#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhu n SER 1 N 0.00 5.23 -3.35 1.61 2.88 -1.26 -4.66 113.62 114.08 1uhu n SER 1 Ca 0.00 -2.98 -0.30 0.00 -1.33 0.00 0.00 58.87 54.25 1uhu n SER 1 Cb 0.00 -1.56 0.03 0.00 -0.75 0.00 0.00 64.21 61.93 1uhu n SER 1 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uhu n SER 2 N 5.46 -6.14 -4.47 -3.46 2.88 -1.26 -4.82 113.62 101.81 1uhu n SER 2 Ca 0.37 -0.01 -0.44 0.00 -1.33 0.00 0.00 58.87 57.45 1uhu n SER 2 Cb 0.42 -2.68 -0.01 0.00 -0.75 0.00 0.00 64.21 61.19 1uhu n SER 2 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uhu s GLY 3 N -1.85 2.12 -0.48 0.46 0.00 -1.26 -4.54 107.32 101.76 1uhu s GLY 3 Ca 0.33 -3.05 -0.15 0.00 0.00 0.00 0.00 44.72 41.85 1uhu s GLY 3 CO 0.85 2.10 0.62 1.44 0.00 0.00 0.00 173.10 178.11 1uhu n SER 4 N 6.32 -7.78 -3.71 1.64 7.64 -1.26 -5.02 113.62 111.45 1uhu n SER 4 Ca 0.32 0.40 -0.30 0.00 1.01 0.00 0.00 58.87 60.31 1uhu n SER 4 Cb 0.46 -5.16 -0.15 0.00 -1.01 0.00 0.00 64.21 58.35 1uhu n SER 4 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uhu s SER 5 N -2.61 3.87 -0.13 6.43 0.15 -1.26 -5.10 113.70 115.06 1uhu s SER 5 Ca 0.22 -1.52 -0.06 0.00 0.70 0.00 0.00 55.95 55.29 1uhu s SER 5 Cb -0.06 -0.77 0.05 0.00 -1.71 0.00 0.00 66.02 63.54 1uhu s SER 5 CO 0.77 -0.41 0.29 -0.83 1.20 0.00 0.00 173.24 174.27 1uhu s GLY 6 N 1.71 -0.19 0.25 9.45 0.00 -1.26 -5.13 107.32 112.15 1uhu s GLY 6 Ca 0.09 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.99 1uhu s GLY 6 CO -0.26 1.54 0.36 -0.51 0.00 0.00 0.00 173.10 174.24 1uhu s THR 7 N 1.58 5.11 -0.02 0.90 -4.23 -1.26 -5.03 115.64 112.68 1uhu s THR 7 Ca -0.07 -1.02 -0.23 0.00 -1.18 0.00 0.00 61.69 59.20 1uhu s THR 7 Cb -0.10 -3.79 -0.22 0.00 1.34 0.00 0.00 72.50 69.72 1uhu s THR 7 CO -0.10 -0.32 1.09 1.55 -0.54 0.00 0.00 174.62 176.31 1uhu h PRO 8 N 1.17 0.27 -0.58 3.99 0.13 -1.83 -1.57 132.00 133.58 1uhu h PRO 8 Ca -0.51 -0.26 0.10 0.00 -0.87 0.00 0.00 66.00 64.46 1uhu h PRO 8 Cb 1.23 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 8 CO 0.60 0.95 0.16 1.25 -0.23 0.00 0.00 178.00 180.74 1uhu h LEU 9 N -0.32 0.10 -0.27 1.56 5.85 -1.64 1.19 115.31 121.78 1uhu h LEU 9 Ca -0.04 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1uhu h LEU 9 Cb 1.05 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1uhu h LEU 9 CO 0.07 0.07 0.03 -1.28 -0.34 0.00 0.00 178.44 176.98 1uhu h SER 10 N 0.32 0.44 -0.51 1.25 0.87 -1.82 0.23 113.55 114.34 1uhu h SER 10 Ca 0.30 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1uhu h SER 10 Cb 0.40 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1uhu h SER 10 CO -0.34 0.61 0.32 -0.07 -0.53 0.00 0.00 176.83 176.82 1uhu h LEU 11 N 0.26 0.55 -0.00 2.23 3.38 -0.17 0.73 115.31 122.28 1uhu h LEU 11 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uhu h LEU 11 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1uhu h LEU 11 CO 0.01 0.39 0.00 0.71 0.09 0.00 0.00 178.44 179.64 1uhu h THR 12 N 0.65 1.14 -0.35 0.22 1.35 0.16 -2.22 112.91 113.86 1uhu h THR 12 Ca 0.19 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1uhu h THR 12 Cb -0.04 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1uhu h THR 12 CO -0.06 0.10 0.21 -0.07 -0.25 0.00 0.00 175.52 175.46 1uhu h LEU 13 N -0.16 0.36 -2.17 3.87 -0.00 -0.21 0.11 115.31 117.10 1uhu h LEU 13 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1uhu h LEU 13 Cb 0.17 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1uhu