#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 4.09 0.56 1.61 0.01 -1.26 -5.14 113.70 113.56 1uhu s SER 1 Ca 0.00 -1.31 -0.05 0.00 1.31 0.00 0.00 55.95 55.90 1uhu s SER 1 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1uhu s SER 1 CO 0.00 -0.53 0.85 -0.94 0.41 0.00 0.00 173.24 173.03 1uhu s SER 2 N -3.80 5.68 0.60 2.44 1.04 -1.26 -4.94 113.70 113.46 1uhu s SER 2 Ca 0.34 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1uhu s SER 2 Cb 0.07 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1uhu s SER 2 CO 0.18 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1uhu n GLY 3 N -2.48 -3.16 0.76 7.32 0.00 -1.26 -4.97 105.19 101.40 1uhu n GLY 3 Ca 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 1uhu n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhu n SER 4 N -4.30 1.15 -3.25 1.61 7.64 -1.26 -5.08 113.62 110.13 1uhu n SER 4 Ca -0.09 0.16 -0.19 0.00 1.01 0.00 0.00 58.87 59.76 1uhu n SER 4 Cb 0.65 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1uhu n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uhu n SER 5 N -3.58 -6.41 0.00 6.43 7.64 -1.26 -4.84 113.62 111.60 1uhu n SER 5 Ca -0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1uhu n SER 5 Cb 0.13 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 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 0.35 1.72 3.93 0.23 0.00 -1.26 -5.11 105.19 105.04 1uhu n GLY 6 Ca -0.02 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 4.43 0.02 2.61 -4.23 -1.26 -5.03 115.64 112.17 1uhu s THR 7 Ca 0.00 -1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 59.18 1uhu s THR 7 Cb 0.00 -3.51 -0.22 0.00 1.34 0.00 0.00 72.50 70.11 1uhu s THR 7 CO 0.00 -0.25 1.14 1.55 -0.54 0.00 0.00 174.62 176.52 1uhu h PRO 8 N 1.16 0.43 -0.58 3.99 0.13 -1.84 -1.69 132.00 133.61 1uhu h PRO 8 Ca -0.48 -0.42 0.01 0.00 -0.87 0.00 0.00 66.00 64.24 1uhu h PRO 8 Cb 1.24 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1uhu h PRO 8 CO 0.58 1.07 0.38 1.25 -0.23 0.00 0.00 178.00 181.05 1uhu h LEU 9 N -0.05 0.65 -0.21 1.56 5.85 -1.85 0.56 115.31 121.82 1uhu h LEU 9 Ca -0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1uhu h LEU 9 Cb 1.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1uhu h LEU 9 CO 0.11 0.47 0.08 -1.28 -0.34 0.00 0.00 178.44 177.48 1uhu h SER 10 N 0.77 0.29 0.04 1.25 0.87 -1.83 0.12 113.55 115.06 1uhu h SER 10 Ca 0.21 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1uhu h SER 10 Cb -0.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1uhu h SER 10 CO -0.05 0.37 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.53 1uhu h LEU 11 N 0.19 -0.04 -0.12 2.23 3.38 -0.86 0.71 115.31 120.79 1uhu h LEU 11 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1uhu h LEU 11 Cb 0.17 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1uhu h LEU 11 CO -0.01 -0.03 -0.15 0.71 0.09 0.00 0.00 178.44 179.05 1uhu h THR 12 N -0.05 0.60 -0.69 0.22 1.35 0.26 -0.52 112.91 114.07 1uhu h THR 12 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1uhu h THR 12 Cb 0.04 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.02 1uhu h THR 12 CO 0.01 0.00 0.40 -0.07 -0.25 0.00 0.00 175.52 175.60 1uhu h LEU 13 N -0.19 0.85 -2.39 3.87 3.38 -0.52 0.11 115.31 120.41 1uhu h LEU 13 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uhu h LEU 13 Cb 0.