#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 3.39 0.39 1.61 1.04 -1.26 -5.15 113.70 113.72 1uhu s SER 1 Ca 0.00 -1.03 0.08 0.00 0.48 0.00 0.00 55.95 55.48 1uhu s SER 1 Cb 0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1uhu s SER 1 CO 0.00 -0.01 0.21 -0.44 0.98 0.00 0.00 173.24 173.98 1uhu s SER 2 N -3.47 4.62 0.00 7.02 0.01 -1.26 -5.15 113.70 115.47 1uhu s SER 2 Ca 0.29 -0.93 -0.08 0.00 1.31 0.00 0.00 55.95 56.53 1uhu s SER 2 Cb -0.04 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1uhu s SER 2 CO 0.13 -0.50 0.16 -0.83 0.41 0.00 0.00 173.24 172.62 1uhu s GLY 3 N -3.94 0.02 -0.58 3.44 0.00 -1.26 -5.12 107.32 99.89 1uhu s GLY 3 Ca 0.42 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 1uhu s GLY 3 CO 0.24 -0.22 0.47 -0.56 0.00 0.00 0.00 173.10 173.03 1uhu s SER 4 N -1.39 5.95 0.23 1.64 0.01 -1.26 -4.63 113.70 114.26 1uhu s SER 4 Ca -0.15 -2.16 0.00 0.00 1.31 0.00 0.00 55.95 54.95 1uhu s SER 4 Cb -0.07 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1uhu s SER 4 CO 0.02 -0.66 0.00 -1.54 0.41 0.00 0.00 173.24 171.47 1uhu n SER 5 N 4.61 -2.03 -4.69 2.44 3.41 -1.26 -5.11 113.62 111.00 1uhu n SER 5 Ca -0.03 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 1uhu n SER 5 Cb 0.41 2.09 -0.03 0.00 -0.26 0.00 0.00 64.21 66.43 1uhu n SER 5 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uhu s GLY 6 N -1.71 1.95 0.25 5.00 0.00 -1.26 -5.02 107.32 106.52 1uhu s GLY 6 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.54 1uhu s GLY 6 CO 0.00 2.40 0.37 -0.51 0.00 0.00 0.00 173.10 175.36 1uhu s THR 7 N 2.35 5.17 -0.02 0.90 -4.23 -1.26 -5.03 115.64 113.53 1uhu s THR 7 Ca 0.61 -0.98 -0.22 0.00 -1.18 0.00 0.00 61.69 59.91 1uhu s THR 7 Cb -0.29 -3.83 -0.22 0.00 1.34 0.00 0.00 72.50 69.50 1uhu s THR 7 CO 0.24 -0.32 1.10 1.55 -0.54 0.00 0.00 174.62 176.65 1uhu h PRO 8 N 1.14 0.30 -0.57 3.99 0.13 -1.84 -1.36 132.00 133.80 1uhu h PRO 8 Ca -0.52 -0.29 0.09 0.00 -0.87 0.00 0.00 66.00 64.41 1uhu h PRO 8 Cb 1.23 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1uhu h PRO 8 CO 0.60 0.98 0.18 1.25 -0.23 0.00 0.00 178.00 180.78 1uhu h LEU 9 N -0.27 0.13 -0.43 1.56 5.85 -1.72 0.74 115.31 121.18 1uhu h LEU 9 Ca -0.04 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1uhu h LEU 9 Cb 1.09 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1uhu h LEU 9 CO 0.08 0.09 -0.06 -1.28 -0.34 0.00 0.00 178.44 176.93 1uhu h SER 10 N 0.34 0.79 -0.82 1.25 0.87 -1.82 0.44 113.55 114.60 1uhu h SER 10 Ca 0.29 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1uhu h SER 10 Cb 0.37 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1uhu h SER 10 CO -0.32 0.94 0.52 -0.07 -0.53 0.00 0.00 176.83 177.37 1uhu h LEU 11 N 0.62 0.96 -0.02 2.23 3.38 0.01 1.31 115.31 123.80 1uhu h LEU 11 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1uhu h LEU 11 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uhu h LEU 11 CO 0.03 0.71 -0.12 0.71 0.09 0.00 0.00 178.44 179.87 1uhu h THR 12 N 1.12 1.53 -0.42 0.22 1.35 0.75 -2.66 112.91 114.79 1uhu h THR 12 Ca 0.30 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1uhu h THR 12 Cb -0.09 2.