#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 -8.00 -4.39 1.61 2.88 -1.26 -4.91 113.62 99.56 1uhu n SER 1 Ca 0.00 0.87 -0.45 0.00 -1.33 0.00 0.00 58.87 57.96 1uhu n SER 1 Cb 0.00 -5.39 -0.03 0.00 -0.75 0.00 0.00 64.21 58.04 1uhu n SER 1 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uhu s SER 2 N -2.25 6.51 0.00 -3.46 1.04 -1.26 -4.53 113.70 109.74 1uhu s SER 2 Ca 0.16 -2.01 0.00 0.00 0.48 0.00 0.00 55.95 54.57 1uhu s SER 2 Cb -0.04 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1uhu s SER 2 CO 0.78 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1uhu n GLY 3 N 4.95 -0.64 3.83 7.32 0.00 -1.26 -5.14 105.19 114.25 1uhu n GLY 3 Ca 0.08 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1uhu n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uhu s SER 4 N 0.00 5.96 -0.42 1.61 1.04 -1.26 -5.06 113.70 115.57 1uhu s SER 4 Ca 0.00 0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1uhu s SER 4 Cb 0.00 -1.78 0.19 0.00 0.10 0.00 0.00 66.02 64.53 1uhu s SER 4 CO 0.00 0.26 0.41 -1.54 0.98 0.00 0.00 173.24 173.36 1uhu n SER 5 N 1.06 -0.71 0.00 7.02 3.41 -1.26 -4.50 113.62 118.64 1uhu n SER 5 Ca -0.12 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1uhu n SER 5 Cb 0.53 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1uhu n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uhu n GLY 6 N 2.61 5.48 3.66 5.00 0.00 -1.26 -5.14 105.19 115.54 1uhu n GLY 6 Ca 0.27 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1uhu n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uhu s THR 7 N 2.67 2.35 -0.07 2.61 -4.23 -1.26 -4.82 115.64 112.88 1uhu s THR 7 Ca 0.00 0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.36 1uhu s THR 7 Cb 0.00 -2.28 -0.23 0.00 1.34 0.00 0.00 72.50 71.33 1uhu s THR 7 CO 0.00 -0.15 1.03 1.55 -0.54 0.00 0.00 174.62 176.51 1uhu h PRO 8 N -1.85 0.06 -0.48 3.99 0.13 -1.82 0.72 132.00 132.76 1uhu h PRO 8 Ca -0.47 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1uhu h PRO 8 Cb 1.28 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1uhu h PRO 8 CO 0.46 0.79 0.07 1.25 -0.23 0.00 0.00 178.00 180.34 1uhu h LEU 9 N -0.65 -0.06 -0.06 1.56 6.46 -1.78 1.39 115.31 122.17 1uhu h LEU 9 Ca -0.01 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1uhu h LEU 9 Cb 0.82 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1uhu h LEU 9 CO 0.02 -0.00 -0.02 -1.28 -0.62 0.00 0.00 178.44 176.54 1uhu h SER 10 N 0.19 0.11 -0.60 1.25 0.87 -1.83 0.67 113.55 114.20 1uhu h SER 10 Ca 0.24 -0.38 0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1uhu h SER 10 Cb 0.33 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1uhu h SER 10 CO -0.34 0.47 0.28 -0.07 -0.53 0.00 0.00 176.83 176.64 1uhu h LEU 11 N -0.25 0.37 0.40 2.23 3.38 -0.13 1.13 115.31 122.45 1uhu h LEU 11 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1uhu h LEU 11 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1uhu h LEU 11 CO 0.01 0.23 -0.19 0.71 0.09 0.00 0.00 178.44 179.29 1uhu h THR 12 N 0.52 0.60 -0.37 0.22 1.35 0.20 -2.25 112.91 113.18 1uhu h THR 12 Ca 0.29 -0.23 0.04 0.00 -0.55 0.00 0.00 66.41 65.95 1uhu h THR 12 Cb 0.27 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 1uhu h THR 12 CO -0.23 0.04 0.13 -0.07 -0.25 0.00 0.00 175.52 175.15 1uhu h LEU 13 N -0.67 0.15 -1.92 3.87 -0.00 -0.39 0.26 115.31 116.61 1uhu h LEU 13 Ca -0.06 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 