h LEU 13 CO -0.00 0.26 0.29 0.44 -0.00 0.00 0.00 178.44 179.42 1uhu h ASP 14 N 0.44 0.00 -0.83 -0.43 3.32 0.63 0.21 116.42 119.76 1uhu h ASP 14 Ca 0.13 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.67 1uhu h ASP 14 Cb -0.02 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.11 1uhu h ASP 14 CO -0.05 0.00 -0.85 1.41 -1.72 0.00 0.00 179.24 178.03 1uhu n HIS 15 N -3.26 2.63 -0.28 4.55 8.25 0.24 -4.80 115.22 122.54 1uhu n HIS 15 Ca 0.00 -2.36 0.18 0.00 -0.26 0.00 0.00 57.72 55.29 1uhu n HIS 15 Cb 0.38 -0.29 0.47 0.00 1.12 0.00 0.00 29.99 31.67 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 2.31 0.68 -0.56 4.41 -0.00 0.91 0.36 115.95 124.07 1uhu h TRP 16 Ca 0.28 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.28 1uhu h TRP 16 Cb 1.40 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.16 30.29 1uhu h TRP 16 CO 0.79 0.15 0.19 0.77 -0.00 0.00 0.00 178.44 180.35 1uhu h SER 17 N 0.49 0.18 -0.64 2.65 0.02 -1.85 1.02 113.55 115.41 1uhu h SER 17 Ca 0.52 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.48 1uhu h SER 17 Cb 1.17 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1uhu h SER 17 CO -0.24 0.12 0.17 -0.08 -1.14 0.00 0.00 176.83 175.65 1uhu h GLU 18 N 0.37 1.02 -0.38 3.45 4.57 -0.66 0.12 114.58 123.07 1uhu h GLU 18 Ca 0.28 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 1uhu h GLU 18 Cb 0.33 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1uhu h GLU 18 CO -0.29 0.92 -0.17 0.82 -1.18 0.00 0.00 179.01 179.11 1uhu h ILE 19 N 0.94 1.26 0.00 2.32 1.08 -0.31 -0.57 117.51 122.24 1uhu h ILE 19 Ca 0.20 -1.22 -0.10 0.00 -0.39 0.00 0.00 64.86 63.36 1uhu h ILE 19 Cb 0.35 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1uhu h ILE 19 CO 0.00 0.41 -0.47 0.03 -0.69 0.00 0.00 178.15 177.43 1uhu h ARG 20 N 0.62 0.00 -0.01 2.37 3.08 0.15 -2.83 114.38 117.76 1uhu h ARG 20 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1uhu h ARG 20 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1uhu h ARG 20 CO 0.04 0.47 -0.11 0.77 -1.07 0.00 0.00 179.97 180.07 1uhu h SER 21 N 0.00 0.12 -0.74 7.04 0.02 -0.18 -2.76 113.55 117.05 1uhu h SER 21 Ca -0.00 -0.70 0.16 0.00 -0.84 0.00 0.00 61.79 60.41 1uhu h SER 21 Cb 0.94 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 1uhu h SER 21 CO 0.06 0.80 0.50 0.03 -1.14 0.00 0.00 176.83 177.08 1uhu h ARG 22 N -0.55 0.32 -0.11 3.45 2.47 -1.09 0.47 114.38 119.35 1uhu h ARG 22 Ca -0.01 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.55 1uhu h ARG 22 Cb 0.81 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1uhu h ARG 22 CO 0.02 0.21 -0.55 0.00 0.56 0.00 0.00 179.97 180.22 1uhu h ALA 23 N 1.65 0.85 -0.48 0.04 0.00 -1.47 -0.14 119.26 119.72 1uhu h ALA 23 Ca 0.36 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1uhu h ALA 23 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1uhu h ALA 23 CO -0.10 0.69 -0.12 1.25 0.00 0.00 0.00 179.25 180.97 1uhu h HIS 24 N 0.25 1.04 0.00 0.00 6.17 0.17 1.26 115.15 124.04 1uhu h HIS 24 Ca 0.00 -0.23 -0.11 0.00 0.71 0.00 0.00 60.37 60.75 1uhu h HIS 24 Cb 1.05 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.71 1uhu h HIS 24 CO 0.03 1.01 -0.51 -0.97 0.71 0.00 0.00 177.93 178.19 1uhu h ASN 25 N 0.78 0.00 0.51 3.26 -0.73 -0.96 -2.36 115.58 116.08 1uhu h ASN 25 Ca 0.12 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1uhu h ASN 25 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1uhu h ASN 25 CO 0.05 