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1uhu h THR 12 CO -0.06 0.46 0.22 -0.07 -0.25 0.00 0.00 175.52 175.83 1uhu h LEU 13 N -0.54 0.54 -0.80 3.87 3.38 0.18 -0.34 115.31 121.60 1uhu h LEU 13 Ca -0.01 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1uhu h LEU 13 Cb 0.82 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1uhu h LEU 13 CO 0.02 0.48 0.40 0.44 0.09 0.00 0.00 178.44 179.88 1uhu h ASP 14 N 0.55 0.49 -0.95 -0.43 5.19 0.16 0.14 116.42 121.57 1uhu h ASP 14 Ca 0.15 0.08 -0.63 0.00 -0.62 0.00 0.00 57.03 56.01 1uhu h ASP 14 Cb 0.07 0.01 -0.30 0.00 0.18 0.00 0.00 39.33 39.29 1uhu h ASP 14 CO -0.02 0.23 0.63 1.41 -3.12 0.00 0.00 179.24 178.37 1uhu n HIS 15 N -4.88 3.11 -0.34 4.55 8.25 -0.84 -4.65 115.22 120.42 1uhu n HIS 15 Ca 0.15 -2.78 0.22 0.00 -0.26 0.00 0.00 57.72 55.05 1uhu n HIS 15 Cb 0.38 -1.25 0.48 0.00 1.12 0.00 0.00 29.99 30.71 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 1.89 0.80 -0.92 4.41 -0.00 0.10 1.09 115.95 123.32 1uhu h TRP 16 Ca 0.57 0.03 0.13 0.00 -0.00 0.00 0.00 58.89 59.63 1uhu h TRP 16 Cb 1.13 -0.23 -0.09 0.00 -0.00 0.00 0.00 29.16 29.98 1uhu h TRP 16 CO 1.38 0.01 0.54 0.77 -0.00 0.00 0.00 178.44 181.14 1uhu h SER 17 N 0.42 0.74 0.00 2.65 0.02 -1.83 0.70 113.55 116.25 1uhu h SER 17 Ca 0.65 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.67 1uhu h SER 17 Cb 1.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1uhu h SER 17 CO -0.40 0.36 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.56 1uhu h GLU 18 N 0.81 -0.00 -0.80 3.45 4.81 0.85 -2.26 114.58 121.44 1uhu h GLU 18 Ca 0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.81 1uhu h GLU 18 Cb 0.58 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 1uhu h GLU 18 CO -0.31 0.55 0.52 0.82 -0.73 0.00 0.00 179.01 179.87 1uhu h ILE 19 N -0.56 0.93 -0.22 2.32 1.08 -0.43 0.21 117.51 120.84 1uhu h ILE 19 Ca -0.00 -0.24 -0.09 0.00 -0.39 0.00 0.00 64.86 64.14 1uhu h ILE 19 Cb 0.56 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1uhu h ILE 19 CO 0.00 0.13 -0.25 0.03 -0.69 0.00 0.00 178.15 177.37 1uhu h ARG 20 N 0.71 0.41 -0.36 2.37 3.08 0.46 -2.69 114.38 118.35 1uhu h ARG 20 Ca 0.37 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 1uhu h ARG 20 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1uhu h ARG 20 CO -0.14 0.63 -0.39 0.77 -1.07 0.00 0.00 179.97 179.77 1uhu h SER 21 N 0.37 0.93 -0.42 7.04 0.02 -0.04 -2.60 113.55 118.84 1uhu h SER 21 Ca 0.06 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1uhu h SER 21 Cb 0.64 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1uhu h SER 21 CO 0.05 1.20 0.28 0.03 -1.14 0.00 0.00 176.83 177.25 1uhu h ARG 22 N 0.71 0.35 -0.05 3.45 2.47 -0.80 0.83 114.38 121.34 1uhu h ARG 22 Ca 0.06 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.58 1uhu h ARG 22 Cb 0.96 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1uhu h ARG 22 CO 0.09 0.23 -0.74 0.00 0.56 0.00 0.00 179.97 180.12 1uhu h ALA 23 N 1.77 0.65 -0.36 0.04 0.00 -1.28 -1.06 119.26 119.01 1uhu h ALA 23 Ca 0.18 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1uhu h ALA 23 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uhu h ALA 23 CO -0.04 0.80 0.05 1.25 0.00 0.00 0.00 179.25 181.30 1uhu h HIS 24 N 0.20 0.65 0.00 0.00 6.17 -0.54 1.25 115.15 122.88 1uhu h HIS 24 Ca -0.03 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 60.88 1uhu h HIS 24 Cb 1.31 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 31.05 1uhu h HIS 24 CO 0.03 0.67 -0.39 -0.97 0.71 0.00 0.00 177.93 177.98 1uhu h ASN 25 N 0.44 0.00 -0.45 3.26 -0.73 -1.09 -1.86 115.58 115.16 1uhu h ASN 25 Ca 0.11 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1uhu h ASN 25 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1uhu