1uhu h LEU 13 Cb 0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1uhu h LEU 13 CO 0.09 0.12 0.43 0.44 -0.00 0.00 0.00 178.44 179.53 1uhu h ASP 14 N 0.29 0.00 -0.93 -0.43 3.32 0.14 0.34 116.42 119.16 1uhu h ASP 14 Ca 0.17 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.70 1uhu h ASP 14 Cb 0.14 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.27 1uhu h ASP 14 CO -0.17 0.00 -0.85 1.41 -1.72 0.00 0.00 179.24 177.91 1uhu n HIS 15 N -3.37 2.67 -0.27 4.55 8.25 0.79 -4.80 115.22 123.05 1uhu n HIS 15 Ca 0.04 -2.48 0.12 0.00 -0.26 0.00 0.00 57.72 55.14 1uhu n HIS 15 Cb 0.56 -0.26 0.38 0.00 1.12 0.00 0.00 29.99 31.78 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 2.38 0.82 -0.88 4.41 -0.00 0.10 0.25 115.95 123.03 1uhu h TRP 16 Ca 0.27 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.30 1uhu h TRP 16 Cb 1.33 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.16 30.14 1uhu h TRP 16 CO 0.78 0.31 0.50 0.77 -0.00 0.00 0.00 178.44 180.81 1uhu h SER 17 N 0.70 0.69 -0.35 2.65 0.02 -1.86 0.90 113.55 116.31 1uhu h SER 17 Ca 0.44 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 61.30 1uhu h SER 17 Cb 0.70 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1uhu h SER 17 CO -0.20 0.35 -0.37 -0.08 -1.14 0.00 0.00 176.83 175.39 1uhu h GLU 18 N 0.79 0.90 -0.33 3.45 4.57 -0.89 -1.23 114.58 121.84 1uhu h GLU 18 Ca 0.45 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1uhu h GLU 18 Cb 0.51 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1uhu h GLU 18 CO -0.29 1.12 -0.22 0.82 -1.18 0.00 0.00 179.01 179.26 1uhu h ILE 19 N 0.74 1.27 0.00 2.32 1.08 -0.10 -0.77 117.51 122.04 1uhu h ILE 19 Ca 0.06 -1.27 -0.07 0.00 -0.39 0.00 0.00 64.86 63.19 1uhu h ILE 19 Cb 0.96 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1uhu h ILE 19 CO 0.09 0.42 -0.33 0.03 -0.69 0.00 0.00 178.15 177.67 1uhu h ARG 20 N 0.55 0.00 0.05 2.37 3.08 0.95 -2.71 114.38 118.67 1uhu h ARG 20 Ca 0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1uhu h ARG 20 Cb 0.67 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.74 1uhu h ARG 20 CO 0.05 0.33 -0.73 1.03 -1.07 0.00 0.00 179.97 179.58 1uhu h SER 21 N 0.00 0.54 -0.22 7.04 0.87 -0.58 -2.57 113.55 118.63 1uhu h SER 21 Ca -0.00 -0.83 0.02 0.00 -1.23 0.00 0.00 61.79 59.75 1uhu h SER 21 Cb 0.83 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1uhu h SER 21 CO 0.04 1.31 0.15 0.03 -0.53 0.00 0.00 176.83 177.83 1uhu h ARG 22 N -0.15 0.20 -0.03 2.24 2.47 -1.07 0.11 114.38 118.15 1uhu h ARG 22 Ca -0.11 -0.01 -0.21 0.00 -1.26 0.00 0.00 59.98 58.39 1uhu h ARG 22 Cb 1.47 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1uhu h ARG 22 CO 0.14 0.13 -0.87 0.00 0.56 0.00 0.00 179.97 179.93 1uhu h ALA 23 N 1.88 0.42 -0.27 0.04 0.00 -1.49 0.10 119.26 119.94 1uhu h ALA 23 Ca 0.09 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1uhu h ALA 23 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uhu h ALA 23 CO -0.02 0.79 0.07 1.25 0.00 0.00 0.00 179.25 181.35 1uhu h HIS 24 N 0.26 0.44 0.00 0.00 6.17 -0.65 1.31 115.15 122.68 1uhu h HIS 24 Ca -0.06 -0.05 -0.11 0.00 0.71 0.00 0.00 60.37 60.85 1uhu h HIS 24 Cb 1.49 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 31.28 1uhu h HIS 24 CO 0.06 0.50 -0.54 -0.97 0.71 0.00 0.00 177.93 177.68 1uhu h ASN 25 N 0.26 0.00 0.06 3.26 -0.73 -1.07 -1.91 115.58 115.46 1uhu h ASN 25 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1uhu