#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 1.35 -0.01 1.61 7.64 -1.26 -4.97 113.62 117.98 1uhu n SER 1 Ca 0.00 0.21 -0.05 0.00 1.01 0.00 0.00 58.87 60.04 1uhu n SER 1 Cb 0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1uhu n SER 1 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhu n SER 2 N -3.83 1.44 0.00 6.43 2.88 -1.26 -5.03 113.62 114.25 1uhu n SER 2 Ca -0.08 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1uhu n SER 2 Cb 0.28 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1uhu n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhu n GLY 3 N 2.58 1.93 1.11 0.46 0.00 -1.26 -4.96 105.19 105.04 1uhu n GLY 3 Ca -0.07 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1uhu n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhu n SER 4 N 5.14 -6.41 0.28 1.61 2.88 -1.26 -4.68 113.62 111.19 1uhu n SER 4 Ca 0.00 0.92 -0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1uhu n SER 4 Cb 0.00 -3.67 -0.06 0.00 -0.75 0.00 0.00 64.21 59.73 1uhu n SER 4 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1uhu h SER 5 N -1.07 -0.64 -1.60 -3.46 0.02 -2.07 -3.44 113.55 101.29 1uhu h SER 5 Ca -0.10 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.15 1uhu h SER 5 Cb 1.05 0.17 0.04 0.00 0.14 0.00 0.00 62.40 63.80 1uhu h SER 5 CO 0.05 -0.24 0.59 0.61 -1.14 0.00 0.00 176.83 176.69 1uhu n GLY 6 N -0.22 0.57 3.96 -3.77 0.00 -1.26 -4.96 105.19 99.51 1uhu n GLY 6 Ca -0.10 0.78 -0.21 0.00 0.00 0.00 0.00 46.02 46.50 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 1.49 5.05 -0.06 2.61 -4.23 -1.26 -5.02 115.64 114.22 1uhu s THR 7 Ca 0.89 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.12 1uhu s THR 7 Cb -1.01 -3.77 -0.23 0.00 1.34 0.00 0.00 72.50 68.84 1uhu s THR 7 CO 0.54 -0.31 1.05 1.55 -0.54 0.00 0.00 174.62 176.90 1uhu h PRO 8 N 1.17 0.11 -0.48 3.99 0.13 -1.82 -0.95 132.00 134.16 1uhu h PRO 8 Ca -0.51 -0.11 0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1uhu h PRO 8 Cb 1.23 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1uhu h PRO 8 CO 0.60 0.83 0.01 1.25 -0.23 0.00 0.00 178.00 180.46 1uhu h LEU 9 N -0.57 -0.18 -0.51 1.56 6.46 -1.65 0.68 115.31 121.10 1uhu h LEU 9 Ca -0.01 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1uhu h LEU 9 Cb 0.87 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 1uhu h LEU 9 CO 0.03 -0.06 0.03 -1.28 -0.62 0.00 0.00 178.44 176.54 1uhu h SER 10 N 0.13 0.86 -0.27 1.25 0.87 -1.83 0.10 113.55 114.66 1uhu h SER 10 Ca 0.24 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1uhu h SER 10 Cb 0.35 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1uhu h SER 10 CO -0.39 0.94 0.10 -0.07 -0.53 0.00 0.00 176.83 176.88 1uhu h LEU 11 N 0.75 0.12 0.39 2.23 3.38 0.33 0.94 115.31 123.45 1uhu h LEU 11 Ca 0.15 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1uhu h LEU 11 Cb 0.48 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1uhu h LEU 11 CO 0.02 0.10 -0.19 0.71 0.09 0.00 0.00 178.44 179.18 1uhu h THR 12 N 0.23 0.62 -0.43 0.22 1.35 0.49 -2.24 112.91 113.14 1uhu h THR 12 Ca 0.12 -0.29 0.07 0.00 -0.55 0.00 0.00 66.41 65.76 1uhu h THR 12 Cb 0.08 0.76 -0.06 0.00 -1.73 0.00 0.00 68.15 67.20 1uhu h THR 12 CO -0.12 0.05 0.08 -0.07 -0.25 0.00 0.00 175.52 175.21 1uhu h LEU 13 N -0.69 -0.02 -2.02 