#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 -0.08 0.22 1.61 1.04 -1.26 -5.19 113.70 110.05 1uhu s SER 1 Ca 0.00 0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.36 1uhu s SER 1 Cb 0.00 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.28 1uhu s SER 1 CO 0.00 -0.04 0.60 -0.55 0.98 0.00 0.00 173.24 174.24 1uhu s SER 2 N -0.25 -0.32 0.29 7.02 0.15 -1.26 -5.19 113.70 114.14 1uhu s SER 2 Ca 0.07 -0.44 0.05 0.00 0.70 0.00 0.00 55.95 56.34 1uhu s SER 2 Cb -0.04 0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1uhu s SER 2 CO -0.13 -1.14 0.28 0.61 1.20 0.00 0.00 173.24 174.06 1uhu n GLY 3 N -0.39 2.92 3.91 9.45 0.00 -1.26 -5.17 105.19 114.65 1uhu n GLY 3 Ca -0.09 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.97 5.43 -0.43 1.61 0.01 -1.26 -4.92 113.70 111.16 1uhu s SER 4 Ca 0.33 0.74 -0.44 0.00 1.31 0.00 0.00 55.95 57.88 1uhu s SER 4 Cb 0.01 -1.64 -0.18 0.00 0.21 0.00 0.00 66.02 64.42 1uhu s SER 4 CO 0.23 -1.21 1.73 -1.20 0.41 0.00 0.00 173.24 173.20 1uhu n SER 5 N -2.72 1.53 0.00 2.44 7.64 -1.26 -4.82 113.62 116.44 1uhu n SER 5 Ca 0.05 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1uhu n SER 5 Cb 0.58 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1uhu n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhu n GLY 6 N 4.57 3.06 3.57 0.23 0.00 -1.26 -5.18 105.19 110.18 1uhu n GLY 6 Ca 0.33 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 2.65 -0.08 2.61 -4.23 -1.26 -5.04 115.64 110.28 1uhu s THR 7 Ca 0.00 -2.13 -0.27 0.00 -1.18 0.00 0.00 61.69 58.11 1uhu s THR 7 Cb 0.00 -2.64 -0.23 0.00 1.34 0.00 0.00 72.50 70.97 1uhu s THR 7 CO 0.00 -0.28 1.01 1.55 -0.54 0.00 0.00 174.62 176.36 1uhu h PRO 8 N 1.99 -0.00 -0.84 3.99 0.13 -1.83 0.39 132.00 135.82 1uhu h PRO 8 Ca -0.42 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.83 1uhu h PRO 8 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1uhu h PRO 8 CO 0.65 0.74 0.46 1.25 -0.23 0.00 0.00 178.00 180.87 1uhu h LEU 9 N -0.75 0.62 -0.13 1.56 5.85 -1.71 0.84 115.31 121.59 1uhu h LEU 9 Ca -0.00 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1uhu h LEU 9 Cb 0.75 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1uhu h LEU 9 CO 0.00 0.32 -0.19 -1.28 -0.34 0.00 0.00 178.44 176.95 1uhu h SER 10 N 0.73 0.38 -0.83 1.25 0.87 -1.82 -0.08 113.55 114.05 1uhu h SER 10 Ca 0.43 -0.53 0.06 0.00 -1.23 0.00 0.00 61.79 60.52 1uhu h SER 10 Cb 0.49 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 1uhu h SER 10 CO -0.30 0.83 0.51 -0.07 -0.53 0.00 0.00 176.83 177.28 1uhu h LEU 11 N -0.06 0.81 0.31 2.23 3.38 0.20 1.16 115.31 123.34 1uhu h LEU 11 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1uhu h LEU 11 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1uhu h LEU 11 CO 0.04 0.53 -0.15 0.71 0.09 0.00 0.00 178.44 179.66 1uhu h THR 12 N 0.95 0.70 -0.73 0.22 1.35 0.71 -2.69 112.91 113.43 1uhu h THR 12 Ca 0.36 -0.55 0.04 0.00 -0.55 0.00 0.00 66.41 65.70 1uhu h THR 12 Cb 0.14 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 67.50 1uhu h THR 12 CO -0.16 0.11 0.45 -0.07 -0.25 0.00 0.00 175.52 175.59 1uhu h LEU 13 N -0.73 0.71 -2.27 3.87 3.38 -0.65 0.31 115.31 119.93 1uhu h LEU 13 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uhu h LEU 13 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uhu h LEU 13 CO 0.07 0.48 0.19 0.44 0.09 0.00 