h ASN 25 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1uhu h ASN 25 CO -0.00 0.54 -0.03 0.18 -0.37 0.00 0.00 177.43 177.76 1uhu n LEU 26 N -3.82 0.79 -3.48 0.34 4.77 0.02 -4.93 117.00 110.69 1uhu n LEU 26 Ca -0.01 -0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 1uhu n LEU 26 Cb 0.56 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1uhu n LEU 26 CO 0.41 0.13 0.00 -0.24 -1.33 0.00 0.00 177.39 176.37 1uhu n SER 27 N -0.45 -4.01 -3.84 -1.43 2.88 0.15 -5.00 113.62 101.92 1uhu n SER 27 Ca 0.20 -0.77 -0.12 0.00 -1.33 0.00 0.00 58.87 56.85 1uhu n SER 27 Cb 0.26 -4.59 -0.10 0.00 -0.75 0.00 0.00 64.21 59.03 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 -3.47 0.06 -0.10 2.46 -7.23 0.40 -5.00 120.40 107.52 1uhu s VAL 28 Ca 0.25 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1uhu s VAL 28 Cb -0.05 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1uhu s VAL 28 CO 0.78 -0.29 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.51 1uhu s GLU 29 N -1.09 3.10 0.11 4.82 2.12 -1.26 -3.93 118.70 122.56 1uhu s GLU 29 Ca -0.12 -0.56 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1uhu s GLU 29 Cb -0.06 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 1uhu s GLU 29 CO 0.02 0.48 0.07 0.96 -0.54 0.00 0.00 175.26 176.25 1uhu s ILE 30 N -0.31 0.14 0.35 -3.70 -4.36 -1.26 -4.91 121.20 107.14 1uhu s ILE 30 Ca 0.04 -1.74 0.08 0.00 -0.26 0.00 0.00 60.65 58.78 1uhu s ILE 30 Cb -0.13 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 1uhu s ILE 30 CO 0.02 -0.62 0.07 -0.54 0.24 0.00 0.00 174.94 174.11 1uhu s LYS 31 N -3.98 2.18 0.03 0.37 -0.14 -1.26 -5.03 119.74 111.91 1uhu s LYS 31 Ca 0.16 -1.71 0.23 0.00 -1.36 0.00 0.00 55.97 53.29 1uhu s LYS 31 Cb 0.07 -2.00 0.14 0.00 -1.68 0.00 0.00 37.83 34.36 1uhu s LYS 31 CO -0.03 0.09 1.13 1.17 -0.76 0.00 0.00 175.35 176.94 1uhu n LYS 32 N -1.05 0.15 -0.08 1.68 4.81 -1.26 -2.88 118.16 119.54 1uhu n LYS 32 Ca -0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.25 1uhu n LYS 32 Cb 0.62 -1.55 -0.13 0.00 0.02 0.00 0.00 35.03 33.99 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 4.76 0.00 1.29 3.14 0.00 -2.00 -3.28 103.07 106.98 1uhu h GLY 33 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1uhu h GLY 33 CO 0.00 0.00 -0.93 -0.56 0.00 0.00 0.00 176.54 175.05 1uhu h PRO 34 N -1.00 0.66 -1.01 4.80 0.13 -1.99 -2.46 132.00 131.13 1uhu h PRO 34 Ca -0.05 -0.65 0.23 0.00 -0.87 0.00 0.00 66.00 64.66 1uhu h PRO 34 Cb 1.05 0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1uhu h PRO 34 CO -0.03 1.25 0.60 2.35 -0.23 0.00 0.00 178.00 181.94 1uhu h TRP 35 N 0.41 1.02 -0.01 1.56 2.91 -1.70 1.25 115.95 121.39 1uhu h TRP 35 Ca -0.09 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1uhu h TRP 35 Cb 1.57 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 1uhu h TRP 35 CO 0.09 0.11 -0.08 -0.09 -1.03 0.00 0.00 178.44 177.44 1uhu h ARG 36 N 0.63 0.07 -0.09 2.65 9.65 -1.60 -2.68 114.38 123.01 1uhu h ARG 36 Ca 0.63 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.47 1uhu h ARG 36 Cb 1.15 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.70 1uhu h ARG 36 CO -0.44 0.76 -0.12 1.15 2.80 0.00 0.00 179.97 184.11 1uhu h THR 37 N -0.58 0.67 -0.53 0.20 2.02 -0.45 0.79 112.91 115.02 1uhu h THR 37 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 1uhu h THR 37 Cb 0.77 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1uhu