h ASN 25 CO 0.01 0.39 0.00 0.18 -0.37 0.00 0.00 177.43 177.64 1uhu n LEU 26 N -3.66 3.34 -4.23 0.34 4.77 -0.41 -4.91 117.00 112.24 1uhu n LEU 26 Ca -0.01 -1.68 -0.30 0.00 -0.03 0.00 0.00 56.01 53.99 1uhu n LEU 26 Cb 0.49 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1uhu n LEU 26 CO 0.37 0.59 -0.41 -0.24 -1.33 0.00 0.00 177.39 176.37 1uhu n SER 27 N 0.71 0.44 -4.17 -1.43 2.88 0.03 -4.92 113.62 107.16 1uhu n SER 27 Ca 0.17 -1.22 -0.11 0.00 -1.33 0.00 0.00 58.87 56.39 1uhu n SER 27 Cb 0.63 -1.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.06 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 -4.26 0.39 -0.04 2.46 -7.23 0.41 -5.01 120.40 107.13 1uhu s VAL 28 Ca 0.02 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1uhu s VAL 28 Cb -0.01 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1uhu s VAL 28 CO 0.97 -0.62 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.33 1uhu s GLU 29 N -3.95 1.95 0.25 4.82 2.02 -1.26 -3.91 118.70 118.61 1uhu s GLU 29 Ca 0.19 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1uhu s GLU 29 Cb 0.07 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 1uhu s GLU 29 CO -0.01 0.33 0.20 0.96 0.02 0.00 0.00 175.26 176.76 1uhu s ILE 30 N -0.15 0.00 0.27 -1.63 -4.36 -1.26 -4.92 121.20 109.15 1uhu s ILE 30 Ca -0.01 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1uhu s ILE 30 Cb -0.11 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.05 1uhu s ILE 30 CO 0.02 0.00 0.01 -0.54 0.24 0.00 0.00 174.94 174.67 1uhu s LYS 31 N -3.90 1.47 0.14 0.37 1.02 -1.26 -5.04 119.74 112.53 1uhu s LYS 31 Ca 0.39 -1.77 0.21 0.00 0.02 0.00 0.00 55.97 54.82 1uhu s LYS 31 Cb 0.05 -0.76 -0.08 0.00 -0.52 0.00 0.00 37.83 36.52 1uhu s LYS 31 CO 0.17 -0.11 0.90 1.17 -0.92 0.00 0.00 175.35 176.56 1uhu n LYS 32 N -0.52 0.62 -0.02 1.68 4.81 -1.26 -2.62 118.16 120.85 1uhu n LYS 32 Ca -0.04 0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.37 1uhu n LYS 32 Cb 0.65 -1.78 -0.10 0.00 0.02 0.00 0.00 35.03 33.82 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 3.94 -0.03 1.36 3.14 0.00 -2.00 -3.08 103.07 106.40 1uhu h GLY 33 Ca -0.05 0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 1uhu h GLY 33 CO 0.01 -0.01 -0.91 -0.56 0.00 0.00 0.00 176.54 175.07 1uhu h PRO 34 N -0.64 0.60 -1.01 4.80 0.13 -1.99 -2.17 132.00 131.72 1uhu h PRO 34 Ca -0.00 -0.58 0.24 0.00 -0.87 0.00 0.00 66.00 64.78 1uhu h PRO 34 Cb 0.60 0.15 -0.12 0.00 0.13 0.00 0.00 31.00 31.76 1uhu h PRO 34 CO 0.00 1.20 0.61 2.35 -0.23 0.00 0.00 178.00 181.94 1uhu h TRP 35 N 0.36 0.96 0.01 1.56 2.91 -1.60 1.40 115.95 121.54 1uhu h TRP 35 Ca -0.08 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1uhu h TRP 35 Cb 1.55 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 1uhu h TRP 35 CO 0.08 0.10 -0.07 -0.09 -1.03 0.00 0.00 178.44 177.42 1uhu h ARG 36 N 0.58 0.04 -0.06 2.65 2.43 -1.47 -2.92 114.38 115.63 1uhu h ARG 36 Ca 0.62 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.78 1uhu h ARG 36 Cb 1.22 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1uhu h ARG 36 CO -0.42 0.91 -0.19 1.15 -1.51 0.00 0.00 179.97 179.90 1uhu h THR 37 N -0.81 0.53 -0.37 0.20 2.02 -0.37 1.15 112.91 115.27 1uhu h THR 37 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1uhu h THR 37 Cb 0.94 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1uhu h THR 37 CO 0.01 0.00 0.26 -0.26 0.37 0.00 0.00 175.52 175.90 1uhu