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1uhu h LEU 13 CO -0.23 0.68 0.07 0.44 0.09 0.00 0.00 178.44 179.48 1uhu h ASP 14 N 0.94 0.00 -0.28 -0.43 5.19 0.14 0.12 116.42 122.11 1uhu h ASP 14 Ca 0.25 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.43 1uhu h ASP 14 Cb 0.01 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 39.28 1uhu h ASP 14 CO -0.04 0.00 -0.75 1.41 -3.12 0.00 0.00 179.24 176.73 1uhu n HIS 15 N -2.82 0.99 -0.34 4.55 8.25 0.18 -4.80 115.22 121.22 1uhu n HIS 15 Ca -0.02 -1.64 0.23 0.00 -0.26 0.00 0.00 57.72 56.02 1uhu n HIS 15 Cb 0.12 -0.26 0.48 0.00 1.12 0.00 0.00 29.99 31.45 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 1.54 0.78 -0.63 4.41 -0.00 0.12 0.81 115.95 122.98 1uhu h TRP 16 Ca 0.06 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 59.08 1uhu h TRP 16 Cb 1.34 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.16 30.20 1uhu h TRP 16 CO 0.67 0.02 0.25 0.77 -0.00 0.00 0.00 178.44 180.14 1uhu h SER 17 N 0.42 0.26 -0.16 2.65 0.02 -1.85 0.90 113.55 115.79 1uhu h SER 17 Ca 0.64 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.64 1uhu h SER 17 Cb 1.53 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 1uhu h SER 17 CO -0.39 0.15 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.35 1uhu h GLU 18 N 0.44 0.29 -0.56 3.45 4.57 0.25 -0.18 114.58 122.83 1uhu h GLU 18 Ca 0.32 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1uhu h GLU 18 Cb 0.40 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1uhu h GLU 18 CO -0.31 0.54 0.37 0.82 -1.18 0.00 0.00 179.01 179.25 1uhu h ILE 19 N 0.02 1.14 -0.06 2.32 1.08 -0.34 -0.21 117.51 121.45 1uhu h ILE 19 Ca 0.04 -0.26 -0.13 0.00 -0.39 0.00 0.00 64.86 64.12 1uhu h ILE 19 Cb 0.42 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1uhu h ILE 19 CO 0.01 0.14 -0.57 0.03 -0.69 0.00 0.00 178.15 177.07 1uhu h ARG 20 N 0.76 0.19 -0.12 2.37 3.08 0.11 -2.78 114.38 117.99 1uhu h ARG 20 Ca 0.21 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1uhu h ARG 20 Cb -0.08 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1uhu h ARG 20 CO -0.05 0.71 -0.03 0.77 -1.07 0.00 0.00 179.97 180.30 1uhu h SER 21 N 0.15 0.24 -1.00 7.04 0.02 0.63 -1.92 113.55 118.71 1uhu h SER 21 Ca -0.00 -0.37 0.10 0.00 -0.84 0.00 0.00 61.79 60.67 1uhu h SER 21 Cb 1.04 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 1uhu h SER 21 CO 0.09 0.56 0.63 0.03 -1.14 0.00 0.00 176.83 177.00 1uhu h ARG 22 N -0.08 1.03 -0.45 3.45 2.47 -1.12 0.15 114.38 119.83 1uhu h ARG 22 Ca 0.03 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 1uhu h ARG 22 Cb 0.45 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1uhu h ARG 22 CO 0.01 0.68 -0.01 0.00 0.56 0.00 0.00 179.97 181.21 1uhu h ALA 23 N 1.50 1.14 -0.26 0.04 0.00 -1.34 0.36 119.26 120.70 1uhu h ALA 23 Ca 0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1uhu h ALA 23 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uhu h ALA 23 CO -0.23 0.55 0.00 1.25 0.00 0.00 0.00 179.25 180.83 1uhu h HIS 24 N 0.70 0.50 0.00 0.00 6.17 -0.03 1.58 115.15 124.06 1uhu h HIS 24 Ca 0.14 -0.09 -0.07 0.00 0.71 0.00 0.00 60.37 61.07 1uhu h HIS 24 Cb 0.45 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 1uhu h HIS 24 CO 0.02 0.61 -0.31 -0.97 0.71 0.00 0.00 177.93 177.99 1uhu h ASN 25 N 0.24 0.00 0.81 3.26 -0.73 -0.51 -1.70 115.58 116.95 1uhu h ASN 25 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1uhu h ASN 25 