h THR 37 CO 0.02 0.00 0.36 -0.26 0.37 0.00 0.00 175.52 176.01 1uhu h PHE 38 N -0.16 0.33 -0.67 3.16 0.04 0.14 0.69 116.94 120.47 1uhu h PHE 38 Ca 0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1uhu h PHE 38 Cb 0.27 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1uhu h PHE 38 CO -0.23 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 1uhu n ALA 40 N 1.36 0.25 -2.75 0.00 0.00 0.26 -4.67 120.51 114.96 1uhu n ALA 40 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1uhu n ALA 40 Cb 0.70 0.01 0.07 0.00 0.00 0.00 0.00 19.45 20.22 1uhu n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uhu n SER 41 N -3.19 0.51 -0.03 0.00 7.64 -0.88 -4.79 113.62 112.89 1uhu n SER 41 Ca -0.04 -2.08 -0.06 0.00 1.01 0.00 0.00 58.87 57.70 1uhu n SER 41 Cb 0.15 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1uhu n SER 41 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1uhu n GLU 42 N -0.83 0.12 0.03 1.43 4.07 -1.18 -4.31 120.64 119.97 1uhu n GLU 42 Ca -0.02 0.05 -0.19 0.00 -0.06 0.00 0.00 57.16 56.95 1uhu n GLU 42 Cb 0.84 -0.71 -0.12 0.00 -0.06 0.00 0.00 31.44 31.39 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 -0.21 0.63 0.00 4.31 6.55 -1.28 -3.08 115.95 122.86 1uhu h TRP 43 Ca -0.14 -0.38 0.00 0.00 0.95 0.00 0.00 58.89 59.32 1uhu h TRP 43 Cb 1.10 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 1uhu h TRP 43 CO -0.02 1.23 0.00 -0.35 -1.05 0.00 0.00 178.44 178.25 1uhu n PRO 44 N -4.15 0.75 -0.42 0.49 -0.04 -1.26 -2.29 135.00 128.09 1uhu n PRO 44 Ca -0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 44 Cb 0.75 -1.40 0.23 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.90 2.24 0.78 0.52 -2.24 -1.17 -4.43 114.28 109.08 1uhu n THR 45 Ca 0.15 -2.09 0.09 0.00 -2.27 0.00 0.00 64.05 59.93 1uhu n THR 45 Cb 0.07 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.79 0.00 -2.61 4.78 3.01 -0.97 -4.95 117.46 115.93 1uhu n PHE 46 Ca 0.22 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.62 1uhu n PHE 46 Cb 0.86 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 40.27 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 -1.55 -6.77 0.03 4.37 9.92 -1.26 -5.00 116.55 116.28 1uhu n ASP 47 Ca 0.03 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1uhu n ASP 47 Cb 0.33 -4.53 0.00 0.00 -0.64 0.00 0.00 41.12 36.28 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 -0.51 0.00 0.00 2.53 0.24 -1.26 -5.05 118.33 114.28 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 0.39 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.15 0.00 3.40 7.63 0.00 -1.26 -5.13 105.19 109.69 1uhu n GLY 49 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.15 0.88 1.61 -0.11 -1.26 -4.94 118.94 118.26 1uhu s TRP 50 Ca 0.00 -0.70 -0.12 0.00 1.22 0.00 0.00 56.10 56.50 1uhu s TRP 50 Cb 0.00 -2.29 0.12 0.00 -1.50 0.00 0.00 33.47 29.80 1uhu s TRP 50 CO 0.00 -0.48 1.13 -1.25 -4.62 0.00 0.00 176.95 171.72 1uhu s PRO 51 N 1.57 1.37 0.00 5.86 0.04 -1.26 -3.98 135.00 138.60 1uhu s PRO 51 Ca 0.04 0.37 0.24 0.00 0.04 0.00 0.00 61.00 61.69 1uhu s PRO 51 Cb -0.17 -1.86 1.39 0.00 0.04 0.00 0.00 34.50 33.90 1uhu s PRO 51 CO 0.04 -2.06 1.79 -0.35 0.04 0.00 0.00 177.00 176.46 1uhu n PRO 52 N -3.68 0.69 0.00 0.56 -0.04 -1.26 -2.18 135.00 129.09 1uhu n PRO 52 Ca 0.07 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1uhu n PRO 52 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1uhu