h PHE 38 N -0.28 0.06 -0.61 3.16 0.04 0.17 0.67 116.94 120.16 1uhu h PHE 38 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1uhu h PHE 38 Cb 0.38 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1uhu h PHE 38 CO -0.27 0.03 0.00 0.00 -0.60 0.00 0.00 178.31 177.47 1uhu n ALA 40 N 1.05 0.74 -2.50 0.00 0.00 0.38 -4.66 120.51 115.53 1uhu n ALA 40 Ca 0.24 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 1uhu n ALA 40 Cb 0.79 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 20.28 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 -4.50 -0.51 -0.03 0.00 2.88 -0.91 -4.82 113.62 105.73 1uhu n SER 41 Ca -0.17 -2.10 -0.05 0.00 -1.33 0.00 0.00 58.87 55.22 1uhu n SER 41 Cb 0.47 0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.73 0.11 0.04 -1.46 4.07 -1.17 -4.33 120.64 117.17 1uhu n GLU 42 Ca -0.13 0.04 -0.20 0.00 -0.06 0.00 0.00 57.16 56.81 1uhu n GLU 42 Cb 0.85 -0.76 -0.13 0.00 -0.06 0.00 0.00 31.44 31.34 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 -0.15 0.63 0.00 4.31 6.55 -0.90 -3.06 115.95 123.33 1uhu h TRP 43 Ca -0.13 -0.41 0.00 0.00 0.95 0.00 0.00 58.89 59.30 1uhu h TRP 43 Cb 1.12 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1uhu h TRP 43 CO -0.01 1.28 0.00 -0.35 -1.05 0.00 0.00 178.44 178.31 1uhu n PRO 44 N -4.11 0.75 -0.05 0.49 -0.04 -1.25 -2.11 135.00 128.68 1uhu n PRO 44 Ca -0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1uhu n PRO 44 Cb 0.80 -1.39 0.09 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 -0.89 1.58 1.32 0.52 -2.24 -1.18 -4.57 114.28 108.82 1uhu n THR 45 Ca 0.14 -1.83 0.13 0.00 -2.27 0.00 0.00 64.05 60.22 1uhu n THR 45 Cb 0.06 0.01 0.42 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.12 0.00 -2.70 4.78 3.01 -0.90 -4.95 117.46 115.59 1uhu n PHE 46 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.51 1uhu n PHE 46 Cb 0.51 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 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 -0.38 -7.44 0.23 4.37 8.00 -1.26 -4.98 116.55 115.09 1uhu n ASP 47 Ca 0.14 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.33 1uhu n ASP 47 Cb 0.35 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.46 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 -0.09 0.00 0.00 2.53 0.24 -1.26 -5.05 118.33 114.70 1uhu n VAL 48 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1uhu n VAL 48 Cb 0.32 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.46 0.00 3.51 7.63 0.00 -1.26 -5.14 105.19 108.46 1uhu n GLY 49 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.13 0.80 1.61 -0.11 -1.26 -4.91 118.94 118.20 1uhu s TRP 50 Ca 0.00 -0.25 -0.12 0.00 1.22 0.00 0.00 56.10 56.96 1uhu s TRP 50 Cb 0.00 -2.17 0.07 0.00 -1.50 0.00 0.00 33.47 29.87 1uhu s TRP 50 CO 0.00 -0.18 1.10 -1.25 -4.62 0.00 0.00 176.95 172.00 1uhu s PRO 51 N 1.16 2.04 0.35 5.86 0.04 -1.26 -3.93 135.00 139.26 1uhu s PRO 51 Ca 0.04 0.62 0.18 0.00 0.04 0.00 0.00 61.00 61.88 1uhu s PRO 51 Cb -0.14 -1.91 0.49 0.00 0.04 0.00 0.00 34.50 32.97 1uhu s PRO 51 CO 0.03 -1.65 1.64 -1.00 0.04 0.00 0.00 177.00 176.07 1uhu h PRO 52 N -1.11 0.00 0.00 0.56 0.13 -1.87 -2.97 132.00 126.74 1uhu h PRO 52 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1uhu h PRO 52 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uhu h PRO 52 CO 0.59 0.40 -0.65 0.93 -0.23 0.00 0.00 178.00 179.05 1uhu h GLU 53 N 0.00 0.00 0.00 0.86 3.07 -1.93 -3.42 114.58 113.16 1uhu h GLU 53 