3.87 -0.00 -0.58 0.48 115.31 116.36 1uhu h LEU 13 Ca -0.05 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 1uhu h LEU 13 Cb 0.49 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1uhu h LEU 13 CO 0.09 0.03 0.40 0.44 -0.00 0.00 0.00 178.44 179.39 1uhu h ASP 14 N 0.20 0.00 -1.35 -0.43 3.32 0.10 0.64 116.42 118.90 1uhu h ASP 14 Ca 0.21 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.71 1uhu h ASP 14 Cb 0.27 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.40 1uhu h ASP 14 CO -0.29 0.00 -0.80 1.41 -1.72 0.00 0.00 179.24 177.84 1uhu n HIS 15 N -3.69 3.03 -0.24 4.55 8.25 0.15 -4.81 115.22 122.46 1uhu n HIS 15 Ca 0.06 -2.96 0.12 0.00 -0.26 0.00 0.00 57.72 54.68 1uhu n HIS 15 Cb 0.56 -0.15 0.40 0.00 1.12 0.00 0.00 29.99 31.92 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 2.59 0.75 -0.40 4.41 -0.00 0.64 0.48 115.95 124.42 1uhu h TRP 16 Ca 0.25 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.23 1uhu h TRP 16 Cb 1.03 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 29.88 1uhu h TRP 16 CO 0.78 0.29 0.01 1.03 -0.00 0.00 0.00 178.44 180.54 1uhu h SER 17 N 0.65 -0.15 -0.58 2.65 0.87 -1.85 0.97 113.55 116.10 1uhu h SER 17 Ca 0.42 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1uhu h SER 17 Cb 0.71 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1uhu h SER 17 CO -0.18 -0.04 0.36 -0.08 -0.53 0.00 0.00 176.83 176.36 1uhu h GLU 18 N 0.11 0.79 -0.70 2.24 4.57 -1.27 0.57 114.58 120.89 1uhu h GLU 18 Ca 0.20 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1uhu h GLU 18 Cb 0.27 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1uhu h GLU 18 CO -0.32 0.56 0.17 0.82 -1.18 0.00 0.00 179.01 179.07 1uhu h ILE 19 N 0.79 1.26 0.00 2.32 1.08 -0.51 -0.39 117.51 122.06 1uhu h ILE 19 Ca 0.21 -0.96 -0.10 0.00 -0.39 0.00 0.00 64.86 63.63 1uhu h ILE 19 Cb -0.03 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 1uhu h ILE 19 CO -0.04 0.37 -0.46 0.03 -0.69 0.00 0.00 178.15 177.35 1uhu h ARG 20 N 1.05 0.00 -0.02 2.37 3.08 0.16 -2.85 114.38 118.17 1uhu h ARG 20 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1uhu h ARG 20 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1uhu h ARG 20 CO 0.00 0.46 -0.03 1.03 -1.07 0.00 0.00 179.97 180.36 1uhu h SER 21 N 0.00 0.06 -0.47 7.04 0.87 0.86 -3.01 113.55 118.90 1uhu h SER 21 Ca -0.00 -0.55 0.12 0.00 -1.23 0.00 0.00 61.79 60.13 1uhu h SER 21 Cb 0.92 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1uhu h SER 21 CO 0.06 0.60 0.33 0.03 -0.53 0.00 0.00 176.83 177.32 1uhu h ARG 22 N -0.47 0.07 -0.74 2.24 2.47 -1.05 0.17 114.38 117.08 1uhu h ARG 22 Ca 0.00 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1uhu h ARG 22 Cb 0.58 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1uhu h ARG 22 CO 0.01 0.05 0.25 0.00 0.56 0.00 0.00 179.97 180.83 1uhu h ALA 23 N 1.77 0.97 -0.51 0.04 0.00 -1.38 0.51 119.26 120.65 1uhu h ALA 23 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1uhu h ALA 23 Cb 0.79 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1uhu h ALA 23 CO -0.02 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.05 1uhu h HIS 24 N 1.09 1.05 0.00 0.00 2.76 -0.60 1.97 115.15 121.43 1uhu h HIS 24 Ca 0.24 -0.21 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1uhu h HIS 24 Cb 0.29 