0.51 -0.37 0.18 -0.37 0.00 0.00 177.43 177.43 1uhu n LEU 26 N -3.66 0.52 -2.75 0.34 4.77 -0.08 -4.95 117.00 111.19 1uhu n LEU 26 Ca -0.01 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1uhu n LEU 26 Cb 0.58 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1uhu n LEU 26 CO 0.40 0.12 0.07 -1.20 -1.33 0.00 0.00 177.39 175.44 1uhu n SER 27 N -1.32 -2.58 -3.88 -1.43 7.64 0.22 -5.03 113.62 107.24 1uhu n SER 27 Ca 0.07 -0.46 -0.11 0.00 1.01 0.00 0.00 58.87 59.39 1uhu n SER 27 Cb 0.33 -3.84 -0.10 0.00 -1.01 0.00 0.00 64.21 59.59 1uhu n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1uhu s VAL 28 N -3.26 0.10 0.01 0.44 -7.23 0.37 -5.00 120.40 105.82 1uhu s VAL 28 Ca 0.05 -0.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1uhu s VAL 28 Cb -0.01 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1uhu s VAL 28 CO 0.53 -0.44 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.05 1uhu s GLU 29 N -1.74 2.35 0.19 4.82 2.12 -1.26 -3.95 118.70 121.22 1uhu s GLU 29 Ca -0.12 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.34 1uhu s GLU 29 Cb -0.06 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 1uhu s GLU 29 CO -0.00 0.58 0.23 0.96 -0.54 0.00 0.00 175.26 176.49 1uhu s ILE 30 N -0.91 0.03 0.36 -3.70 -4.36 -1.26 -4.93 121.20 106.43 1uhu s ILE 30 Ca 0.15 -1.73 0.09 0.00 -0.26 0.00 0.00 60.65 58.89 1uhu s ILE 30 Cb -0.11 -2.23 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 1uhu s ILE 30 CO 0.05 -0.13 -0.01 -0.54 0.24 0.00 0.00 174.94 174.55 1uhu s LYS 31 N -4.07 1.98 0.03 0.37 -0.14 -1.26 -5.03 119.74 111.62 1uhu s LYS 31 Ca 0.29 -1.88 0.23 0.00 -1.36 0.00 0.00 55.97 53.25 1uhu s LYS 31 Cb 0.05 -1.81 0.16 0.00 -1.68 0.00 0.00 37.83 34.54 1uhu s LYS 31 CO 0.07 0.09 1.14 1.17 -0.76 0.00 0.00 175.35 177.06 1uhu n LYS 32 N -0.93 0.16 -0.07 1.68 4.81 -1.26 -2.87 118.16 119.68 1uhu n LYS 32 Ca -0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.25 1uhu n LYS 32 Cb 0.64 -1.56 -0.13 0.00 0.02 0.00 0.00 35.03 34.00 1uhu n LYS 32 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1uhu h GLY 33 N 4.75 0.00 1.47 3.14 0.00 -2.00 -3.29 103.07 107.14 1uhu h GLY 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1uhu h GLY 33 CO 0.00 0.00 -0.88 -0.56 0.00 0.00 0.00 176.54 175.10 1uhu h PRO 34 N -1.00 0.49 -1.01 4.80 0.13 -1.99 -2.27 132.00 131.16 1uhu h PRO 34 Ca -0.05 -0.48 0.23 0.00 -0.87 0.00 0.00 66.00 64.83 1uhu h PRO 34 Cb 1.03 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1uhu h PRO 34 CO -0.03 1.12 0.61 2.35 -0.23 0.00 0.00 178.00 181.82 1uhu h TRP 35 N 0.30 0.98 0.00 1.56 2.91 -1.69 1.44 115.95 121.45 1uhu h TRP 35 Ca -0.07 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1uhu h TRP 35 Cb 1.50 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 1uhu h TRP 35 CO 0.06 0.13 -0.02 -0.09 -1.03 0.00 0.00 178.44 177.49 1uhu h ARG 36 N 0.62 0.01 -0.23 2.65 2.43 -1.61 -3.01 114.38 115.25 1uhu h ARG 36 Ca 0.61 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.82 1uhu h ARG 36 Cb 1.14 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 1uhu h ARG 36 CO -0.41 0.88 -0.10 1.15 -1.51 0.00 0.00 179.97 179.99 1uhu h THR 37 N -0.86 0.68 -0.65 0.20 2.02 -0.51 0.97 112.91 114.76 1uhu h THR 37 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1uhu h THR 37 Cb 0.89 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1uhu h THR 37 CO 0.00 0.00 0.44 -0.26 0.37 0.00 0.00 175.52 176.07 1uhu h PHE 38 N -0.07 0.45 -0.70 3.16 0.04 0.18 0.71 116.94 120.71 1uhu h PHE 38 Ca 0.12 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1uhu h PHE 38 Cb 0.25 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1uhu h PHE 38 CO -0.27 0.20 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 1uhu n ALA 40 N 1.39 0.79 -2.58 0.00 0.00 0.32 -4.66 120.51 115.77 1uhu n ALA 40 Ca 0.26 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1uhu n ALA 40 Cb 0.79 -0.09 0.10 0.00 0.00 0.00 0.00 19.45 20.25 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 -4.46 -1.26 -0.03 0.00 2.88 -0.82 -4.88 113.62 105.06 1uhu n SER 41 Ca -0.24 -2.18 -0.05 0.00 -1.33 0.00 0.00 58.87 55.06 1uhu n SER 41 Cb 0.55 0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 64.57 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 -1.28 0.11 0.00 -1.46 4.07 -1.13 -4.31 120.64 116.64 1uhu n GLU 42 Ca -0.18 0.05 -0.17 0.00 -0.06 0.00 0.00 57.16 56.79 1uhu n GLU 42 Cb 0.85 -0.68 -0.11 0.00 -0.06 0.00 0.00 31.44 31.44 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 -0.18 0.58 0.00 4.31 6.55 -1.12 -3.04 115.95 123.05 1uhu h TRP 43 Ca -0.13 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.39 1uhu h TRP 43 Cb 1.11 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1uhu h TRP 43 CO -0.02 1.14 0.00 -0.35 -1.05 0.00 0.00 178.44 178.17 1uhu n PRO 44 N -4.23 0.75 -0.46 0.49 -0.04 -1.26 -2.27 135.00 127.97 1uhu n PRO 44 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1uhu n PRO 44 Cb 0.67 -1.44 0.26 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.94 2.27 0.13 0.52 -2.24 -1.15 -4.38 114.28 108.49 1uhu n THR 45 Ca 0.16 -1.83 0.10 0.00 -2.27 0.00 0.00 64.05 60.21 1uhu n THR 45 Cb 0.07 -0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.42 0.53 -3.21 4.78 3.01 -0.96 -4.96 117.46 116.23 1uhu n PHE 46 Ca 0.21 -0.31 -0.22 0.00 1.01 0.00 0.00 57.45 58.15 1uhu n PHE 46 Cb 0.89 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.38 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 1.31 -6.58 0.20 4.37 8.00 -1.26 -4.93 116.55 117.66 1uhu n ASP 47 Ca 0.18 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1uhu n ASP 47 Cb 0.56 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uhu n VAL 48 N 0.06 0.00 0.00 2.53 0.24 -1.26 -5.06 118.33 114.84 1uhu n VAL 48 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1uhu n VAL 48 Cb 0.54 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 -0.25 0.00 3.53 7.63 0.00 -1.26 -5.15 105.19 109.69 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 3.14 0.80 1.61 -0.11 -1.26 -4.95 118.94 118.17 1uhu s TRP 50 Ca 0.00 -0.20 -0.12 0.00 1.22 0.00 0.00 56.10 57.01 1uhu s TRP 50 Cb 0.00 -2.13 0.07 0.00 -1.50 0.00 0.00 33.47 29.91 1uhu s TRP 50 CO 0.00 -0.10 1.10 -1.25 -4.62 0.00 0.00 176.95 172.08 1uhu s PRO 51 N 0.92 2.04 0.14 5.86 0.04 -1.26 -4.23 135.00 138.51 1uhu s PRO 51 Ca 0.03 0.61 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 1uhu s PRO 51 Cb -0.14 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1uhu s PRO 51 CO 0.03 -1.65 1.34 -1.00 0.04 0.00 0.00 177.00 175.75 1uhu h PRO 52 N -1.11 0.45 0.00 0.56 0.13 -1.89 -3.10 132.00 127.04 1uhu h PRO 52 Ca -0.47 -0.44 -0.03 0.00 -0.87 0.00 0.00 66.00 64.18 1uhu h PRO 52 Cb 1.27 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1uhu h PRO 52 CO 0.59 1.09 -0.17 0.93 -0.23 0.00 0.00 178.00 180.22 1uhu h GLU 53 N 0.27 0.00 0.00 0.86 4.39 -1.94 -3.42 114.58 114.75 1uhu h GLU 53 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1uhu h GLU 53 Cb 1.