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1uhu h ASN 25 CO 0.01 0.31 -0.51 0.18 -0.37 0.00 0.00 177.43 177.06 1uhu n LEU 26 N -3.67 0.60 -1.99 0.34 4.77 0.12 -4.95 117.00 112.22 1uhu n LEU 26 Ca -0.01 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1uhu n LEU 26 Cb 0.42 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1uhu n LEU 26 CO 0.36 -0.01 0.07 -1.20 -1.33 0.00 0.00 177.39 175.27 1uhu n SER 27 N -1.91 -2.65 -4.02 -1.43 7.64 0.29 -5.03 113.62 106.51 1uhu n SER 27 Ca 0.04 -0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 1uhu n SER 27 Cb 0.40 -2.50 -0.11 0.00 -1.01 0.00 0.00 64.21 60.99 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 -3.15 0.23 -0.07 0.44 -7.23 0.46 -5.00 120.40 106.09 1uhu s VAL 28 Ca 0.09 -1.14 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1uhu s VAL 28 Cb -0.04 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1uhu s VAL 28 CO 0.32 -0.58 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.70 1uhu s GLU 29 N -2.01 2.75 0.05 4.82 2.12 -1.26 -3.88 118.70 121.30 1uhu s GLU 29 Ca -0.10 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.54 1uhu s GLU 29 Cb -0.06 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 1uhu s GLU 29 CO -0.02 0.54 0.03 0.96 -0.54 0.00 0.00 175.26 176.23 1uhu s ILE 30 N -0.51 0.18 0.37 -3.70 -4.36 -1.26 -4.90 121.20 107.02 1uhu s ILE 30 Ca 0.07 -1.50 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 1uhu s ILE 30 Cb -0.12 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1uhu s ILE 30 CO 0.02 -0.83 0.10 -0.54 0.24 0.00 0.00 174.94 173.93 1uhu s LYS 31 N -3.46 2.18 -0.08 0.37 1.02 -1.26 -5.05 119.74 113.46 1uhu s LYS 31 Ca 0.03 -1.77 -0.02 0.00 0.02 0.00 0.00 55.97 54.23 1uhu s LYS 31 Cb 0.04 -1.98 -0.26 0.00 -0.52 0.00 0.00 37.83 35.11 1uhu s LYS 31 CO -0.08 0.02 0.54 -0.22 -0.92 0.00 0.00 175.35 174.69 1uhu h LYS 32 N 1.61 0.21 -0.14 1.68 3.64 -2.01 -2.62 116.57 118.94 1uhu h LYS 32 Ca -0.43 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 58.63 1uhu h LYS 32 Cb 1.25 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1uhu h LYS 32 CO 0.68 1.03 -0.04 0.78 -2.27 0.00 0.00 179.45 179.63 1uhu h GLY 33 N 1.76 0.10 1.01 5.01 0.00 -1.99 -0.63 103.07 108.32 1uhu h GLY 33 Ca -0.36 0.05 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 1uhu h GLY 33 CO 0.10 -0.06 -0.76 -0.56 0.00 0.00 0.00 176.54 175.27 1uhu h PRO 34 N -0.01 0.60 -1.01 4.80 0.13 -1.98 -1.23 132.00 133.30 1uhu h PRO 34 Ca 0.07 -0.58 0.23 0.00 -0.87 0.00 0.00 66.00 64.85 1uhu h PRO 34 Cb 0.11 0.15 -0.11 0.00 0.13 0.00 0.00 31.00 31.28 1uhu h PRO 34 CO -0.15 1.20 0.61 2.35 -0.23 0.00 0.00 178.00 181.77 1uhu h TRP 35 N 0.21 0.98 0.01 1.56 2.91 -1.31 1.49 115.95 121.81 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 1.42 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 1uhu h TRP 35 CO 0.12 0.12 -0.09 -0.09 -1.03 0.00 0.00 178.44 177.47 1uhu h ARG 36 N 0.62 0.05 -0.50 2.65 2.43 -1.07 -2.99 114.38 115.57 1uhu h ARG 36 Ca 0.61 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.79 1uhu h ARG 36 Cb 1.15 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1uhu h ARG 36 CO -0.41 0.90 0.17 1.15 -1.51 0.00 0.00 179.97 180.26 1uhu h THR 37 N -0.76 0.83 -0.88 0.20 2.02 0.20 0.61 112.91 115.12 1uhu h THR 37 Ca -0.01 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.11 1uhu h THR 37 Cb 0.93 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1uhu