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uhu h GLU 53 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1uhu h GLU 53 CO 0.05 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.14 1uhu n GLY 54 N 1.18 1.07 3.63 -3.84 0.00 -1.12 -1.90 105.19 104.20 1uhu n GLY 54 Ca 0.01 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.61 0.00 -0.33 2.61 -1.32 -1.26 -4.69 115.64 109.04 1uhu s THR 55 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1uhu s THR 55 Cb 0.00 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.47 1uhu s THR 55 CO 0.00 0.00 1.68 0.49 -2.21 0.00 0.00 174.62 174.58 1uhu n PHE 56 N 2.58 2.23 -3.18 9.09 3.72 -1.26 -4.78 117.46 125.85 1uhu n PHE 56 Ca -0.14 -1.53 -0.43 0.00 -0.05 0.00 0.00 57.45 55.30 1uhu n PHE 56 Cb 0.55 -0.78 -0.07 0.00 -0.94 0.00 0.00 39.48 38.24 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 -0.67 6.26 0.32 4.37 2.15 -1.26 -4.71 116.67 123.14 1uhu s ASP 57 Ca 0.41 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.95 1uhu s ASP 57 Cb 0.35 -2.28 0.95 0.00 -0.30 0.00 0.00 42.92 41.63 1uhu s ASP 57 CO 0.07 -0.74 1.69 0.25 -0.17 0.00 0.00 175.17 176.27 1uhu h LEU 58 N 9.50 0.51 0.08 -1.34 5.85 -1.96 0.80 115.31 128.76 1uhu h LEU 58 Ca -0.26 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1uhu h LEU 58 Cb 1.10 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1uhu h LEU 58 CO 0.88 -0.04 -0.18 0.74 -0.34 0.00 0.00 178.44 179.50 1uhu h THR 59 N 0.41 0.59 -0.01 1.05 2.02 -1.98 1.52 112.91 116.51 1uhu h THR 59 Ca 0.67 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.77 1uhu h THR 59 Cb 1.41 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1uhu h THR 59 CO -0.56 0.00 -0.35 0.58 0.37 0.00 0.00 175.52 175.56 1uhu h VAL 60 N -0.33 1.26 0.18 3.16 2.07 -0.85 -2.19 116.25 119.55 1uhu h VAL 60 Ca 0.03 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1uhu h VAL 60 Cb 0.36 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1uhu h VAL 60 CO -0.11 0.35 -0.09 0.40 0.02 0.00 0.00 177.57 178.15 1uhu h ILE 61 N 0.02 0.90 -0.32 4.57 2.04 0.15 -2.96 117.51 121.91 1uhu h ILE 61 Ca 0.00 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.04 1uhu h ILE 61 Cb 0.64 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1uhu h ILE 61 CO 0.05 0.19 0.32 -0.26 0.00 0.00 0.00 178.15 178.45 1uhu h PHE 62 N -0.73 0.00 0.21 1.37 -1.00 0.22 0.58 116.94 117.59 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 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1uhu h PHE 62 CO 0.06 0.00 -0.10 0.93 -1.61 0.00 0.00 178.31 177.59 1uhu h GLU 63 N 0.00 -0.27 -0.40 1.51 4.39 -1.23 0.36 114.58 118.94 1uhu h GLU 63 Ca 0.15 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.72 1uhu h GLU 63 Cb 0.79 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1uhu h GLU 63 CO -0.00 -0.08 -0.34 0.28 -1.16 0.00 0.00 179.01 177.71 1uhu h VAL 64 N -0.42 1.27 -0.79 3.13 2.07 -1.16 -2.79 116.25 117.57 1uhu h VAL 64 Ca -0.03 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.01 1uhu h VAL 64 Cb 0.32 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1uhu h VAL 64 CO 0.05 0.51 0.52 0.50 0.02 0.00 0.00 177.57 179.17 1uhu h LYS 65 N 0.76 0.97 0.15 1.57 3.64 -0.82 0.76 116.57 123.60 1uhu h LYS 65 Ca 0.07 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1uhu h LYS 65 Cb 0.93 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1uhu h LYS 65 CO 0.09 0.64 -0.19 0.00 -2.27 0.00 0.00 