0.00 178.44 179.71 1uhu h ASP 14 N 0.85 0.00 -0.51 -0.43 3.32 0.15 0.21 116.42 120.01 1uhu h ASP 14 Ca 0.30 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.99 1uhu h ASP 14 Cb 0.08 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.27 1uhu h ASP 14 CO -0.14 0.00 -0.86 1.41 -1.72 0.00 0.00 179.24 177.93 1uhu n HIS 15 N -2.88 1.79 -0.34 4.55 8.25 0.95 -4.82 115.22 122.73 1uhu n HIS 15 Ca -0.02 -1.98 0.21 0.00 -0.26 0.00 0.00 57.72 55.67 1uhu n HIS 15 Cb 0.25 -0.29 0.47 0.00 1.12 0.00 0.00 29.99 31.53 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 2.04 0.80 -0.88 4.41 -0.00 0.84 0.94 115.95 124.09 1uhu h TRP 16 Ca 0.15 0.03 0.13 0.00 -0.00 0.00 0.00 58.89 59.20 1uhu h TRP 16 Cb 1.42 -0.23 -0.09 0.00 -0.00 0.00 0.00 29.16 30.26 1uhu h TRP 16 CO 0.70 0.04 0.50 0.77 -0.00 0.00 0.00 178.44 180.45 1uhu h SER 17 N 0.45 0.66 -0.17 2.65 0.02 -1.86 0.89 113.55 116.21 1uhu h SER 17 Ca 0.63 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.58 1uhu h SER 17 Cb 1.45 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 1uhu h SER 17 CO -0.38 0.32 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.38 1uhu h GLU 18 N 0.75 0.41 -0.36 3.45 4.57 0.52 -1.47 114.58 122.45 1uhu h GLU 18 Ca 0.46 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1uhu h GLU 18 Cb 0.56 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1uhu h GLU 18 CO -0.31 0.78 0.14 0.82 -1.18 0.00 0.00 179.01 179.27 1uhu h ILE 19 N 0.05 1.14 -0.07 2.32 1.08 -0.16 -0.30 117.51 121.58 1uhu h ILE 19 Ca 0.03 -0.43 -0.13 0.00 -0.39 0.00 0.00 64.86 63.93 1uhu h ILE 19 Cb 0.71 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1uhu h ILE 19 CO 0.04 0.17 -0.55 0.03 -0.69 0.00 0.00 178.15 177.15 1uhu h ARG 20 N 0.50 0.19 -0.19 2.37 3.08 0.93 -2.83 114.38 118.45 1uhu h ARG 20 Ca 0.13 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1uhu h ARG 20 Cb 0.10 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1uhu h ARG 20 CO -0.01 0.69 -0.31 1.03 -1.07 0.00 0.00 179.97 180.30 1uhu h SER 21 N 0.15 0.59 -0.58 7.04 0.87 -0.09 -2.95 113.55 118.59 1uhu h SER 21 Ca 0.00 -0.53 0.08 0.00 -1.23 0.00 0.00 61.79 60.11 1uhu h SER 21 Cb 1.01 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1uhu h SER 21 CO 0.08 1.01 0.39 0.03 -0.53 0.00 0.00 176.83 177.81 1uhu h ARG 22 N 0.20 0.43 -0.58 2.24 2.47 -1.04 0.19 114.38 118.29 1uhu h ARG 22 Ca 0.01 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1uhu h ARG 22 Cb 0.90 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 1uhu h ARG 22 CO 0.07 0.28 0.12 0.00 0.56 0.00 0.00 179.97 181.00 1uhu h ALA 23 N 1.70 0.77 -0.61 0.04 0.00 -1.36 0.57 119.26 120.37 1uhu h ALA 23 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uhu h ALA 23 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1uhu h ALA 23 CO -0.07 0.49 0.32 1.25 0.00 0.00 0.00 179.25 181.24 1uhu h HIS 24 N 0.84 0.85 -0.19 0.00 6.17 -0.84 1.36 115.15 123.35 1uhu h HIS 24 Ca 0.18 -0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.08 1uhu h HIS 24 Cb 0.39 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 1uhu h HIS 24 CO 0.03 0.63 -0.49 -0.91 0.71 0.00 0.00 177.93 177.89 1uhu h ASN 25 N 0.83 0.56 0.89 3.26 2.35 -0.95 -2.21 115.58 120.32 1uhu h ASN 25 Ca 0.21 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1uhu h ASN 25 Cb 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1uhu