h THR 37 CO 0.02 0.06 0.57 -0.26 0.37 0.00 0.00 175.52 176.29 1uhu h PHE 38 N 0.35 1.01 -0.52 3.16 0.04 0.19 0.40 116.94 121.56 1uhu h PHE 38 Ca 0.24 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1uhu h PHE 38 Cb 0.26 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1uhu h PHE 38 CO -0.16 0.52 0.00 0.00 -0.60 0.00 0.00 178.31 178.07 1uhu n ALA 40 N 1.00 0.32 -2.59 0.00 0.00 0.20 -4.50 120.51 114.94 1uhu n ALA 40 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 1uhu n ALA 40 Cb 0.48 0.01 0.06 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.77 -0.15 -0.02 0.00 2.88 -0.87 -4.76 113.62 106.92 1uhu n SER 41 Ca -0.05 -2.09 -0.05 0.00 -1.33 0.00 0.00 58.87 55.34 1uhu n SER 41 Cb 0.19 0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.75 0.12 -0.00 -1.46 4.07 -1.07 -4.31 120.64 117.23 1uhu n GLU 42 Ca -0.09 0.05 -0.17 0.00 -0.06 0.00 0.00 57.16 56.89 1uhu n GLU 42 Cb 0.86 -0.69 -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 -0.20 0.60 0.00 4.31 6.55 -0.60 -2.99 115.95 123.63 1uhu h TRP 43 Ca -0.12 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.40 1uhu h TRP 43 Cb 1.00 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 1uhu h TRP 43 CO -0.03 1.12 0.00 -0.35 -1.05 0.00 0.00 178.44 178.14 1uhu n PRO 44 N -4.24 0.75 -0.23 0.49 -0.04 -1.25 -2.09 135.00 128.38 1uhu n PRO 44 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 44 Cb 0.65 -1.42 0.17 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.92 1.50 0.72 0.52 -2.24 -1.13 -4.45 114.28 108.28 1uhu n THR 45 Ca 0.15 -1.39 0.10 0.00 -2.27 0.00 0.00 64.05 60.64 1uhu n THR 45 Cb 0.07 0.19 0.28 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.44 -3.89 4.78 3.01 -0.89 -4.92 117.46 115.88 1uhu n PHE 46 Ca 0.14 -0.22 -0.27 0.00 1.01 0.00 0.00 57.45 58.11 1uhu n PHE 46 Cb 0.57 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.06 1uhu n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1uhu n ASP 47 N 0.83 -2.39 -0.01 4.37 2.03 -1.26 -4.84 116.55 115.28 1uhu n ASP 47 Ca 0.17 -0.87 0.02 0.00 0.52 0.00 0.00 54.79 54.62 1uhu n ASP 47 Cb 0.43 -3.63 -0.04 0.00 -0.72 0.00 0.00 41.12 37.16 1uhu n ASP 47 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1uhu n VAL 48 N -4.45 0.06 0.00 5.18 3.14 -1.26 -5.00 118.33 116.00 1uhu n VAL 48 Ca -0.15 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1uhu n VAL 48 Cb 0.61 0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 1uhu n VAL 48 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uhu n GLY 49 N 2.32 1.10 3.71 7.55 0.00 -1.26 -5.01 105.19 113.60 1uhu n GLY 49 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.06 0.83 1.61 -0.11 -1.26 -4.99 118.94 116.07 1uhu s TRP 50 Ca 0.00 0.79 -0.12 0.00 1.22 0.00 0.00 56.10 58.00 1uhu s TRP 50 Cb 0.00 -3.76 0.09 0.00 -1.50 0.00 0.00 33.47 28.29 1uhu s TRP 50 CO 0.00 -2.78 1.11 -1.25 -4.62 0.00 0.00 176.95 169.41 1uhu s PRO 51 N 1.47 1.85 0.13 5.86 0.04 -1.26 -3.90 135.00 139.19 1uhu s PRO 51 Ca 0.67 0.