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1uhu h GLU 53 CO 0.15 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.58 1uhu n GLY 54 N 0.77 1.13 3.53 -3.84 0.00 -1.17 -1.63 105.19 103.98 1uhu n GLY 54 Ca 0.02 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.53 0.00 -0.63 2.61 -1.32 -1.26 -4.67 115.64 108.84 1uhu s THR 55 Ca 0.00 -0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 1uhu s THR 55 Cb 0.00 -0.88 0.35 0.00 -1.51 0.00 0.00 72.50 70.46 1uhu s THR 55 CO 0.00 -0.00 2.10 0.49 -2.21 0.00 0.00 174.62 174.99 1uhu n PHE 56 N 2.62 2.74 -3.92 9.09 3.72 -1.26 -4.82 117.46 125.63 1uhu n PHE 56 Ca -0.14 -2.60 -0.35 0.00 -0.05 0.00 0.00 57.45 54.31 1uhu n PHE 56 Cb 0.56 -1.31 -0.08 0.00 -0.94 0.00 0.00 39.48 37.71 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 -1.12 5.93 0.41 4.37 -1.08 -1.26 -4.74 116.67 119.17 1uhu s ASP 57 Ca 0.56 0.21 0.21 0.00 -0.52 0.00 0.00 52.55 53.00 1uhu s ASP 57 Cb 0.44 -1.99 0.81 0.00 -1.46 0.00 0.00 42.92 40.72 1uhu s ASP 57 CO -0.12 0.23 1.79 0.25 0.52 0.00 0.00 175.17 177.85 1uhu h LEU 58 N 6.27 0.00 0.07 -1.34 7.12 -1.95 0.14 115.31 125.62 1uhu h LEU 58 Ca -0.42 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.58 1uhu h LEU 58 Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1uhu h LEU 58 CO 0.69 0.30 -0.04 0.74 -0.13 0.00 0.00 178.44 180.01 1uhu h THR 59 N 0.00 1.17 -0.37 1.05 2.02 -1.99 -1.62 112.91 113.18 1uhu h THR 59 Ca -0.00 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.64 1uhu h THR 59 Cb 0.80 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1uhu h THR 59 CO 0.04 0.33 -0.15 0.58 0.37 0.00 0.00 175.52 176.69 1uhu h VAL 60 N -0.82 1.25 -0.43 3.16 2.07 -1.92 -2.25 116.25 117.32 1uhu h VAL 60 Ca -0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1uhu h VAL 60 Cb 0.61 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1uhu h VAL 60 CO 0.02 0.39 0.23 0.40 0.02 0.00 0.00 177.57 178.63 1uhu h ILE 61 N 0.61 1.16 -0.32 4.57 2.04 -0.78 -2.00 117.51 122.78 1uhu h ILE 61 Ca 0.10 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1uhu h ILE 61 Cb 0.59 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1uhu h ILE 61 CO 0.04 0.17 0.16 -0.26 0.00 0.00 0.00 178.15 178.26 1uhu h PHE 62 N 0.55 0.42 0.12 1.37 -1.00 -0.97 0.27 116.94 117.70 1uhu h PHE 62 Ca 0.15 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1uhu h PHE 62 Cb 0.07 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1uhu h PHE 62 CO -0.02 0.31 -0.12 0.93 -1.61 0.00 0.00 178.31 177.80 1uhu h GLU 63 N 0.44 -0.26 -0.24 1.51 5.08 -0.78 0.66 114.58 120.98 1uhu h GLU 63 Ca 0.11 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1uhu h GLU 63 Cb 0.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1uhu h GLU 63 CO -0.02 -0.17 -0.31 0.28 -1.00 0.00 0.00 179.01 177.79 1uhu h VAL 64 N -0.27 1.28 -0.51 3.13 2.07 -1.20 -2.50 116.25 118.25 1uhu h VAL 64 Ca 0.01 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 1uhu h VAL 64 Cb 0.26 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1uhu h VAL 64 CO -0.04 0.44 0.08 0.50 0.02 0.00 0.00 177.57 178.58 1uhu h LYS 65 N 0.43 0.80 0.32 1.57 3.64 -0.37 0.59 116.57 123.56 1uhu h LYS 65 Ca 0.05 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1uhu h LYS 65 Cb 0.76 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1uhu h LYS 65 CO 0.06 