h ASN 25 CO -0.03 0.96 -0.03 0.18 -1.65 0.00 0.00 177.43 176.86 1uhu n LEU 26 N -3.98 0.04 -2.68 1.61 4.77 0.19 -4.91 117.00 112.04 1uhu n LEU 26 Ca -0.02 0.43 -0.16 0.00 -0.03 0.00 0.00 56.01 56.23 1uhu n LEU 26 Cb 0.57 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1uhu n LEU 26 CO 0.46 0.01 0.15 -1.20 -1.33 0.00 0.00 177.39 175.48 1uhu n SER 27 N -1.45 -4.36 -3.98 -1.43 7.64 0.37 -5.02 113.62 105.39 1uhu n SER 27 Ca 0.08 -0.39 -0.09 0.00 1.01 0.00 0.00 58.87 59.48 1uhu n SER 27 Cb 0.32 -3.70 -0.11 0.00 -1.01 0.00 0.00 64.21 59.72 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 -3.23 0.13 -0.04 0.44 -7.23 0.37 -4.99 120.40 105.84 1uhu s VAL 28 Ca 0.31 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1uhu s VAL 28 Cb -0.14 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.20 1uhu s VAL 28 CO 0.51 -0.59 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.91 1uhu s GLU 29 N -2.03 2.58 0.10 4.82 2.56 -1.26 -3.78 118.70 121.69 1uhu s GLU 29 Ca -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 54.97 54.18 1uhu s GLU 29 Cb -0.06 -2.47 -0.03 0.00 2.00 0.00 0.00 34.13 33.57 1uhu s GLU 29 CO -0.03 0.63 0.05 0.96 -0.56 0.00 0.00 175.26 176.32 1uhu s ILE 30 N -0.81 0.15 0.36 -3.70 -4.36 -1.26 -4.94 121.20 106.63 1uhu s ILE 30 Ca 0.13 -1.76 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1uhu s ILE 30 Cb -0.11 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 1uhu s ILE 30 CO 0.02 -0.68 0.07 -0.54 0.24 0.00 0.00 174.94 174.06 1uhu s LYS 31 N -3.97 2.16 0.06 0.37 -0.14 -1.26 -5.03 119.74 111.93 1uhu s LYS 31 Ca 0.15 -1.75 0.24 0.00 -1.36 0.00 0.00 55.97 53.25 1uhu s LYS 31 Cb 0.07 -1.97 0.21 0.00 -1.68 0.00 0.00 37.83 34.46 1uhu s LYS 31 CO -0.04 0.07 1.18 1.17 -0.76 0.00 0.00 175.35 176.96 1uhu n LYS 32 N -1.05 0.22 -0.07 1.68 4.81 -1.26 -2.71 118.16 119.77 1uhu n LYS 32 Ca -0.03 0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 1uhu n LYS 32 Cb 0.63 -1.59 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 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 4.65 0.00 1.33 3.14 0.00 -2.00 -3.27 103.07 106.93 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 -0.91 -0.56 0.00 0.00 0.00 176.54 175.07 1uhu h PRO 34 N -1.00 0.62 -1.01 4.80 0.13 -1.99 -2.23 132.00 131.32 1uhu h PRO 34 Ca -0.02 -0.60 0.23 0.00 -0.87 0.00 0.00 66.00 64.74 1uhu h PRO 34 Cb 0.98 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 1uhu h PRO 34 CO -0.01 1.21 0.62 2.35 -0.23 0.00 0.00 178.00 181.94 1uhu h TRP 35 N 0.38 0.93 0.00 1.56 2.91 -1.68 1.17 115.95 121.23 1uhu h TRP 35 Ca -0.09 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1uhu h TRP 35 Cb 1.55 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1uhu h TRP 35 CO 0.08 0.12 -0.07 -0.09 -1.03 0.00 0.00 178.44 177.45 1uhu h ARG 36 N 0.59 0.05 -0.11 2.65 2.43 -1.59 -2.77 114.38 115.63 1uhu h ARG 36 Ca 0.60 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.76 1uhu h ARG 36 Cb 1.18 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 1uhu h ARG 36 CO -0.39 0.86 -0.17 1.15 -1.51 0.00 0.00 179.97 179.91 1uhu h THR 37 N -0.75 0.56 -0.12 0.20 2.02 -0.41 1.42 112.91 115.83 1uhu h THR 37 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1uhu h THR 37 Cb 0.89 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1uhu h THR 37 CO 0.01 0.00 