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1uhu s PRO 51 Cb -0.38 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1uhu s PRO 51 CO 0.30 -1.76 1.31 -1.00 0.04 0.00 0.00 177.00 175.89 1uhu h PRO 52 N -1.19 0.51 -0.04 0.56 0.13 -1.86 -3.20 132.00 126.92 1uhu h PRO 52 Ca -0.48 -0.50 -0.16 0.00 -0.87 0.00 0.00 66.00 63.99 1uhu h PRO 52 Cb 1.28 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1uhu h PRO 52 CO 0.60 1.13 -0.69 0.93 -0.23 0.00 0.00 178.00 179.74 1uhu h GLU 53 N 0.31 0.18 0.00 0.86 3.07 -1.90 -3.40 114.58 113.71 1uhu h GLU 53 Ca -0.07 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1uhu h GLU 53 Cb 1.51 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1uhu h GLU 53 CO 0.16 0.80 0.00 0.41 -1.40 0.00 0.00 179.01 178.98 1uhu n GLY 54 N 0.46 2.36 3.55 -3.84 0.00 -1.21 -2.72 105.19 103.79 1uhu n GLY 54 Ca -0.02 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.92 0.00 -0.52 2.61 -1.32 -1.26 -4.69 115.64 108.53 1uhu s THR 55 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1uhu s THR 55 Cb 0.00 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.51 1uhu s THR 55 CO 0.00 0.00 1.83 0.49 -2.21 0.00 0.00 174.62 174.73 1uhu n PHE 56 N 1.21 2.88 -3.15 9.09 3.72 -1.26 -4.85 117.46 125.09 1uhu n PHE 56 Ca -0.17 -2.45 -0.43 0.00 -0.05 0.00 0.00 57.45 54.36 1uhu n PHE 56 Cb 0.57 -1.07 -0.07 0.00 -0.94 0.00 0.00 39.48 37.97 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 -1.99 6.30 0.31 4.37 -1.08 -1.26 -4.84 116.67 118.48 1uhu s ASP 57 Ca 0.59 -0.41 0.09 0.00 -0.52 0.00 0.00 52.55 52.29 1uhu s ASP 57 Cb 0.48 -2.30 0.85 0.00 -1.46 0.00 0.00 42.92 40.49 1uhu s ASP 57 CO 0.03 -0.74 1.74 0.25 0.52 0.00 0.00 175.17 176.96 1uhu h LEU 58 N 9.57 0.69 -0.15 -1.34 5.85 -1.96 0.94 115.31 128.91 1uhu h LEU 58 Ca -0.26 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1uhu h LEU 58 Cb 1.10 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1uhu h LEU 58 CO 0.87 0.13 -0.06 0.74 -0.34 0.00 0.00 178.44 179.79 1uhu h THR 59 N 0.61 0.80 -0.34 1.05 2.02 -1.98 1.49 112.91 116.55 1uhu h THR 59 Ca 0.63 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.65 1uhu h THR 59 Cb 1.16 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1uhu h THR 59 CO -0.46 0.00 -0.41 0.58 0.37 0.00 0.00 175.52 175.60 1uhu h VAL 60 N -0.03 1.28 0.32 3.16 2.07 -1.05 -2.03 116.25 119.96 1uhu h VAL 60 Ca 0.08 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1uhu h VAL 60 Cb 0.15 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1uhu h VAL 60 CO -0.17 0.52 -0.15 0.40 0.02 0.00 0.00 177.57 178.19 1uhu h ILE 61 N 0.69 0.71 -0.92 4.57 2.04 0.14 -1.56 117.51 123.18 1uhu h ILE 61 Ca 0.05 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.89 1uhu h ILE 61 Cb 0.99 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1uhu h ILE 61 CO 0.10 0.03 0.54 -0.26 0.00 0.00 0.00 178.15 178.56 1uhu h PHE 62 N -0.50 0.97 0.19 1.37 -1.00 0.21 1.55 116.94 119.73 1uhu h PHE 62 Ca -0.04 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1uhu h PHE 62 Cb 0.38 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1uhu h PHE 62 CO -0.03 0.33 -0.15 0.93 -1.61 0.00 0.00 178.31 177.78 1uhu h GLU 63 N 0.83 -0.34 -0.21 1.51 4.39 -1.03 0.81 114.58 120.54 1uhu h GLU 63 Ca 0.47 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 60.07 1uhu h GLU 63 Cb 0.55 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1uhu h GLU 63 CO -0.30 -0.22 -0.42 0.28 -1.16 0.00 0.00 179.01 177.19 1uhu h VAL 64 N -0.35 1.31 -0.31 3.13 2.07 -0.40 -2.50 116.25 119.21 1uhu h VAL 64 Ca -0.01 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1uhu h VAL 64 Cb 0.31 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1uhu h VAL 64 CO -0.02 0.50 0.16 0.50 0.02 0.00 0.00 177.57 178.73 1uhu h LYS 65 N 0.41 