0.75 -0.19 0.00 -2.27 0.00 0.00 179.45 177.81 1uhu h ALA 66 N 1.33 -0.48 -0.57 5.00 0.00 0.75 1.47 119.26 126.76 1uhu h ALA 66 Ca 0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1uhu h ALA 66 Cb 0.34 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1uhu h ALA 66 CO 0.01 -0.78 0.02 0.82 0.00 0.00 0.00 179.25 179.32 1uhu h ILE 67 N -0.49 1.26 -0.27 0.00 2.04 -1.25 -2.35 117.51 116.46 1uhu h ILE 67 Ca -0.04 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1uhu h ILE 67 Cb 0.39 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1uhu h ILE 67 CO 0.04 0.40 0.16 0.58 0.00 0.00 0.00 178.15 179.33 1uhu h VAL 68 N 0.87 1.10 -1.45 1.67 2.07 0.52 -2.70 116.25 118.33 1uhu h VAL 68 Ca 0.16 -0.24 -0.63 0.00 0.82 0.00 0.00 66.70 66.81 1uhu h VAL 68 Cb 0.52 0.77 -0.23 0.00 -1.52 0.00 0.00 31.29 30.83 1uhu h VAL 68 CO 0.03 0.10 0.77 0.49 0.02 0.00 0.00 177.57 178.97 1uhu n PHE 69 N -4.86 2.43 -2.82 1.57 3.01 0.50 0.10 117.46 117.40 1uhu n PHE 69 Ca -0.02 -2.25 -0.21 0.00 1.01 0.00 0.00 57.45 55.98 1uhu n PHE 69 Cb 0.05 -1.27 0.07 0.00 -0.01 0.00 0.00 39.48 38.32 1uhu n PHE 69 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1uhu s GLN 70 N -3.07 2.18 -0.07 -1.08 -2.07 -0.90 -4.86 119.66 109.78 1uhu s GLN 70 Ca 0.54 -1.28 -0.11 0.00 -1.82 0.00 0.00 55.36 52.69 1uhu s GLN 70 Cb 0.41 -2.53 -0.05 0.00 -1.09 0.00 0.00 33.01 29.76 1uhu s GLN 70 CO -0.27 -0.97 0.27 0.34 -1.32 0.00 0.00 175.29 173.34 1uhu s ASP 71 N -4.62 6.58 0.00 12.60 2.15 -1.26 -4.21 116.67 127.91 1uhu s ASP 71 Ca 0.62 0.69 0.00 0.00 0.43 0.00 0.00 52.55 54.29 1uhu s ASP 71 Cb -0.07 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1uhu s ASP 71 CO 0.40 0.35 0.00 0.61 -0.17 0.00 0.00 175.17 176.36 1uhu n GLY 72 N 2.02 -1.02 0.00 2.66 0.00 -1.26 -4.55 105.19 103.03 1uhu n GLY 72 Ca -0.17 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.06 0.43 0.06 1.61 -0.04 -1.26 -2.88 135.00 132.86 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 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 3.73 0.43 -3.52 0.55 0.00 -1.91 -3.46 103.07 98.89 1uhu h GLY 74 Ca 0.00 -0.68 -0.59 0.00 0.00 0.00 0.00 47.33 46.06 1uhu h GLY 74 CO 0.00 0.61 -0.79 1.44 0.00 0.00 0.00 176.54 177.80 1uhu n SER 75 N -3.77 -2.41 -4.04 0.19 7.64 -1.14 -4.87 113.62 105.22 1uhu n SER 75 Ca -0.05 0.68 -0.34 0.00 1.01 0.00 0.00 58.87 60.17 1uhu n SER 75 Cb 0.78 -1.01 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1uhu n SER 75 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1uhu s HIS 76 N -1.87 3.34 -0.41 1.43 3.76 0.28 -4.90 115.29 116.93 1uhu s HIS 76 Ca 0.62 -2.89 0.27 0.00 -0.15 0.00 0.00 55.06 52.91 1uhu s HIS 76 Cb -0.46 -3.05 0.89 0.00 1.11 0.00 0.00 32.58 31.07 1uhu s HIS 76 CO 0.61 -0.81 1.77 -1.00 -0.85 0.00 0.00 174.74 174.46 1uhu h PRO 77 N 6.88 0.00 0.09 8.40 0.13 -1.92 0.47 132.00 146.05 1uhu h PRO 77 Ca -0.04 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.76 1uhu h PRO 77 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1uhu h PRO 77 CO 0.70 0.00 -1.77 -0.44 -0.23 0.00 0.00 178.00 176.26 1uhu h ASP 78 N 0.00 0.30 1.02 1.44 5.19 -1.96 -3.34 116.42 119.07 1uhu h ASP 78 Ca 0.00 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 1uhu h ASP 78 Cb 0.64 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1uhu h ASP 78 CO 0.00 1.50 -0.72 1.56 -3.12 0.00 0.00 179.24 178.45 1uhu h GLN 79 N 0.05 0.00 -0.62 3.56 4.20 -1.94 -3.36 115.11 117.01 1uhu h GLN 79 