0.09 -0.26 0.37 0.00 0.00 175.52 175.74 1uhu h PHE 38 N -0.23 0.00 -0.49 3.16 0.04 0.12 0.38 116.94 119.92 1uhu h PHE 38 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1uhu h PHE 38 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1uhu h PHE 38 CO -0.27 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.44 1uhu n ALA 40 N 0.54 0.91 -2.57 0.00 0.00 0.47 -4.68 120.51 115.16 1uhu n ALA 40 Ca 0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 1uhu n ALA 40 Cb 0.88 0.04 0.06 0.00 0.00 0.00 0.00 19.45 20.42 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 -4.44 -0.27 -0.02 0.00 2.88 -0.90 -4.82 113.62 106.04 1uhu n SER 41 Ca -0.16 -2.10 -0.04 0.00 -1.33 0.00 0.00 58.87 55.23 1uhu n SER 41 Cb 0.54 0.18 -0.01 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 -0.77 0.09 0.03 -1.46 4.07 -1.21 -4.36 120.64 117.02 1uhu n GLU 42 Ca -0.10 0.04 -0.19 0.00 -0.06 0.00 0.00 57.16 56.85 1uhu n GLU 42 Cb 0.86 -0.67 -0.12 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 -0.14 0.66 0.00 4.31 6.55 -1.10 -3.08 115.95 123.15 1uhu h TRP 43 Ca -0.10 -0.40 0.00 0.00 0.95 0.00 0.00 58.89 59.34 1uhu h TRP 43 Cb 1.09 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 1uhu h TRP 43 CO -0.01 1.25 0.00 -0.35 -1.05 0.00 0.00 178.44 178.28 1uhu n PRO 44 N -4.12 0.75 -0.23 0.49 -0.04 -1.26 -2.08 135.00 128.51 1uhu n PRO 44 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1uhu n PRO 44 Cb 0.77 -1.33 0.17 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.83 1.35 1.13 0.52 -2.24 -1.16 -4.39 114.28 108.65 1uhu n THR 45 Ca 0.12 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.76 1uhu n THR 45 Cb 0.05 0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.12 0.00 -2.74 4.78 3.01 -0.88 -4.98 117.46 116.76 1uhu n PHE 46 Ca 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.57 1uhu n PHE 46 Cb 0.53 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 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 -0.11 -5.30 0.00 4.37 9.92 -1.26 -4.99 116.55 119.18 1uhu n ASP 47 Ca 0.11 1.30 0.00 0.00 -0.53 0.00 0.00 54.79 55.68 1uhu n ASP 47 Cb 0.43 -4.82 0.00 0.00 -0.64 0.00 0.00 41.12 36.08 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 1.20 0.00 0.00 2.53 0.24 -1.26 -5.03 118.33 116.00 1uhu n VAL 48 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1uhu n VAL 48 Cb 0.27 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.42 0.00 3.38 7.63 0.00 -1.26 -5.12 105.19 108.40 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 3.18 0.94 1.61 -0.11 -1.26 -4.94 118.94 118.36 1uhu s TRP 50 Ca 0.00 -0.85 -0.13 0.00 1.22 0.00 0.00 56.10 56.34 1uhu s TRP 50 Cb 0.00 -2.32 0.16 0.00 -1.50 0.00 0.00 33.47 29.81 1uhu s TRP 50 CO 0.00 -0.55 1.15 -1.25 -4.62 0.00 0.00 176.95 171.68 1uhu s PRO 51 N 1.54 0.90 0.00 5.86 0.04 -1.26 -4.08 135.00 138.00 1uhu s PRO 51 Ca 0.03 0.19 0.22 0.00 0.04 0.00 0.00 61.00 61.49 1uhu s PRO 51 Cb -0.18 -1.82 1.33 0.00 0.04 0.00 0.00 34.50 33.87 1uhu s PRO 51 CO 0.04 -2.34 1.72 -0.35 0.04 0.00 0.00 177.00 176.11 1uhu n PRO 52 N -3.85 0.75 -0.00 0.56 -0.04 -1.26 -2.15 135.00 129.01 1uhu n PRO 52 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1uhu n PRO 52 Cb 0.59 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.96 4.98 0.00 0.54 4.71 -1.26 -4.83 120.64 123.81 1uhu n GLU 53 Ca 0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1uhu n GLU 53 Cb 0.08 -0.