CO 0.02 -0.26 0.56 -0.83 0.98 0.00 0.00 173.24 173.71 1uhu s GLY 100 N 1.29 1.63 0.62 7.32 0.00 -1.26 -5.08 107.32 111.84 1uhu s GLY 100 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 43.85 1uhu s GLY 100 CO -0.08 -0.61 1.05 2.56 0.00 0.00 0.00 173.10 176.02 1uhu s PRO 101 N -3.92 3.25 0.10 2.90 0.04 -1.26 -4.75 135.00 131.36 1uhu s PRO 101 Ca 0.42 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1uhu s PRO 101 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1uhu s PRO 101 CO 0.33 -0.85 0.00 0.45 0.04 0.00 0.00 177.00 176.97 1uhu n SER 102 N -2.34 -7.79 -3.44 6.66 2.88 -1.26 -5.02 113.62 103.31 1uhu n SER 102 Ca 0.08 1.28 -0.28 0.00 -1.33 0.00 0.00 58.87 58.63 1uhu n SER 102 Cb 0.53 -4.31 -0.11 0.00 -0.75 0.00 0.00 64.21 59.57 1uhu n SER 102 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhu s SER 103 N -0.44 2.54 0.00 -3.46 0.15 -1.26 -5.24 113.70 105.98 1uhu s SER 103 Ca 0.00 -2.30 0.00 0.00 0.70 0.00 0.00 55.95 54.35 1uhu s SER 103 Cb 0.00 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1uhu s SER 103 CO 0.00 -0.28 0.07 0.61 1.20 0.00 0.00 173.24 174.84