179.45 177.73 1uhu h ALA 66 N 1.53 -0.35 -0.27 5.00 0.00 -0.00 1.47 119.26 126.64 1uhu h ALA 66 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1uhu h ALA 66 Cb -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uhu h ALA 66 CO -0.08 -0.73 -0.02 0.82 0.00 0.00 0.00 179.25 179.24 1uhu h ILE 67 N -0.38 1.27 -0.08 0.00 2.04 -1.23 -2.46 117.51 116.66 1uhu h ILE 67 Ca 0.01 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1uhu h ILE 67 Cb 0.38 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1uhu h ILE 67 CO -0.07 0.31 -0.11 0.58 0.00 0.00 0.00 178.15 178.86 1uhu h VAL 68 N 0.27 0.70 -0.61 1.67 2.07 0.85 -1.64 116.25 119.55 1uhu h VAL 68 Ca 0.07 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.23 1uhu h VAL 68 Cb 0.46 0.70 -0.15 0.00 -1.52 0.00 0.00 31.29 30.78 1uhu h VAL 68 CO 0.02 0.00 0.40 0.49 0.02 0.00 0.00 177.57 178.50 1uhu n PHE 69 N -5.25 1.55 -2.06 1.57 3.01 0.50 0.72 117.46 117.50 1uhu n PHE 69 Ca -0.04 -1.97 -0.16 0.00 1.01 0.00 0.00 57.45 56.28 1uhu n PHE 69 Cb 0.17 -1.08 0.10 0.00 -0.01 0.00 0.00 39.48 38.66 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 0.49 -0.28 -4.32 -1.08 10.64 -0.62 -4.89 117.38 117.32 1uhu n GLN 70 Ca 0.35 -1.51 -0.34 0.00 -1.83 0.00 0.00 57.00 53.67 1uhu n GLN 70 Cb 0.58 -0.62 -0.09 0.00 -0.86 0.00 0.00 30.24 29.25 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 -3.77 5.24 0.00 2.61 -1.08 -1.26 -4.36 116.67 114.05 1uhu s ASP 71 Ca 0.44 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1uhu s ASP 71 Cb -0.02 -1.44 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 1uhu s ASP 71 CO 0.30 0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.94 1uhu n GLY 72 N 1.81 -1.11 0.00 2.66 0.00 -1.26 -4.48 105.19 102.81 1uhu n GLY 72 Ca -0.17 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.84 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 0.48 0.09 1.61 -0.04 -1.26 -2.80 135.00 133.08 1uhu n PRO 73 Ca 0.00 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 73 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.20 -4.43 0.55 0.00 -1.93 -3.46 103.07 97.76 1uhu h GLY 74 Ca 0.00 -0.37 -0.63 0.00 0.00 0.00 0.00 47.33 46.33 1uhu h GLY 74 CO 0.00 0.33 -0.75 -1.14 0.00 0.00 0.00 176.54 174.97 1uhu n SER 75 N -3.62 -2.13 -4.01 0.19 3.41 -1.12 -4.88 113.62 101.46 1uhu n SER 75 Ca -0.04 0.91 -0.33 0.00 -0.26 0.00 0.00 58.87 59.16 1uhu n SER 75 Cb 0.83 -0.94 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.48 3.37 -0.77 7.33 3.76 0.22 -4.89 115.29 122.84 1uhu s HIS 76 Ca 0.61 -3.02 0.24 0.00 -0.15 0.00 0.00 55.06 52.73 1uhu s HIS 76 Cb -0.70 -2.98 0.91 0.00 1.11 0.00 0.00 32.58 30.92 1uhu s HIS 76 CO 0.60 -0.75 1.73 -0.35 -0.85 0.00 0.00 174.74 175.12 1uhu n PRO 77 N 3.01 0.13 0.04 8.40 -0.04 -1.26 0.32 135.00 145.60 1uhu n PRO 77 Ca 0.10 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 1uhu n PRO 77 Cb 0.35 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 1uhu n PRO 77 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1uhu h ASP 78 N 0.00 0.52 1.03 3.54 5.19 -1.97 -3.35 116.42 121.38 1uhu h ASP 78 Ca 0.00 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 55.46 1uhu h ASP 78 Cb 0.48 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1uhu h ASP 78 CO 0.00 1.83 -0.69 1.56 -3.12 0.00 0.00 179.24 178.82 1uhu h GLN 79 N 0.09 0.00 -0.63 3.56 4.20 -1.94 -3.36 115.11 117.03 1uhu h GLN 79 Ca -0.39 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.45 