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 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 1.23 -0.34 3.45 0.62 0.00 -0.91 -1.95 105.19 107.29 1uhu n GLY 54 Ca 0.01 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.39 0.00 -0.64 2.61 -1.32 -1.26 -4.56 115.64 109.08 1uhu s THR 55 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1uhu s THR 55 Cb 0.00 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.39 1uhu s THR 55 CO 0.00 0.00 1.66 0.49 -2.21 0.00 0.00 174.62 174.56 1uhu n PHE 56 N -0.08 3.13 -3.70 9.09 3.72 -1.26 -4.93 117.46 123.42 1uhu n PHE 56 Ca -0.17 -2.66 -0.38 0.00 -0.05 0.00 0.00 57.45 54.19 1uhu n PHE 56 Cb 0.63 -0.80 -0.11 0.00 -0.94 0.00 0.00 39.48 38.25 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 -2.21 5.42 0.56 4.37 2.15 -1.26 -4.79 116.67 120.90 1uhu s ASP 57 Ca 0.53 -1.40 0.29 0.00 0.43 0.00 0.00 52.55 52.40 1uhu s ASP 57 Cb 0.44 -1.90 1.46 0.00 -0.30 0.00 0.00 42.92 42.62 1uhu s ASP 57 CO -0.24 -0.43 1.92 0.25 -0.17 0.00 0.00 175.17 176.49 1uhu h LEU 58 N 8.26 0.00 0.30 -1.34 5.85 -1.92 0.25 115.31 126.70 1uhu h LEU 58 Ca -0.22 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1uhu h LEU 58 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1uhu h LEU 58 CO 0.67 0.00 -0.14 0.74 -0.34 0.00 0.00 178.44 179.37 1uhu h THR 59 N 0.00 0.72 -0.36 1.05 2.02 -1.99 0.29 112.91 114.64 1uhu h THR 59 Ca 0.30 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 67.22 1uhu h THR 59 Cb 1.34 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1uhu h THR 59 CO -0.00 0.03 -0.35 1.62 0.37 0.00 0.00 175.52 177.18 1uhu h VAL 60 N -0.46 1.28 -0.30 3.16 3.04 -1.31 -3.00 116.25 118.66 1uhu h VAL 60 Ca -0.04 -1.52 0.06 0.00 -1.01 0.00 0.00 66.70 64.18 1uhu h VAL 60 Cb 0.35 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 31.00 1uhu h VAL 60 CO 0.07 0.50 -0.04 0.40 -1.01 0.00 0.00 177.57 177.49 1uhu h ILE 61 N 0.68 0.74 -0.79 3.17 2.04 -0.47 0.61 117.51 123.49 1uhu h ILE 61 Ca 0.06 -0.01 0.16 0.00 1.00 0.00 0.00 64.86 66.07 1uhu h ILE 61 Cb 0.94 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1uhu h ILE 61 CO 0.09 0.01 0.53 -0.26 0.00 0.00 0.00 178.15 178.51 1uhu h PHE 62 N 0.04 0.48 0.09 1.37 -1.00 -0.34 1.22 116.94 118.80 1uhu h PHE 62 Ca 0.14 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 1uhu h PHE 62 Cb 0.21 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1uhu h PHE 62 CO -0.25 0.17 -0.04 0.93 -1.61 0.00 0.00 178.31 177.50 1uhu h GLU 63 N 0.40 -0.12 -0.60 1.51 4.39 -0.81 0.42 114.58 119.78 1uhu h GLU 63 Ca 0.39 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.02 1uhu h GLU 63 Cb 0.94 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1uhu h GLU 63 CO -0.13 0.31 0.05 0.28 -1.16 0.00 0.00 179.01 178.36 1uhu h VAL 64 N -0.59 1.26 0.03 3.13 2.07 -0.08 -1.83 116.25 120.25 1uhu h VAL 64 Ca -0.01 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1uhu h VAL 64 Cb 0.48 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1uhu h VAL 64 CO 0.02 0.39 -0.02 0.50 0.02 0.00 0.00 177.57 178.48 1uhu h LYS 65 N 0.94 -0.04 -0.28 1.57 3.64 0.15 -0.94 116.57 121.59 1uhu h LYS 65 Ca 0.18 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1uhu h LYS 65 Cb 0.48 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1uhu h