0.43 0.00 1.57 3.64 0.27 0.06 116.57 122.95 1uhu h LYS 65 Ca 0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1uhu h LYS 65 Cb 0.91 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1uhu h LYS 65 CO 0.08 0.39 -0.05 0.00 -2.27 0.00 0.00 179.45 177.60 1uhu h ALA 66 N 1.02 1.35 0.03 5.00 0.00 0.78 1.27 119.26 128.72 1uhu h ALA 66 Ca 0.11 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1uhu h ALA 66 Cb 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1uhu h ALA 66 CO -0.02 0.06 -1.09 0.82 0.00 0.00 0.00 179.25 179.03 1uhu h ILE 67 N 0.00 1.30 0.00 0.00 2.04 -0.72 -2.43 117.51 117.70 1uhu h ILE 67 Ca -0.00 -2.34 -0.15 0.00 1.00 0.00 0.00 64.86 63.37 1uhu h ILE 67 Cb 0.15 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1uhu h ILE 67 CO 0.01 0.72 -0.80 -0.37 0.00 0.00 0.00 178.15 177.70 1uhu h VAL 68 N 0.34 1.10 -0.96 1.67 -1.51 0.36 -3.19 116.25 114.05 1uhu h VAL 68 Ca -0.14 -2.61 -0.55 0.00 -1.23 0.00 0.00 66.70 62.17 1uhu h VAL 68 Cb 1.74 2.52 -0.30 0.00 -2.13 0.00 0.00 31.29 33.13 1uhu h VAL 68 CO 0.21 0.63 0.66 0.49 -1.23 0.00 0.00 177.57 178.33 1uhu n PHE 69 N -3.22 3.02 -0.67 5.19 3.01 0.42 0.19 117.46 125.40 1uhu n PHE 69 Ca -0.01 -2.19 -0.31 0.00 1.01 0.00 0.00 57.45 55.96 1uhu n PHE 69 Cb 0.82 -1.07 0.28 0.00 -0.01 0.00 0.00 39.48 39.50 1uhu n PHE 69 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1uhu n GLN 70 N -1.08 -4.02 -0.25 -1.08 6.02 -0.92 -4.87 117.38 111.18 1uhu n GLN 70 Ca 0.59 -1.63 0.09 0.00 -0.01 0.00 0.00 57.00 56.03 1uhu n GLN 70 Cb 1.34 -1.79 0.18 0.00 1.02 0.00 0.00 30.24 30.99 1uhu n GLN 70 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1uhu n ASP 71 N -5.37 2.68 0.00 1.08 2.03 -1.26 -4.66 116.55 111.05 1uhu n ASP 71 Ca 0.15 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1uhu n ASP 71 Cb 0.60 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1uhu n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uhu n GLY 72 N -1.16 5.22 0.00 0.27 0.00 -1.26 -5.01 105.19 103.25 1uhu n GLY 72 Ca 0.19 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 0.13 1.61 -0.04 -1.26 -2.87 135.00 133.05 1uhu n PRO 73 Ca 0.00 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 1uhu n PRO 73 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.75 0.49 -2.37 0.55 0.00 -1.95 -3.46 103.07 100.08 1uhu h GLY 74 Ca 0.00 -1.25 -0.54 0.00 0.00 0.00 0.00 47.33 45.54 1uhu h GLY 74 CO 0.00 1.10 -1.05 -1.14 0.00 0.00 0.00 176.54 175.45 1uhu n SER 75 N -3.63 -3.52 -3.74 0.19 3.41 -1.14 -4.71 113.62 100.47 1uhu n SER 75 Ca -0.14 0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1uhu n SER 75 Cb 1.07 -1.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.23 1.57 -1.48 7.33 0.09 0.50 -4.89 115.29 116.18 1uhu s HIS 76 Ca 0.51 -1.53 0.23 0.00 -0.00 0.00 0.00 55.06 54.26 1uhu s HIS 76 Cb -0.21 -1.54 1.17 0.00 -0.00 0.00 0.00 32.58 32.00 1uhu s HIS 76 CO 0.73 -0.82 1.75 -0.35 -0.00 0.00 0.00 174.74 176.05 1uhu n PRO 77 N 4.89 0.36 -0.01 8.40 -0.04 -1.26 -0.37 135.00 146.96 1uhu n PRO 77 Ca -0.04 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 1uhu n PRO 77 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.34 0.98 3.54 3.58 -1.93 -3.37 116.42 119.57 1uhu h ASP 78 Ca 0.00 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.59 1uhu h ASP 78 Cb 0.20 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1uhu h ASP 78 CO 0.00 1.77 -0.69 1.56 -2.88 0.00 0.00 179.24 178.99 1uhu h GLN 79 N -0.17 0.00 -0.59 0.28 4.20 -1.90 -3.36 115.11 113.57 1uhu h GLN 79 Ca -0.40 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.44 1uhu h GLN 79 Cb 1.87 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.54 1uhu h GLN 79 CO 0.03 0.00 -0.09 1.96 -0.67 0.00 0.00 178.83 180.06 1uhu h GLN 80 N 0.00 0.04 0.00 1.46 4.20 -0.86 1.61 115.11 121.55 1uhu h GLN 80 Ca 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1uhu h GLN 80 Cb 0.84 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 1uhu h GLN 80 CO 0.00 0.02 -0.16 -1.00 -0.67 0.00 0.00 178.83 177.03 1uhu h PRO 81 N 0.04 0.00 0.00 1.46 0.13 -1.77 -1.64 132.00 130.22 1uhu h PRO 81 Ca 0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.42 1uhu h PRO 81 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1uhu h PRO 81 CO -0.58 0.16 -0.03 1.88 -0.23 0.00 0.00 178.00 179.21 1uhu h TYR 82 N 0.00 0.02 -0.53 1.56 -1.99 -0.44 -3.25 116.97 112.34 1uhu h TYR 82 Ca -0.00 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 1uhu h TYR 82 Cb 0.87 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1uhu h TYR 82 CO 0.00 0.93 -0.00 0.97 -0.00 0.00 0.00 178.16 180.06 1uhu h ILE 83 N -0.89 1.25 -0.64 -2.88 6.09 0.20 -2.79 117.51 117.85 1uhu h ILE 83 Ca -0.00 -1.07 0.13 0.00 -1.37 0.00 0.00 64.86 62.54 1uhu h ILE 83 Cb 0.94 0.84 -0.12 0.00 0.47 0.00 0.00 36.82 38.95 1uhu h ILE 83 CO 0.00 0.38 -0.15 0.74 -3.07 0.00 0.00 178.15 176.06 1uhu h THR 84 N 0.84 0.36 -0.63 2.19 2.02 -1.39 0.38 112.91 116.68 1uhu h THR 84 Ca 0.16 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1uhu h THR 84 Cb 0.50 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1uhu h THR 84 CO 0.02 0.00 0.28 0.58 0.37 0.00 0.00 175.52 176.77 1uhu h VAL 85 N 0.01 1.23 -0.59 3.16 2.07 -1.54 -0.09 116.25 120.49 1uhu h VAL 85 Ca 0.31 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1uhu h VAL 85 Cb 0.48 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1uhu h VAL 85 CO -0.66 0.27 0.21 -0.50 0.02 0.00 0.00 177.57 176.91 1uhu h TRP 86 N 0.87 0.36 -0.15 1.57 4.06 -0.21 0.98 115.95 123.44 1uhu h TRP 86 Ca 0.21 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 1uhu h TRP 86 Cb 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1uhu h TRP 86 CO 0.01 0.09 0.07 0.37 -3.56 0.00 0.00 178.44 175.41 1uhu h GLN 87 N 0.38 0.22 -0.89 0.49 -0.00 0.20 -2.06 115.11 113.45 1uhu h GLN 87 Ca 0.30 -0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.93 1uhu h GLN 87 Cb 0.36 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.76 1uhu h GLN 87 CO -0.30 0.28 0.59 0.22 0.00 0.00 0.00 178.83 179.61 1uhu h ASP 88 N 0.11 1.01 -0.06 -0.69 1.82 0.19 -1.77 116.42 117.03 1uhu h ASP 88 Ca 0.05 -0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1uhu h ASP 88 Cb 0.13 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.86 1uhu h ASP 88 CO -0.01 0.72 -0.17 -0.07 -1.61 0.00 0.00 179.24 178.10 1uhu h LEU 89 N 1.18 -0.52 0.13 2.28 3.38 0.14 0.26 115.31 122.17 1uhu h LEU 89 Ca 0.33 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.41 1uhu h LEU 89 Cb -0.10 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1uhu h LEU 89 CO -0.08 -0.23 -0.35 0.58 0.09 0.00 0.00 178.44 178.44 1uhu h VAL 90 N -0.26 0.26 -0.06 1.22 2.07 -0.75 -1.25 116.25 117.48 1uhu h VAL 90 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1uhu h VAL 90 Cb 0.36 