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1uhu h HIS 24 CO 0.02 0.99 -0.47 -0.97 -1.30 0.00 0.00 177.93 176.20 1uhu h ASN 25 N 0.81 0.00 0.27 3.26 -1.24 -0.89 -2.19 115.58 115.60 1uhu h ASN 25 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1uhu h ASN 25 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1uhu h ASN 25 CO 0.04 0.47 -0.54 0.18 -1.29 0.00 0.00 177.43 176.30 1uhu n LEU 26 N -3.88 0.92 -2.89 0.34 4.77 0.17 -4.97 117.00 111.47 1uhu n LEU 26 Ca -0.01 -0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1uhu n LEU 26 Cb 0.51 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1uhu n LEU 26 CO 0.40 0.20 0.06 -1.20 -1.33 0.00 0.00 177.39 175.52 1uhu n SER 27 N -1.10 -3.40 -3.90 -1.43 7.64 0.54 -5.02 113.62 106.96 1uhu n SER 27 Ca 0.07 -0.51 -0.10 0.00 1.01 0.00 0.00 58.87 59.34 1uhu n SER 27 Cb 0.35 -4.15 -0.10 0.00 -1.01 0.00 0.00 64.21 59.30 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 -3.29 0.11 -0.08 0.44 -7.23 0.53 -4.98 120.40 105.90 1uhu s VAL 28 Ca 0.14 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1uhu s VAL 28 Cb -0.02 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 1uhu s VAL 28 CO 0.57 -0.49 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.01 1uhu s GLU 29 N -1.98 2.80 0.11 4.82 2.12 -1.26 -3.98 118.70 121.32 1uhu s GLU 29 Ca -0.10 -0.74 -0.03 0.00 0.36 0.00 0.00 54.97 54.46 1uhu s GLU 29 Cb -0.05 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1uhu s GLU 29 CO -0.02 0.44 0.08 0.96 -0.54 0.00 0.00 175.26 176.19 1uhu s ILE 30 N -0.26 0.14 0.37 -3.70 -4.36 -1.26 -4.96 121.20 107.17 1uhu s ILE 30 Ca 0.01 -1.71 0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1uhu s ILE 30 Cb -0.13 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 1uhu s ILE 30 CO 0.03 -0.62 0.13 -0.54 0.24 0.00 0.00 174.94 174.18 1uhu s LYS 31 N -3.97 2.26 0.06 0.37 1.02 -1.26 -5.03 119.74 113.19 1uhu s LYS 31 Ca 0.16 -1.69 0.24 0.00 0.02 0.00 0.00 55.97 54.69 1uhu s LYS 31 Cb 0.07 -2.06 0.20 0.00 -0.52 0.00 0.00 37.83 35.52 1uhu s LYS 31 CO -0.04 0.03 1.17 1.17 -0.92 0.00 0.00 175.35 176.76 1uhu n LYS 32 N -1.15 0.23 -0.07 1.68 4.81 -1.26 -2.63 118.16 119.77 1uhu n LYS 32 Ca -0.02 0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1uhu n LYS 32 Cb 0.63 -1.60 -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 4.62 0.00 1.26 3.14 0.00 -2.00 -3.29 103.07 106.80 1uhu h GLY 33 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1uhu h GLY 33 CO 0.00 0.00 -0.94 -0.56 0.00 0.00 0.00 176.54 175.04 1uhu h PRO 34 N -1.00 0.69 -1.05 4.80 0.13 -2.00 -2.66 132.00 130.91 1uhu h PRO 34 Ca -0.03 -0.67 0.28 0.00 -0.87 0.00 0.00 66.00 64.71 1uhu h PRO 34 Cb 0.94 0.17 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1uhu h PRO 34 CO -0.02 1.27 0.66 2.35 -0.23 0.00 0.00 178.00 182.03 1uhu h TRP 35 N 0.42 0.73 0.00 1.56 2.91 -1.67 0.73 115.95 120.63 1uhu h TRP 35 Ca -0.10 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.87 1uhu h TRP 35 Cb 1.58 -0.21 0.01 0.00 -0.51 0.00 0.00 29.16 30.02 1uhu h TRP 35 CO 0.09 0.03 -0.32 -0.09 -1.03 0.00 0.00 178.44 177.12 1uhu h ARG 36 N 0.40 0.21 -0.12 2.65 9.65 -1.60 -2.90 114.38 122.67 1uhu h ARG 36 Ca 0.63 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 59.32 1uhu h ARG 36 Cb 1.54 