LYS 65 CO 0.02 0.21 0.31 0.00 -2.27 0.00 0.00 179.45 177.72 1uhu h ALA 66 N 0.65 1.95 0.04 5.00 0.00 0.03 1.64 119.26 128.56 1uhu h ALA 66 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uhu h ALA 66 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uhu h ALA 66 CO 0.01 -0.46 -0.02 0.82 0.00 0.00 0.00 179.25 179.61 1uhu h ILE 67 N 0.00 1.37 0.00 0.00 2.04 -0.61 -2.15 117.51 118.16 1uhu h ILE 67 Ca 0.13 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.27 1uhu h ILE 67 Cb 0.75 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1uhu h ILE 67 CO -0.00 0.40 -0.39 -0.37 0.00 0.00 0.00 178.15 177.78 1uhu h VAL 68 N -0.82 1.16 -0.83 1.67 -1.51 0.28 -2.38 116.25 113.82 1uhu h VAL 68 Ca -0.00 -1.39 -0.38 0.00 -1.23 0.00 0.00 66.70 63.69 1uhu h VAL 68 Cb 0.69 1.78 -0.23 0.00 -2.13 0.00 0.00 31.29 31.40 1uhu h VAL 68 CO 0.01 0.38 0.48 0.49 -1.23 0.00 0.00 177.57 177.70 1uhu n PHE 69 N -3.90 2.60 -1.24 5.19 3.72 0.54 0.22 117.46 124.60 1uhu n PHE 69 Ca -0.01 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 1uhu n PHE 69 Cb 0.44 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -0.69 0.17 -3.99 -1.08 10.64 -0.81 -4.88 117.38 116.74 1uhu n GLN 70 Ca 0.49 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.44 1uhu n GLN 70 Cb 1.48 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.82 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 5.83 0.00 2.61 2.15 -1.26 -4.49 116.67 120.51 1uhu s ASP 71 Ca 0.00 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1uhu s ASP 71 Cb 0.00 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 1uhu s ASP 71 CO 0.00 -0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 1uhu n GLY 72 N -1.31 -2.31 0.00 2.66 0.00 -1.26 -4.17 105.19 98.80 1uhu n GLY 72 Ca -0.07 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.27 0.52 -0.05 1.61 -0.04 -1.26 -3.03 135.00 132.49 1uhu n PRO 73 Ca 0.00 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 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 3.74 0.78 -2.79 0.55 0.00 -1.94 -3.45 103.07 99.96 1uhu h GLY 74 Ca 0.00 -0.85 -0.57 0.00 0.00 0.00 0.00 47.33 45.92 1uhu h GLY 74 CO 0.00 0.76 -0.55 -1.14 0.00 0.00 0.00 176.54 175.61 1uhu n SER 75 N -4.01 -1.68 -3.97 0.19 3.41 -1.17 -4.87 113.62 101.53 1uhu n SER 75 Ca -0.03 0.58 -0.31 0.00 -0.26 0.00 0.00 58.87 58.86 1uhu n SER 75 Cb 0.57 -1.15 -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 -1.91 3.37 -1.02 7.33 0.09 0.13 -4.94 115.29 118.34 1uhu s HIS 76 Ca 0.63 -2.75 0.22 0.00 -0.00 0.00 0.00 55.06 53.16 1uhu s HIS 76 Cb -0.36 -2.68 0.94 0.00 -0.00 0.00 0.00 32.58 30.48 1uhu s HIS 76 CO 0.60 -0.93 1.70 -0.35 -0.00 0.00 0.00 174.74 175.75 1uhu n PRO 77 N 4.37 0.02 0.04 8.40 -0.04 -1.26 -0.56 135.00 145.96 1uhu n PRO 77 Ca 0.02 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 1uhu n PRO 77 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.45 1.01 3.54 1.82 -1.95 -3.35 116.42 117.94 1uhu h ASP 78 Ca 0.00 -0.81 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 1uhu h ASP 78 Cb 0.37 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1uhu h ASP 78 CO 0.00 1.70 -0.67 1.56 -1.61 0.00 0.00 179.24 180.22 1uhu h GLN 79 N 0.08 0.00 -0.60 0.28 4.20 -1.92 -3.36 115.11 113.79 1uhu h GLN 79 Ca -0.36 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.48 1uhu h GLN 79 Cb 2.05 