1uhu h GLN 79 Cb 2.07 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.74 1uhu h GLN 79 CO 0.13 0.00 -0.05 1.96 -0.67 0.00 0.00 178.83 180.21 1uhu h GLN 80 N 0.00 0.07 0.00 1.46 4.20 -0.27 1.33 115.11 121.91 1uhu h GLN 80 Ca 0.00 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1uhu h GLN 80 Cb 0.86 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1uhu h GLN 80 CO 0.00 0.05 -0.32 -1.00 -0.67 0.00 0.00 178.83 176.89 1uhu h PRO 81 N 0.08 0.00 -0.00 1.46 0.13 -1.76 -0.73 132.00 131.17 1uhu h PRO 81 Ca 0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.43 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 -0.57 0.32 -0.09 1.88 -0.23 0.00 0.00 178.00 179.31 1uhu h TYR 82 N 0.00 0.09 -0.04 1.56 -1.99 -0.52 -2.74 116.97 113.33 1uhu h TYR 82 Ca -0.00 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 1uhu h TYR 82 Cb 0.99 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1uhu h TYR 82 CO 0.00 0.82 -0.55 0.97 -0.00 0.00 0.00 178.16 179.41 1uhu h ILE 83 N -0.66 1.38 0.15 -2.88 6.09 0.15 -2.97 117.51 118.77 1uhu h ILE 83 Ca -0.01 -1.86 -0.00 0.00 -1.37 0.00 0.00 64.86 61.61 1uhu h ILE 83 Cb 0.84 1.96 -0.00 0.00 0.47 0.00 0.00 36.82 40.09 1uhu h ILE 83 CO 0.02 0.54 -0.09 0.74 -3.07 0.00 0.00 178.15 176.29 1uhu h THR 84 N 0.09 0.80 -0.71 2.19 2.02 -1.18 -1.78 112.91 114.35 1uhu h THR 84 Ca -0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1uhu h THR 84 Cb 0.99 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 1uhu h THR 84 CO 0.08 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.90 1uhu h VAL 85 N -0.24 0.86 -0.49 3.16 2.07 -1.43 -0.10 116.25 120.08 1uhu h VAL 85 Ca -0.01 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1uhu h VAL 85 Cb 0.20 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 1uhu h VAL 85 CO 0.02 0.11 -0.02 -0.50 0.02 0.00 0.00 177.57 177.20 1uhu h TRP 86 N 0.61 -0.07 -0.58 1.57 4.06 -1.28 0.62 115.95 120.88 1uhu h TRP 86 Ca 0.35 0.04 0.14 0.00 2.06 0.00 0.00 58.89 61.47 1uhu h TRP 86 Cb 0.35 0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.59 1uhu h TRP 86 CO -0.10 -0.13 0.40 0.37 -3.56 0.00 0.00 178.44 175.42 1uhu h GLN 87 N 0.09 0.18 -0.36 0.49 4.15 -0.18 0.15 115.11 119.64 1uhu h GLN 87 Ca 0.25 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.50 1uhu h GLN 87 Cb 0.37 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1uhu h GLN 87 CO -0.43 0.12 -0.39 0.22 -1.93 0.00 0.00 178.83 176.43 1uhu h ASP 88 N 0.19 0.96 -0.84 -0.69 1.82 0.79 -1.16 116.42 117.48 1uhu h ASP 88 Ca 0.28 -0.47 0.10 0.00 -0.39 0.00 0.00 57.03 56.55 1uhu h ASP 88 Cb 0.84 -0.27 -0.08 0.00 0.68 0.00 0.00 39.33 40.50 1uhu h ASP 88 CO -0.05 1.24 0.48 -0.07 -1.61 0.00 0.00 179.24 179.23 1uhu h LEU 89 N 0.70 0.68 0.29 2.28 -0.00 0.90 0.23 115.31 120.38 1uhu h LEU 89 Ca 0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1uhu h LEU 89 Cb 0.98 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1uhu h LEU 89 CO 0.09 0.37 -0.14 0.58 -0.00 0.00 0.00 178.44 179.35 1uhu h VAL 90 N 0.79 0.69 -0.01 1.22 2.07 -1.26 -3.04 116.25 116.71 1uhu h VAL 90 Ca 0.41 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1uhu h VAL 90 Cb 0.41 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1uhu h VAL 90 CO -0.26 0.13 -0.02 1.56 0.02 0.00 0.00 177.57 179.00 1uhu h GLN 91 N -0.81 -0.02 -4.10 1.57 1.08 -0.63 -3.08 115.11 109.12 1uhu h GLN 91 Ca -0.04 