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 30.14 1uhu h ARG 36 CO -0.36 0.96 -0.15 1.15 2.80 0.00 0.00 179.97 184.38 1uhu h THR 37 N -0.45 0.59 -0.32 0.20 2.02 -0.19 1.29 112.91 116.05 1uhu h THR 37 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1uhu h THR 37 Cb 1.08 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1uhu h THR 37 CO 0.06 0.00 0.23 -0.26 0.37 0.00 0.00 175.52 175.92 1uhu h PHE 38 N -0.19 0.12 -0.58 3.16 0.04 0.18 0.50 116.94 120.17 1uhu h PHE 38 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1uhu h PHE 38 Cb 0.32 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1uhu h PHE 38 CO -0.27 0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.51 1uhu n ALA 40 N 0.91 0.40 -2.70 0.00 0.00 0.43 -4.72 120.51 114.82 1uhu n ALA 40 Ca 0.24 -0.48 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 1uhu n ALA 40 Cb 0.83 0.01 0.06 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.48 0.42 -0.02 0.00 2.88 -0.89 -4.79 113.62 107.74 1uhu n SER 41 Ca -0.06 -2.08 -0.05 0.00 -1.33 0.00 0.00 58.87 55.35 1uhu n SER 41 Cb 0.23 -0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.10 0.02 -1.46 4.07 -1.21 -4.33 120.64 117.11 1uhu n GLU 42 Ca -0.03 0.04 -0.18 0.00 -0.06 0.00 0.00 57.16 56.93 1uhu n GLU 42 Cb 0.86 -0.70 -0.12 0.00 -0.06 0.00 0.00 31.44 31.42 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 0.60 0.00 4.31 6.55 -1.28 -3.09 115.95 122.88 1uhu h TRP 43 Ca -0.12 -0.36 0.00 0.00 0.95 0.00 0.00 58.89 59.36 1uhu h TRP 43 Cb 1.11 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 1uhu h TRP 43 CO -0.01 1.21 0.00 -0.35 -1.05 0.00 0.00 178.44 178.24 1uhu n PRO 44 N -4.18 0.75 -0.38 0.49 -0.04 -1.26 -2.20 135.00 128.19 1uhu n PRO 44 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1uhu n PRO 44 Cb 0.73 -1.42 0.23 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.94 0.46 0.52 -2.24 -1.17 -4.38 114.28 108.49 1uhu n THR 45 Ca 0.15 -1.64 0.11 0.00 -2.27 0.00 0.00 64.05 60.40 1uhu n THR 45 Cb 0.07 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.22 0.08 -2.07 4.78 3.01 -0.93 -4.97 117.46 117.14 1uhu n PHE 46 Ca 0.19 0.02 -0.02 0.00 1.01 0.00 0.00 57.45 58.65 1uhu n PHE 46 Cb 0.77 -0.32 -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 -1.95 -2.79 0.00 4.37 8.00 -1.26 -5.03 116.55 117.90 1uhu n ASP 47 Ca 0.00 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1uhu n ASP 47 Cb 0.46 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.41 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 0.64 0.00 -1.91 2.53 0.24 -1.26 -5.03 118.33 113.54 1uhu n VAL 48 Ca -0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.16 1uhu n VAL 48 Cb 0.19 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.01 -0.24 3.39 7.63 0.00 -1.26 -5.11 105.19 108.58 1uhu n GLY 49 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 0.01 3.21 0.95 1.61 -0.11 -1.26 -4.94 118.94 118.42 1uhu s TRP 50 Ca 0.01 -0.85 -0.14 0.00 1.22 0.00 0.00 56.10 56.34 1uhu s TRP 50 Cb 0.04 -2.38 0.16 0.00 -1.50 0.00 0.00 33.47 29.79 1uhu s TRP 50 CO -0.01 -0.58 1.16 -1.25 -4.62 0.00 0.00 176.95 171.65 1uhu s PRO 51 N 1.56 0.80 0.00 5.86 0.04 -1.26 -4.08 135.00 137.92 1uhu s PRO 51 Ca 0.03 0.16 0.24 0.00 0.04 0.00 0.00 61.00 61.47 1uhu s PRO 51 Cb -0.18 -1.81 1.42 0.00 0.04 