n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uhu n GLU 53 N -1.04 5.47 0.00 0.54 4.71 -1.26 -4.83 120.64 124.23 1uhu n GLU 53 Ca 0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1uhu n GLU 53 Cb 0.09 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1uhu n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uhu n GLY 54 N 1.03 -0.22 3.32 0.62 0.00 -0.92 -2.35 105.19 106.66 1uhu n GLY 54 Ca 0.01 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.27 0.04 -0.83 2.61 -1.32 -1.26 -4.61 115.64 107.99 1uhu s THR 55 Ca 0.00 -0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1uhu s THR 55 Cb 0.00 -0.71 0.35 0.00 -1.51 0.00 0.00 72.50 70.63 1uhu s THR 55 CO 0.00 -0.17 1.95 0.49 -2.21 0.00 0.00 174.62 174.68 1uhu n PHE 56 N 1.34 3.00 -3.74 9.09 3.72 -1.26 -4.88 117.46 124.74 1uhu n PHE 56 Ca -0.20 -2.39 -0.38 0.00 -0.05 0.00 0.00 57.45 54.43 1uhu n PHE 56 Cb 0.56 -1.11 -0.12 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.27 5.32 0.54 4.37 2.15 -1.26 -4.82 116.67 121.70 1uhu s ASP 57 Ca 0.51 -1.05 0.25 0.00 0.43 0.00 0.00 52.55 52.68 1uhu s ASP 57 Cb 0.43 -1.88 1.43 0.00 -0.30 0.00 0.00 42.92 42.59 1uhu s ASP 57 CO -0.39 -0.31 2.04 0.25 -0.17 0.00 0.00 175.17 176.59 1uhu h LEU 58 N 8.24 0.00 0.38 -1.34 6.46 -1.94 0.54 115.31 127.65 1uhu h LEU 58 Ca -0.25 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.49 1uhu h LEU 58 Cb 1.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1uhu h LEU 58 CO 0.61 0.00 -0.18 0.74 -0.62 0.00 0.00 178.44 178.99 1uhu h THR 59 N 0.00 0.63 -0.28 1.05 2.02 -1.98 0.13 112.91 114.48 1uhu h THR 59 Ca 0.18 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1uhu h THR 59 Cb 0.75 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1uhu h THR 59 CO -0.00 0.06 -0.16 1.62 0.37 0.00 0.00 175.52 177.41 1uhu h VAL 60 N -0.68 1.30 -0.94 3.16 3.04 -1.63 -2.73 116.25 117.77 1uhu h VAL 60 Ca -0.05 -1.27 0.14 0.00 -1.01 0.00 0.00 66.70 64.51 1uhu h VAL 60 Cb 0.48 1.52 -0.08 0.00 -2.01 0.00 0.00 31.29 31.21 1uhu h VAL 60 CO 0.08 0.40 0.60 0.40 -1.01 0.00 0.00 177.57 178.05 1uhu h ILE 61 N 0.34 0.85 0.00 3.17 2.04 0.07 0.53 117.51 124.51 1uhu h ILE 61 Ca 0.06 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1uhu h ILE 61 Cb 0.69 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1uhu h ILE 61 CO 0.05 0.15 -0.24 -0.26 0.00 0.00 0.00 178.15 177.85 1uhu h PHE 62 N 0.81 0.00 0.04 1.37 -1.00 -0.48 0.21 116.94 117.89 1uhu h PHE 62 Ca 0.48 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.26 1uhu h PHE 62 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1uhu h PHE 62 CO -0.00 0.24 -0.02 0.93 -1.61 0.00 0.00 178.31 177.85 1uhu h GLU 63 N 0.00 -0.05 -0.73 1.51 4.39 0.27 -1.57 114.58 118.40 1uhu h GLU 63 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1uhu h GLU 63 Cb 0.58 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1uhu h GLU 63 CO 0.03 0.63 0.20 0.28 -1.16 0.00 0.00 179.01 178.98 1uhu h VAL 64 N -0.89 1.26 0.30 3.13 2.07 -0.97 -1.89 116.25 119.26 1uhu h VAL 64 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1uhu h VAL 64 Cb 0.69 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1uhu h VAL 64 CO 0.01 0.37 -0.14 0.50 0.02 0.00 0.00 177.57 178.33 1uhu h LYS 65 N 1.09 -0.39 -0.97 1.57 3.64 -0.67 -0.94 116.57 119.90 1uhu h LYS 65 Ca 0.23 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.85 1uhu h LYS 65 Cb 0.35 