Ca -0.33 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.51 1uhu h GLN 79 Cb 2.03 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.70 1uhu h GLN 79 CO 0.11 0.00 -0.01 1.96 -0.67 0.00 0.00 178.83 180.22 1uhu h GLN 80 N 0.00 0.10 0.00 1.46 4.20 -0.17 1.33 115.11 122.03 1uhu h GLN 80 Ca 0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1uhu h GLN 80 Cb 0.87 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1uhu h GLN 80 CO 0.00 0.07 -0.24 -1.00 -0.67 0.00 0.00 178.83 176.99 1uhu h PRO 81 N 0.11 0.00 0.01 1.46 0.13 -1.76 -1.25 132.00 130.69 1uhu h PRO 81 Ca 0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.42 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 -0.54 0.24 -0.11 1.88 -0.23 0.00 0.00 178.00 179.25 1uhu h TYR 82 N 0.00 0.10 -0.38 1.56 -1.99 -0.54 -3.00 116.97 112.72 1uhu h TYR 82 Ca -0.00 -0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 1uhu h TYR 82 Cb 0.94 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1uhu h TYR 82 CO 0.00 0.90 -0.24 0.97 -0.00 0.00 0.00 178.16 179.79 1uhu h ILE 83 N -0.73 1.27 -0.28 -2.88 6.09 0.15 -2.95 117.51 118.18 1uhu h ILE 83 Ca -0.02 -1.36 0.06 0.00 -1.37 0.00 0.00 64.86 62.18 1uhu h ILE 83 Cb 0.93 1.24 -0.06 0.00 0.47 0.00 0.00 36.82 39.40 1uhu h ILE 83 CO 0.02 0.45 -0.12 0.74 -3.07 0.00 0.00 178.15 176.17 1uhu h THR 84 N 0.66 0.61 -0.58 2.19 2.02 -1.31 -0.64 112.91 115.86 1uhu h THR 84 Ca 0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.35 1uhu h THR 84 Cb 0.75 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1uhu h THR 84 CO 0.06 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.76 1uhu h VAL 85 N -0.08 0.80 -0.74 3.16 2.07 -1.41 0.12 116.25 120.17 1uhu h VAL 85 Ca 0.14 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1uhu h VAL 85 Cb 0.30 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1uhu h VAL 85 CO -0.33 0.08 0.33 -0.50 0.02 0.00 0.00 177.57 177.17 1uhu h TRP 86 N 0.42 0.57 -0.58 1.57 4.06 -1.03 0.37 115.95 121.34 1uhu h TRP 86 Ca 0.29 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.28 1uhu h TRP 86 Cb 0.33 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 1uhu h TRP 86 CO -0.16 0.13 0.38 0.37 -3.56 0.00 0.00 178.44 175.60 1uhu h GLN 87 N 0.51 0.75 -0.72 0.49 4.15 0.58 -1.52 115.11 119.36 1uhu h GLN 87 Ca 0.39 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 1uhu h GLN 87 Cb 0.54 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1uhu h GLN 87 CO -0.35 0.50 0.31 0.22 -1.93 0.00 0.00 178.83 177.58 1uhu h ASP 88 N 0.78 0.95 0.04 -0.69 1.82 0.69 0.34 116.42 120.33 1uhu h ASP 88 Ca 0.21 -0.12 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1uhu h ASP 88 Cb -0.08 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.66 1uhu h ASP 88 CO -0.05 0.82 -0.14 -0.07 -1.61 0.00 0.00 179.24 178.19 1uhu h LEU 89 N 1.03 -0.41 0.62 2.28 3.38 0.50 0.08 115.31 122.79 1uhu h LEU 89 Ca 0.24 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1uhu h LEU 89 Cb 0.15 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1uhu h LEU 89 CO -0.03 -0.20 -0.30 0.58 0.09 0.00 0.00 178.44 178.58 1uhu h VAL 90 N -0.26 0.24 -0.89 1.22 2.07 -0.93 -1.16 116.25 116.54 1uhu h VAL 90 Ca 0.04 -0.30 0.14 0.00 0.82 0.00 0.00 66.70 67.39 1uhu h VAL 90 Cb 0.30 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 30.25 1uhu h VAL 90 CO -0.12 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.15 1uhu n GLN 91 N -5.37 -0.22 -2.99 1.57 