0.00 0.00 34.50 33.97 1uhu s PRO 51 CO 0.06 -2.40 1.79 -0.35 0.04 0.00 0.00 177.00 176.14 1uhu n PRO 52 N -3.88 0.74 -0.00 0.56 -0.04 -1.26 -2.22 135.00 128.90 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 -1.50 -0.03 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 -1.01 4.35 0.00 0.54 -0.58 -1.26 -4.85 120.64 117.83 1uhu n GLU 53 Ca 0.18 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1uhu n GLU 53 Cb 0.08 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1uhu n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uhu n GLY 54 N 1.37 -0.32 3.58 0.62 0.00 -0.94 -1.70 105.19 107.80 1uhu n GLY 54 Ca 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.59 2.61 -1.32 -1.26 -4.58 115.64 109.11 1uhu s THR 55 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1uhu s THR 55 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 1uhu s THR 55 CO 0.00 0.00 2.19 0.49 -2.21 0.00 0.00 174.62 175.09 1uhu n PHE 56 N 1.73 2.43 -3.51 9.09 3.72 -1.26 -4.84 117.46 124.83 1uhu n PHE 56 Ca -0.16 -2.38 -0.42 0.00 -0.05 0.00 0.00 57.45 54.44 1uhu n PHE 56 Cb 0.56 -1.26 -0.08 0.00 -0.94 0.00 0.00 39.48 37.76 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 -0.72 5.82 0.58 4.37 2.15 -1.26 -4.76 116.67 122.85 1uhu s ASP 57 Ca 0.53 -1.73 0.31 0.00 0.43 0.00 0.00 52.55 52.09 1uhu s ASP 57 Cb 0.41 -2.06 1.41 0.00 -0.30 0.00 0.00 42.92 42.38 1uhu s ASP 57 CO -0.15 -0.68 1.76 0.25 -0.17 0.00 0.00 175.17 176.17 1uhu h LEU 58 N 8.55 0.00 0.34 -1.34 5.85 -1.94 0.35 115.31 127.12 1uhu h LEU 58 Ca -0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1uhu h LEU 58 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1uhu h LEU 58 CO 0.87 0.00 -0.16 0.74 -0.34 0.00 0.00 178.44 179.55 1uhu h THR 59 N 0.00 0.68 -0.32 1.05 2.02 -1.99 0.22 112.91 114.57 1uhu h THR 59 Ca 0.39 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 67.19 1uhu h THR 59 Cb 1.88 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1uhu h THR 59 CO -0.00 0.05 -0.38 1.62 0.37 0.00 0.00 175.52 177.18 1uhu h VAL 60 N -0.59 1.29 -0.39 3.16 3.04 -0.89 -3.01 116.25 118.86 1uhu h VAL 60 Ca -0.05 -1.56 0.07 0.00 -1.01 0.00 0.00 66.70 64.15 1uhu h VAL 60 Cb 0.43 1.54 -0.06 0.00 -2.01 0.00 0.00 31.29 31.19 1uhu h VAL 60 CO 0.08 0.51 0.02 0.40 -1.01 0.00 0.00 177.57 177.57 1uhu h ILE 61 N 0.59 0.73 -0.71 3.17 2.04 -0.42 0.11 117.51 123.01 1uhu h ILE 61 Ca 0.04 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1uhu h ILE 61 Cb 0.97 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1uhu h ILE 61 CO 0.09 0.02 0.48 -0.26 0.00 0.00 0.00 178.15 178.48 1uhu h PHE 62 N 0.13 0.45 0.12 1.37 -1.00 -0.49 1.10 116.94 118.62 1uhu h PHE 62 Ca 0.19 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1uhu h PHE 62 Cb 0.26 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1uhu h PHE 62 CO -0.24 0.18 -0.06 0.93 -1.61 0.00 0.00 178.31 177.51 1uhu h GLU 63 N 0.39 -0.16 -0.62 1.51 4.39 -0.72 0.74 114.58 120.11 1uhu h GLU 63 Ca 0.35 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.98 1uhu h GLU 63 Cb 0.80 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1uhu h GLU 63 CO -0.10 0.24 0.07 0.28 -1.16 0.00 0.00 179.01 178.34 1uhu h VAL 64 N -0.61 1.26 0.08 3.13 2.07 -0.30 -2.14 116.25 119.74 1uhu h VAL 64 Ca -0.02 