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.40 1uhu h GLN 91 Cb 0.51 0.01 -0.20 0.00 -0.05 0.00 0.00 27.48 27.75 1uhu h GLN 91 CO 0.06 -0.02 1.33 0.09 -0.95 0.00 0.00 178.83 179.35 1uhu n ASN 92 N -2.71 5.34 -4.57 1.46 3.02 0.75 -4.98 115.26 113.57 1uhu n ASN 92 Ca -0.00 -3.06 -0.49 0.00 -0.03 0.00 0.00 54.58 51.00 1uhu n ASN 92 Cb 0.02 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.64 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 4.35 2.76 -4.80 6.41 3.41 -1.15 -4.68 113.62 119.92 1uhu n SER 93 Ca 0.35 0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 59.28 1uhu n SER 93 Cb 0.40 -1.33 0.09 0.00 -0.26 0.00 0.00 64.21 63.11 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 5.32 2.00 0.39 4.33 0.04 -1.26 -4.82 135.00 141.00 1uhu s PRO 94 Ca 1.02 0.61 0.21 0.00 0.04 0.00 0.00 61.00 62.88 1uhu s PRO 94 Cb -0.74 -1.91 0.60 0.00 0.04 0.00 0.00 34.50 32.49 1uhu s PRO 94 CO 0.49 -1.68 1.69 -1.00 0.04 0.00 0.00 177.00 176.55 1uhu h PRO 95 N -1.13 0.00 -0.00 0.56 0.13 -1.92 0.97 132.00 130.61 1uhu h PRO 95 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uhu h PRO 95 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uhu h PRO 95 CO 0.59 0.28 -0.03 -2.67 -0.23 0.00 0.00 178.00 175.95 1uhu n TRP 96 N -3.30 0.00 -0.05 1.56 4.27 -1.26 -4.01 117.44 114.65 1uhu n TRP 96 Ca 0.01 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.57 1uhu n TRP 96 Cb 0.53 -0.43 -0.02 0.00 -1.36 0.00 0.00 31.31 30.03 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 -1.44 1.04 -3.98 -1.67 5.41 -0.90 -4.98 119.36 112.84 1uhu n ILE 97 Ca 0.09 0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.80 1uhu n ILE 97 Cb 0.32 -1.98 -0.16 0.00 -0.71 0.00 0.00 39.64 37.10 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 -2.24 1.98 -0.01 0.38 1.02 0.29 -5.02 119.74 116.13 1uhu s LYS 98 Ca -0.17 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 1uhu s LYS 98 Cb 0.02 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1uhu s LYS 98 CO 0.25 -0.33 0.05 0.45 -0.92 0.00 0.00 175.35 174.85 1uhu s SER 99 N 1.51 -0.02 0.00 2.83 0.15 -1.26 -4.22 113.70 112.70 1uhu s SER 99 Ca 0.03 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1uhu s SER 99 Cb -0.14 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1uhu s SER 99 CO -0.09 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1uhu n GLY 100 N 2.76 1.10 3.58 9.45 0.00 -1.26 -5.02 105.19 115.81 1uhu n GLY 100 Ca -0.14 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1uhu n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhu s PRO 101 N 0.00 3.31 -0.30 1.61 0.04 -1.26 -4.88 135.00 133.51 1uhu s PRO 101 Ca 0.00 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.49 1uhu s PRO 101 Cb 0.00 -4.13 0.18 0.00 0.04 0.00 0.00 34.50 30.59 1uhu s PRO 101 CO 0.00 -1.92 1.20 -1.54 0.04 0.00 0.00 177.00 174.78 1uhu s SER 102 N 4.71 -0.18 -0.26 6.66 1.04 -1.26 -5.07 113.70 119.34 1uhu s SER 102 Ca 0.57 0.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 1uhu s SER 102 Cb -0.12 1.17 0.08 0.00 0.10 0.00 0.00 66.02 67.25 1uhu s SER 102 CO 0.27 -0.03 0.07 -0.55 0.98 0.00 0.00 173.24 173.97 1uhu s SER 103 N 2.65 3.52 0.00 7.02 0.15 -1.26 -5.24 113.70 120.55 1uhu s SER 103 Ca -0.05 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1uhu s SER 103 Cb -0.06 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1uhu s SER 103 CO -0.11 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.57