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.73 1uhu h GLN 79 CO 0.13 0.00 -0.08 1.96 -0.67 0.00 0.00 178.83 180.18 1uhu h GLN 80 N 0.00 0.05 0.00 1.46 4.20 -0.95 1.44 115.11 121.30 1uhu h GLN 80 Ca 0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1uhu h GLN 80 Cb 0.84 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1uhu h GLN 80 CO 0.00 0.03 -0.24 -1.00 -0.67 0.00 0.00 178.83 176.95 1uhu h PRO 81 N 0.05 0.00 0.00 1.46 0.13 -1.76 -2.10 132.00 129.78 1uhu h PRO 81 Ca 0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1uhu h PRO 81 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1uhu h PRO 81 CO -0.57 0.24 -0.02 1.88 -0.23 0.00 0.00 178.00 179.30 1uhu h TYR 82 N 0.00 0.02 0.00 1.56 -1.99 -0.52 -2.85 116.97 113.18 1uhu h TYR 82 Ca -0.00 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1uhu h TYR 82 Cb 0.93 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 1uhu h TYR 82 CO 0.00 0.84 -0.19 0.97 -0.00 0.00 0.00 178.16 179.78 1uhu h ILE 83 N -0.81 0.70 0.08 -2.88 6.09 0.17 -2.80 117.51 118.05 1uhu h ILE 83 Ca -0.00 -0.80 -0.00 0.00 -1.37 0.00 0.00 64.86 62.68 1uhu h ILE 83 Cb 0.85 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1uhu h ILE 83 CO 0.00 0.19 -0.04 0.74 -3.07 0.00 0.00 178.15 175.97 1uhu h THR 84 N 0.00 1.11 -0.98 2.19 2.02 -1.40 -1.69 112.91 114.15 1uhu h THR 84 Ca -0.00 -0.66 0.12 0.00 0.77 0.00 0.00 66.41 66.64 1uhu h THR 84 Cb 0.49 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 1uhu h THR 84 CO 0.02 0.16 0.61 0.58 0.37 0.00 0.00 175.52 177.27 1uhu h VAL 85 N -0.40 0.92 -0.66 3.16 2.07 -1.26 0.44 116.25 120.52 1uhu h VAL 85 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1uhu h VAL 85 Cb 0.34 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1uhu h VAL 85 CO 0.02 0.18 0.35 -0.50 0.02 0.00 0.00 177.57 177.63 1uhu h TRP 86 N 0.98 0.90 -0.34 1.57 4.06 -1.31 0.63 115.95 122.44 1uhu h TRP 86 Ca 0.48 -0.02 -0.13 0.00 2.06 0.00 0.00 58.89 61.29 1uhu h TRP 86 Cb 0.47 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1uhu h TRP 86 CO -0.01 0.64 -0.30 0.37 -3.56 0.00 0.00 178.44 175.58 1uhu h GLN 87 N 0.92 0.73 0.00 0.49 4.15 0.68 -1.87 115.11 120.21 1uhu h GLN 87 Ca 0.23 -0.33 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 1uhu h GLN 87 Cb 0.05 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1uhu h GLN 87 CO -0.04 0.94 -0.67 0.22 -1.93 0.00 0.00 178.83 177.35 1uhu h ASP 88 N 0.62 0.00 0.25 -0.69 3.58 0.35 -2.27 116.42 118.27 1uhu h ASP 88 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1uhu h ASP 88 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1uhu h ASP 88 CO 0.07 0.67 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.90 1uhu h LEU 89 N 0.00 -0.28 -0.67 2.28 3.38 0.58 0.38 115.31 120.98 1uhu h LEU 89 Ca -0.01 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1uhu h LEU 89 Cb 1.25 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1uhu h LEU 89 CO 0.09 0.00 0.42 -0.37 0.09 0.00 0.00 178.44 178.67 1uhu h VAL 90 N -0.58 1.09 0.43 1.22 -1.51 -1.37 -0.96 116.25 114.58 1uhu h VAL 90 Ca -0.03 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 1uhu h VAL 90 Cb 0.42 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 1uhu h VAL 90 CO 0.06 0.15 -0.21 1.56 -1.23 0.00 0.00 177.57 177.90 1uhu h GLN 91 N 0.82 -0.56 -2.30 5.19 4.20 -1.27 -3.10 115.11 