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1uhu h VAL 64 Cb 0.48 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1uhu h VAL 64 CO 0.03 0.39 -0.04 0.50 0.02 0.00 0.00 177.57 178.47 1uhu h LYS 65 N 0.96 -0.10 -0.35 1.57 3.64 0.12 -1.33 116.57 121.09 1uhu h LYS 65 Ca 0.19 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 1uhu h LYS 65 Cb 0.46 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1uhu h LYS 65 CO 0.02 0.23 0.48 0.00 -2.27 0.00 0.00 179.45 177.91 1uhu h ALA 66 N 0.43 1.99 0.02 5.00 0.00 0.66 1.97 119.26 129.33 1uhu h ALA 66 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uhu h ALA 66 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1uhu h ALA 66 CO 0.02 -0.66 -0.01 0.82 0.00 0.00 0.00 179.25 179.42 1uhu h ILE 67 N 0.00 1.13 -0.33 0.00 2.04 -0.82 -2.68 117.51 116.84 1uhu h ILE 67 Ca 0.17 -1.75 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 1uhu h ILE 67 Cb 1.12 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 1uhu h ILE 67 CO -0.00 0.37 -0.10 -0.37 0.00 0.00 0.00 178.15 178.04 1uhu h VAL 68 N -0.97 1.23 -0.70 1.67 -1.51 0.24 -2.15 116.25 114.07 1uhu h VAL 68 Ca -0.00 -1.02 -0.38 0.00 -1.23 0.00 0.00 66.70 64.07 1uhu h VAL 68 Cb 0.63 1.09 -0.22 0.00 -2.13 0.00 0.00 31.29 30.67 1uhu h VAL 68 CO 0.01 0.34 0.48 0.49 -1.23 0.00 0.00 177.57 177.65 1uhu n PHE 69 N -4.20 2.17 -1.74 5.19 3.72 0.65 -0.32 117.46 122.93 1uhu n PHE 69 Ca 0.01 -1.55 -0.00 0.00 -0.05 0.00 0.00 57.45 55.86 1uhu n PHE 69 Cb 0.32 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 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 -0.61 0.36 -4.22 -1.08 10.64 -0.81 -4.86 117.38 116.80 1uhu n GLN 70 Ca 0.42 -0.02 -0.31 0.00 -1.83 0.00 0.00 57.00 55.26 1uhu n GLN 70 Cb 1.26 -0.01 -0.09 0.00 -0.86 0.00 0.00 30.24 30.54 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 -1.04 4.98 0.00 2.61 -1.08 -1.26 -4.65 116.67 116.23 1uhu s ASP 71 Ca 0.01 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1uhu s ASP 71 Cb -0.00 -1.21 0.00 0.00 -1.46 0.00 0.00 42.92 40.25 1uhu s ASP 71 CO 0.00 0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.53 1uhu n GLY 72 N 0.96 -3.78 0.00 2.66 0.00 -1.26 -4.47 105.19 99.29 1uhu n GLY 72 Ca -0.13 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.01 0.35 0.15 1.61 -0.04 -1.26 -2.66 135.00 133.14 1uhu n PRO 73 Ca 0.00 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1uhu n PRO 73 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.00 -1.51 0.55 0.00 -1.96 -3.45 103.07 100.44 1uhu h GLY 74 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1uhu h GLY 74 CO 0.00 0.00 0.33 -1.35 0.00 0.00 0.00 176.54 175.52 1uhu s SER 75 N -6.47 4.19 -0.40 0.19 1.04 -1.09 -4.87 113.70 106.29 1uhu s SER 75 Ca 0.02 2.09 0.03 0.00 0.48 0.00 0.00 55.95 58.57 1uhu s SER 75 Cb 0.09 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.77 1uhu s SER 75 CO 0.73 -2.25 0.15 -1.00 0.98 0.00 0.00 173.24 171.84 1uhu s HIS 76 N -2.47 3.06 -1.38 5.02 0.09 0.56 -4.93 115.29 115.24 1uhu s HIS 76 Ca 0.67 -2.81 0.23 0.00 -0.00 0.00 0.00 55.06 53.15 1uhu s HIS 76 Cb -0.22 -2.59 1.12 0.00 -0.00 0.00 0.00 32.58 30.89 1uhu s HIS 76 CO 0.50 -0.85 1.73 -0.35 -0.00 0.00 0.00 174.74 175.77 1uhu n PRO 77 N 3.89 0.29 0.07 8.40 -0.04 -1.26 -1.64 135.00 144.70 1uhu n