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1uhu h LYS 65 CO -0.00 -0.22 0.62 0.00 -2.27 0.00 0.00 179.45 177.58 1uhu h ALA 66 N 0.24 2.01 0.28 5.00 0.00 -1.09 1.79 119.26 127.49 1uhu h ALA 66 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1uhu h ALA 66 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1uhu h ALA 66 CO 0.07 -0.36 -0.14 0.82 0.00 0.00 0.00 179.25 179.64 1uhu h ILE 67 N 0.54 0.75 0.00 0.00 2.04 -0.61 0.13 117.51 120.37 1uhu h ILE 67 Ca 0.54 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 1uhu h ILE 67 Cb 1.14 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1uhu h ILE 67 CO -0.28 0.06 -0.25 -0.37 0.00 0.00 0.00 178.15 177.31 1uhu h VAL 68 N -0.54 0.84 -0.95 1.67 -1.51 0.41 -2.14 116.25 114.04 1uhu h VAL 68 Ca -0.04 -1.01 -0.46 0.00 -1.23 0.00 0.00 66.70 63.97 1uhu h VAL 68 Cb 0.40 1.61 -0.27 0.00 -2.13 0.00 0.00 31.29 30.89 1uhu h VAL 68 CO 0.06 0.25 0.58 0.49 -1.23 0.00 0.00 177.57 177.72 1uhu n PHE 69 N -3.74 2.95 -1.40 5.19 3.72 0.59 -0.18 117.46 124.60 1uhu n PHE 69 Ca -0.01 -1.71 -0.07 0.00 -0.05 0.00 0.00 57.45 55.60 1uhu n PHE 69 Cb 0.36 -0.90 0.05 0.00 -0.94 0.00 0.00 39.48 38.05 1uhu n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uhu n GLN 70 N -0.93 -0.21 -4.25 -1.08 10.64 0.42 -4.87 117.38 117.10 1uhu n GLN 70 Ca 0.56 -0.54 -0.34 0.00 -1.83 0.00 0.00 57.00 54.85 1uhu n GLN 70 Cb 1.62 -0.32 -0.08 0.00 -0.86 0.00 0.00 30.24 30.60 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 -2.19 5.38 0.00 2.61 2.15 -1.26 -4.60 116.67 118.76 1uhu s ASP 71 Ca 0.19 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.28 1uhu s ASP 71 Cb -0.01 -1.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 1uhu s ASP 71 CO 0.13 0.33 0.00 0.61 -0.17 0.00 0.00 175.17 176.06 1uhu n GLY 72 N 1.68 -2.75 0.00 2.66 0.00 -1.26 -4.52 105.19 101.00 1uhu n GLY 72 Ca -0.16 -2.14 0.11 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 -0.11 0.43 0.12 1.61 -0.04 -1.26 -2.81 135.00 132.94 1uhu n PRO 73 Ca 0.00 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1uhu n PRO 73 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 3.74 0.05 -1.28 0.55 0.00 -1.95 -3.45 103.07 100.72 1uhu h GLY 74 Ca 0.00 -0.07 -0.47 0.00 0.00 0.00 0.00 47.33 46.79 1uhu h GLY 74 CO 0.00 0.06 -0.17 -1.14 0.00 0.00 0.00 176.54 175.29 1uhu n SER 75 N -3.73 -1.38 -3.77 0.19 3.41 -1.12 -4.89 113.62 102.32 1uhu n SER 75 Ca -0.01 0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 1uhu n SER 75 Cb 0.68 -1.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.22 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 -2.43 2.05 -1.24 7.33 0.09 0.75 -4.95 115.29 116.88 1uhu s HIS 76 Ca 0.65 -2.06 0.22 0.00 -0.00 0.00 0.00 55.06 53.87 1uhu s HIS 76 Cb -0.23 -1.92 1.06 0.00 -0.00 0.00 0.00 32.58 31.49 1uhu s HIS 76 CO 0.64 -0.87 1.73 -0.35 -0.00 0.00 0.00 174.74 175.89 1uhu n PRO 77 N 4.48 0.18 0.06 8.40 -0.04 -1.26 -0.94 135.00 145.88 1uhu n PRO 77 Ca 0.01 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1uhu n PRO 77 Cb 0.40 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 1uhu n PRO 77 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1uhu h ASP 78 N 0.00 0.59 1.04 3.54 1.82 -1.94 -3.34 116.42 118.13 1uhu h ASP 78 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 1uhu h ASP 78 Cb 0.28 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1uhu h ASP 78 CO 0.00 1.80 -0.64 