6.02 0.12 -0.75 117.38 115.75 1uhu n GLN 91 Ca -0.12 1.37 -0.33 0.00 -0.01 0.00 0.00 57.00 57.92 1uhu n GLN 91 Cb 0.36 -2.04 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 1uhu n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uhu n ASN 92 N -5.31 5.28 -4.24 1.08 3.02 0.01 -5.04 115.26 110.05 1uhu n ASN 92 Ca 0.09 -3.59 -0.61 0.00 -0.03 0.00 0.00 54.58 50.44 1uhu n ASN 92 Cb 0.35 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.28 0.99 -4.80 6.41 3.41 0.07 -4.79 113.62 115.19 1uhu n SER 93 Ca 0.34 0.96 -0.30 0.00 -0.26 0.00 0.00 58.87 59.61 1uhu n SER 93 Cb 0.36 -0.82 0.11 0.00 -0.26 0.00 0.00 64.21 63.59 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 3.61 1.78 0.37 4.33 0.04 -1.25 -4.81 135.00 139.07 1uhu s PRO 94 Ca 1.01 0.53 0.20 0.00 0.04 0.00 0.00 61.00 62.78 1uhu s PRO 94 Cb -1.38 -1.89 0.55 0.00 0.04 0.00 0.00 34.50 31.82 1uhu s PRO 94 CO 0.71 -1.81 1.67 -1.00 0.04 0.00 0.00 177.00 176.61 1uhu h PRO 95 N -1.22 0.00 -0.00 0.56 0.13 -1.90 0.18 132.00 129.74 1uhu h PRO 95 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1uhu h PRO 95 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uhu h PRO 95 CO 0.60 0.33 -0.01 -2.67 -0.23 0.00 0.00 178.00 176.03 1uhu n TRP 96 N -3.34 0.00 -0.08 1.56 4.27 -1.26 -3.82 117.44 114.77 1uhu n TRP 96 Ca 0.01 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.47 1uhu n TRP 96 Cb 0.55 -0.38 -0.05 0.00 -1.36 0.00 0.00 31.31 30.07 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 -1.38 1.26 -3.89 -1.67 5.41 -0.91 -5.02 119.36 113.16 1uhu n ILE 97 Ca 0.11 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1uhu n ILE 97 Cb 0.29 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 1uhu n ILE 97 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1uhu n LYS 98 N -4.04 0.71 -3.61 0.38 5.02 0.57 -5.01 118.16 112.19 1uhu n LYS 98 Ca -0.26 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.85 1uhu n LYS 98 Cb 0.59 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.45 1uhu n LYS 98 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uhu s SER 99 N -0.78 1.16 0.00 4.39 0.15 -1.26 -3.98 113.70 113.38 1uhu s SER 99 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1uhu s SER 99 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1uhu s SER 99 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1uhu n GLY 100 N 5.32 2.24 0.39 9.45 0.00 -1.26 -5.08 105.19 116.24 1uhu n GLY 100 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.26 1uhu n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uhu n PRO 101 N 1.84 -0.67 -3.95 1.61 -0.04 -1.26 -5.03 135.00 127.49 1uhu n PRO 101 Ca 0.00 -0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1uhu n PRO 101 Cb 0.00 -0.16 -0.14 0.00 -0.04 0.00 0.00 33.50 33.16 1uhu n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uhu s SER 102 N -1.66 4.48 0.02 3.54 0.15 -1.26 -5.10 113.70 113.88 1uhu s SER 102 Ca 0.08 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 55.71 1uhu s SER 102 Cb -0.00 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1uhu s SER 102 CO 0.06 -0.17 0.04 -0.94 1.20 0.00 0.00 173.24 173.43 1uhu s SER 103 N 1.29 5.36 0.00 5.45 1.04 -1.26 -5.25 113.70 120.32 1uhu s SER 103 Ca -0.02 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1uhu s SER 103 Cb -0.18 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.50 1uhu s SER 103 CO -0.04 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.04