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1uhu h VAL 90 CO -0.21 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 178.85 1uhu h GLN 91 N -0.59 -0.07 -2.90 1.57 4.20 -0.88 -2.38 115.11 114.06 1uhu h GLN 91 Ca 0.03 0.00 -0.76 0.00 0.06 0.00 0.00 58.65 57.98 1uhu h GLN 91 Cb 0.62 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.26 1uhu h GLN 91 CO -0.20 -0.04 2.07 0.09 -0.67 0.00 0.00 178.83 180.08 1uhu n ASN 92 N -3.13 6.90 -4.53 1.46 3.02 0.04 -4.97 115.26 114.04 1uhu n ASN 92 Ca -0.01 -3.19 -0.54 0.00 -0.03 0.00 0.00 54.58 50.81 1uhu n ASN 92 Cb 0.06 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.77 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 2.27 2.18 -4.80 6.41 3.41 -0.48 -4.78 113.62 117.83 1uhu n SER 93 Ca 0.51 0.70 -0.30 0.00 -0.26 0.00 0.00 58.87 59.53 1uhu n SER 93 Cb 0.29 -1.19 0.10 0.00 -0.26 0.00 0.00 64.21 63.15 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 5.16 1.80 0.39 4.33 0.04 -1.26 -4.77 135.00 140.68 1uhu s PRO 94 Ca 1.06 0.53 0.21 0.00 0.04 0.00 0.00 61.00 62.84 1uhu s PRO 94 Cb -0.98 -1.89 0.60 0.00 0.04 0.00 0.00 34.50 32.26 1uhu s PRO 94 CO 0.57 -1.79 1.69 -1.00 0.04 0.00 0.00 177.00 176.50 1uhu h PRO 95 N -1.21 0.00 -0.00 0.56 0.13 -1.92 0.25 132.00 129.82 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 0.29 -0.00 -2.67 -0.23 0.00 0.00 178.00 175.99 1uhu n TRP 96 N -3.30 0.00 -0.01 1.56 4.27 -1.26 -4.15 117.44 114.55 1uhu n TRP 96 Ca 0.01 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.61 1uhu n TRP 96 Cb 0.53 -0.41 -0.00 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 -1.41 0.30 -3.85 -1.67 5.41 -0.90 -4.99 119.36 112.26 1uhu n ILE 97 Ca 0.10 0.28 -0.21 0.00 1.00 0.00 0.00 62.75 63.93 1uhu n ILE 97 Cb 0.30 -1.45 -0.17 0.00 -0.71 0.00 0.00 39.64 37.60 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 -1.34 0.48 0.34 0.38 -0.14 0.84 -5.01 119.74 115.29 1uhu s LYS 98 Ca -0.04 0.11 0.07 0.00 -1.36 0.00 0.00 55.97 54.75 1uhu s LYS 98 Cb 0.01 -0.78 -0.02 0.00 -1.68 0.00 0.00 37.83 35.35 1uhu s LYS 98 CO 0.05 -0.24 0.34 -1.12 -0.76 0.00 0.00 175.35 173.63 1uhu s SER 99 N 1.64 5.46 -0.72 2.83 0.01 -1.26 -4.16 113.70 117.50 1uhu s SER 99 Ca -0.01 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 1uhu s SER 99 Cb -0.13 -1.03 0.01 0.00 0.21 0.00 0.00 66.02 65.07 1uhu s SER 99 CO -0.03 -0.38 0.66 0.61 0.41 0.00 0.00 173.24 174.51 1uhu n GLY 100 N -1.45 -1.19 3.52 3.44 0.00 -1.26 -4.79 105.19 103.46 1uhu n GLY 100 Ca -0.01 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.83 2.40 -3.01 1.61 -0.04 -1.26 -4.94 135.00 127.93 1uhu n PRO 101 Ca -0.10 -2.83 -0.32 0.00 -0.04 0.00 0.00 63.50 60.21 1uhu n PRO 101 Cb 0.57 -3.57 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 1uhu n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1uhu s SER 102 N 5.21 6.74 0.53 3.54 1.04 -1.26 -4.87 113.70 124.63 1uhu s SER 102 Ca 0.60 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1uhu s SER 102 Cb 0.03 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1uhu s SER 102 CO 0.10 -0.28 0.00 -0.24 0.98 0.00 0.00 173.24 173.80 1uhu n SER 103 N -0.64 -8.26 0.00 7.02 2.88 -1.26 -5.25 113.62 108.11 1uhu n SER 103 Ca 0.04 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 1uhu n SER 103 Cb 0.53 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 1uhu n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42