1.56 -1.61 0.00 0.00 179.24 180.35 1uhu h GLN 79 N 0.09 0.00 -0.57 0.28 4.20 -1.91 -3.35 115.11 113.85 1uhu h GLN 79 Ca -0.36 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.47 1uhu h GLN 79 Cb 2.08 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.76 1uhu h GLN 79 CO 0.16 0.00 -0.10 1.96 -0.67 0.00 0.00 178.83 180.18 1uhu h GLN 80 N 0.00 0.03 0.00 1.46 4.20 -1.16 1.23 115.11 120.87 1uhu h GLN 80 Ca 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1uhu h GLN 80 Cb 0.84 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1uhu h GLN 80 CO 0.00 0.02 -0.20 -1.00 -0.67 0.00 0.00 178.83 176.97 1uhu h PRO 81 N 0.03 0.00 0.00 1.46 0.13 -1.75 -1.80 132.00 130.08 1uhu h PRO 81 Ca 0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1uhu h PRO 81 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1uhu h PRO 81 CO -0.56 0.20 -0.00 1.88 -0.23 0.00 0.00 178.00 179.29 1uhu h TYR 82 N 0.00 -0.01 -0.12 1.56 -1.99 -0.60 -3.18 116.97 112.63 1uhu h TYR 82 Ca -0.00 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1uhu h TYR 82 Cb 0.91 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 1uhu h TYR 82 CO 0.00 0.77 -0.29 0.97 -0.00 0.00 0.00 178.16 179.61 1uhu h ILE 83 N -0.80 1.25 -0.67 -2.88 6.09 0.13 -2.75 117.51 117.89 1uhu h ILE 83 Ca -0.00 -1.20 0.11 0.00 -1.37 0.00 0.00 64.86 62.39 1uhu h ILE 83 Cb 0.78 1.49 -0.08 0.00 0.47 0.00 0.00 36.82 39.48 1uhu h ILE 83 CO 0.00 0.36 0.27 0.74 -3.07 0.00 0.00 178.15 176.45 1uhu h THR 84 N 0.20 0.75 -0.50 2.19 2.02 -1.37 0.82 112.91 117.02 1uhu h THR 84 Ca 0.03 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1uhu h THR 84 Cb 0.62 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1uhu h THR 84 CO 0.05 0.08 0.15 0.58 0.37 0.00 0.00 175.52 176.75 1uhu h VAL 85 N 0.45 1.23 -0.26 3.16 2.07 -1.47 -1.90 116.25 119.53 1uhu h VAL 85 Ca 0.34 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1uhu h VAL 85 Cb 0.45 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1uhu h VAL 85 CO -0.33 0.29 -0.14 -0.50 0.02 0.00 0.00 177.57 176.91 1uhu h TRP 86 N 0.68 -0.34 -0.85 1.57 4.06 -0.95 0.98 115.95 121.10 1uhu h TRP 86 Ca 0.16 0.03 0.12 0.00 2.06 0.00 0.00 58.89 61.26 1uhu h TRP 86 Cb 0.29 0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.57 1uhu h TRP 86 CO 0.02 -0.21 0.55 0.37 -3.56 0.00 0.00 178.44 175.61 1uhu h GLN 87 N -0.11 0.70 -0.09 0.49 -0.00 -0.60 0.15 115.11 115.65 1uhu h GLN 87 Ca 0.14 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.65 58.56 1uhu h GLN 87 Cb 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 1uhu h GLN 87 CO -0.33 0.47 -0.72 0.22 0.00 0.00 0.00 178.83 178.47 1uhu h ASP 88 N 0.72 0.54 0.36 -0.69 3.58 0.08 -0.08 116.42 120.93 1uhu h ASP 88 Ca 0.41 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1uhu h ASP 88 Cb 0.59 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1uhu h ASP 88 CO -0.18 1.09 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.97 1uhu h LEU 89 N 0.31 -0.60 -0.16 2.28 3.38 0.35 0.20 115.31 121.08 1uhu h LEU 89 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1uhu h LEU 89 Cb 1.30 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1uhu h LEU 89 CO 0.13 -0.37 0.05 -0.37 0.09 0.00 0.00 178.44 177.97 1uhu h VAL 90 N -0.58 1.18 -0.38 1.22 -1.51 -1.15 -1.13 116.25 113.90 1uhu h VAL 90 Ca -0.03 -0.55 0.07 0.00 -1.23 0.00 0.00 66.70 64.96 1uhu h VAL 90 Cb 0.49 1.24 -0.09 0.00 -2.13 