118.09 1uhu h GLN 91 Ca 0.27 0.04 -0.54 0.00 0.06 0.00 0.00 58.65 58.47 1uhu h GLN 91 Cb 0.01 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 1uhu h GLN 91 CO -0.10 -0.37 1.25 0.09 -0.67 0.00 0.00 178.83 179.03 1uhu n ASN 92 N -3.62 7.00 -3.73 1.46 3.02 0.13 -4.95 115.26 114.56 1uhu n ASN 92 Ca -0.07 -3.00 -0.53 0.00 -0.03 0.00 0.00 54.58 50.95 1uhu n ASN 92 Cb 0.23 -1.34 -0.10 0.00 -0.61 0.00 0.00 39.78 37.96 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 1.70 0.74 -4.80 6.41 3.41 -0.37 -4.80 113.62 115.90 1uhu n SER 93 Ca 0.55 0.70 -0.30 0.00 -0.26 0.00 0.00 58.87 59.56 1uhu n SER 93 Cb 0.49 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.77 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 4.41 2.06 0.40 4.33 0.04 -1.26 -4.85 135.00 140.14 1uhu s PRO 94 Ca 0.99 0.63 0.22 0.00 0.04 0.00 0.00 61.00 62.88 1uhu s PRO 94 Cb -1.28 -1.92 0.63 0.00 0.04 0.00 0.00 34.50 31.97 1uhu s PRO 94 CO 0.60 -1.64 1.70 -1.00 0.04 0.00 0.00 177.00 176.70 1uhu h PRO 95 N -1.10 0.00 0.00 0.56 0.13 -1.90 -0.01 132.00 129.68 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 0.25 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.92 1uhu n TRP 96 N -3.28 0.18 -0.10 1.56 4.27 -1.26 -3.86 117.44 114.94 1uhu n TRP 96 Ca 0.01 0.05 -0.15 0.00 -3.89 0.00 0.00 57.50 53.52 1uhu n TRP 96 Cb 0.52 -0.57 -0.05 0.00 -1.36 0.00 0.00 31.31 29.85 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 -1.65 1.51 -4.05 -1.67 5.41 -0.91 -5.02 119.36 112.99 1uhu n ILE 97 Ca 0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.79 1uhu n ILE 97 Cb 0.36 -2.21 -0.01 0.00 -0.71 0.00 0.00 39.64 37.07 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 -4.41 1.17 0.04 0.38 4.76 -0.07 -5.02 118.16 115.01 1uhu n LYS 98 Ca -0.26 -0.29 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1uhu n LYS 98 Cb 0.61 0.13 0.00 0.00 -1.84 0.00 0.00 35.03 33.94 1uhu n LYS 98 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1uhu n SER 99 N -1.76 -0.67 -2.49 4.39 7.64 -1.26 -4.15 113.62 115.32 1uhu n SER 99 Ca -0.01 0.16 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1uhu n SER 99 Cb 0.05 0.96 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 1uhu n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhu n GLY 100 N -1.40 -4.51 0.08 0.23 0.00 -1.26 -4.97 105.19 93.36 1uhu n GLY 100 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 1uhu n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhu h PRO 101 N 3.02 0.07 0.00 1.61 0.13 -2.00 -3.45 132.00 131.37 1uhu h PRO 101 Ca -0.22 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1uhu h PRO 101 Cb 0.50 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1uhu h PRO 101 CO 0.05 0.80 -0.15 0.45 -0.23 0.00 0.00 178.00 178.92 1uhu n SER 102 N -4.66 0.54 -4.16 1.44 2.88 -1.26 -5.12 113.62 103.29 1uhu n SER 102 Ca -0.09 0.20 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 1uhu n SER 102 Cb 0.41 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 1uhu n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhu s SER 103 N -5.53 0.92 0.00 -3.46 0.01 -1.26 -5.27 113.70 99.11 1uhu s SER 103 Ca 0.00 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1uhu s SER 103 Cb 0.00 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1uhu s SER 103 CO 0.00 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.72