0.00 0.00 31.29 30.80 1uhu h VAL 90 CO 0.02 0.17 -0.37 1.56 -1.23 0.00 0.00 177.57 177.73 1uhu h GLN 91 N 0.08 -0.28 -2.26 5.19 1.08 -0.79 -2.19 115.11 115.94 1uhu h GLN 91 Ca 0.05 0.02 -0.73 0.00 -1.45 0.00 0.00 58.65 56.55 1uhu h GLN 91 Cb 0.21 0.06 -0.33 0.00 -0.05 0.00 0.00 27.48 27.38 1uhu h GLN 91 CO -0.00 -0.19 0.39 0.09 -0.95 0.00 0.00 178.83 178.17 1uhu n ASN 92 N -5.42 6.27 -3.56 1.46 3.02 0.69 -5.03 115.26 112.70 1uhu n ASN 92 Ca 0.00 -3.69 -0.51 0.00 -0.03 0.00 0.00 54.58 50.36 1uhu n ASN 92 Cb 0.34 -0.93 -0.09 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.14 0.75 -4.80 6.41 3.41 -0.44 -4.82 113.62 114.00 1uhu n SER 93 Ca 0.41 0.71 -0.29 0.00 -0.26 0.00 0.00 58.87 59.43 1uhu n SER 93 Cb 0.31 -0.71 0.11 0.00 -0.26 0.00 0.00 64.21 63.66 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 3.84 1.70 0.39 4.33 0.04 -1.26 -4.80 135.00 139.25 1uhu s PRO 94 Ca 0.91 0.49 0.21 0.00 0.04 0.00 0.00 61.00 62.65 1uhu s PRO 94 Cb -1.20 -1.89 0.59 0.00 0.04 0.00 0.00 34.50 32.04 1uhu s PRO 94 CO 0.58 -1.85 1.68 -1.00 0.04 0.00 0.00 177.00 176.44 1uhu h PRO 95 N -1.25 0.00 -0.00 0.56 0.13 -1.90 0.13 132.00 129.66 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uhu h PRO 95 CO 0.60 0.30 -0.04 -2.67 -0.23 0.00 0.00 178.00 175.97 1uhu n TRP 96 N -3.32 0.00 -0.04 1.56 4.27 -1.26 -4.03 117.44 114.62 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 0.54 -0.33 -0.02 0.00 -1.36 0.00 0.00 31.31 30.14 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 -1.32 1.03 -3.67 -1.67 5.41 -0.90 -4.53 119.36 113.72 1uhu n ILE 97 Ca 0.12 0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.99 1uhu n ILE 97 Cb 0.28 -1.91 -0.13 0.00 -0.71 0.00 0.00 39.64 37.16 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 -2.19 0.15 -0.22 0.38 -0.14 0.39 -4.88 119.74 113.24 1uhu s LYS 98 Ca -0.15 0.74 0.01 0.00 -1.36 0.00 0.00 55.97 55.22 1uhu s LYS 98 Cb 0.02 -0.03 0.05 0.00 -1.68 0.00 0.00 37.83 36.19 1uhu s LYS 98 CO 0.22 -0.28 -0.09 0.45 -0.76 0.00 0.00 175.35 174.90 1uhu s SER 99 N 2.36 3.67 0.88 2.83 0.15 -1.26 -4.31 113.70 118.03 1uhu s SER 99 Ca 0.01 -1.05 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 1uhu s SER 99 Cb -0.12 -1.25 0.12 0.00 -1.71 0.00 0.00 66.02 63.06 1uhu s SER 99 CO -0.09 -0.18 1.16 -0.83 1.20 0.00 0.00 173.24 174.50 1uhu s GLY 100 N 1.36 1.59 -0.84 9.45 0.00 -1.26 -4.89 107.32 112.74 1uhu s GLY 100 Ca -0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 1uhu s GLY 100 CO -0.07 -0.05 2.60 -1.55 0.00 0.00 0.00 173.10 174.02 1uhu n PRO 101 N -3.63 2.38 -1.89 2.90 -0.04 -1.26 -4.87 135.00 128.60 1uhu n PRO 101 Ca 0.07 -1.45 -0.39 0.00 -0.04 0.00 0.00 63.50 61.69 1uhu n PRO 101 Cb 0.60 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1uhu n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uhu s SER 102 N 2.68 5.19 -0.20 3.54 0.01 -1.26 -4.94 113.70 118.72 1uhu s SER 102 Ca 0.52 0.80 -0.05 0.00 1.31 0.00 0.00 55.95 58.53 1uhu s SER 102 Cb 0.17 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1uhu s SER 102 CO -0.03 -2.35 -0.01 -0.55 0.41 0.00 0.00 173.24 170.71 1uhu s SER 103 N 8.73 4.70 0.00 2.44 0.15 -1.26 -5.27 113.70 123.19 1uhu s SER 103 Ca 0.79 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1uhu s SER 103 Cb -0.17 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1uhu s SER 103 CO 0.25 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.36