PRO 77 Ca 0.04 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1uhu n PRO 77 Cb 0.38 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.50 0.96 3.54 5.19 -1.93 -3.32 116.42 121.36 1uhu h ASP 78 Ca 0.00 -0.73 0.00 0.00 -0.62 0.00 0.00 57.03 55.68 1uhu h ASP 78 Cb 0.23 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1uhu h ASP 78 CO 0.00 1.61 -0.64 1.56 -3.12 0.00 0.00 179.24 178.65 1uhu h GLN 79 N 0.09 0.00 -0.65 3.56 4.20 -1.90 -3.36 115.11 117.05 1uhu h GLN 79 Ca -0.30 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.55 1uhu h GLN 79 Cb 2.06 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.72 1uhu h GLN 79 CO 0.17 0.00 -0.06 1.96 -0.67 0.00 0.00 178.83 180.23 1uhu h GLN 80 N 0.00 0.06 0.00 1.46 4.20 -1.41 1.64 115.11 121.06 1uhu h GLN 80 Ca 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1uhu h GLN 80 Cb 0.80 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1uhu h GLN 80 CO 0.00 0.04 -0.08 -1.00 -0.67 0.00 0.00 178.83 177.13 1uhu h PRO 81 N 0.07 0.00 0.01 1.46 0.13 -1.76 -0.72 132.00 131.18 1uhu h PRO 81 Ca 0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1uhu h PRO 81 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1uhu h PRO 81 CO -0.61 0.08 -0.04 1.88 -0.23 0.00 0.00 178.00 179.07 1uhu h TYR 82 N 0.00 0.03 -0.17 1.56 -1.99 -0.10 -3.21 116.97 113.09 1uhu h TYR 82 Ca -0.00 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 1uhu h TYR 82 Cb 0.81 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1uhu h TYR 82 CO 0.00 1.02 -0.41 0.97 -0.00 0.00 0.00 178.16 179.74 1uhu h ILE 83 N -0.96 1.31 -0.70 -2.88 6.09 0.20 -2.93 117.51 117.64 1uhu h ILE 83 Ca -0.01 -1.55 0.11 0.00 -1.37 0.00 0.00 64.86 62.04 1uhu h ILE 83 Cb 1.03 1.62 -0.08 0.00 0.47 0.00 0.00 36.82 39.87 1uhu h ILE 83 CO 0.01 0.48 0.31 0.74 -3.07 0.00 0.00 178.15 176.61 1uhu h THR 84 N 0.33 0.77 -0.60 2.19 2.02 -1.23 0.17 112.91 116.56 1uhu h THR 84 Ca 0.03 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1uhu h THR 84 Cb 0.86 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1uhu h THR 84 CO 0.07 0.09 0.21 0.58 0.37 0.00 0.00 175.52 176.84 1uhu h VAL 85 N 0.51 1.22 -0.12 3.16 2.07 -1.51 -0.75 116.25 120.83 1uhu h VAL 85 Ca 0.36 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1uhu h VAL 85 Cb 0.44 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1uhu h VAL 85 CO -0.32 0.28 0.07 -0.50 0.02 0.00 0.00 177.57 177.13 1uhu h TRP 86 N 0.87 0.16 -0.47 1.57 4.06 -0.70 0.32 115.95 121.76 1uhu h TRP 86 Ca 0.20 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.18 1uhu h TRP 86 Cb 0.21 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 1uhu h TRP 86 CO 0.01 0.16 0.31 0.37 -3.56 0.00 0.00 178.44 175.74 1uhu h GLN 87 N 0.11 0.50 0.00 0.49 -0.00 -0.30 0.99 115.11 116.90 1uhu h GLN 87 Ca 0.04 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.52 1uhu h GLN 87 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 1uhu h GLN 87 CO -0.01 0.33 -0.67 0.22 0.00 0.00 0.00 178.83 178.71 1uhu h ASP 88 N 0.52 0.00 0.33 -0.69 1.82 -0.24 -2.17 116.42 115.99 1uhu h ASP 88 Ca 0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 1uhu h ASP 88 Cb 0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.13 1uhu h ASP 88 CO -0.05 0.67 -0.16 -0.07 -1.61 0.00 0.00 179.24 178.02 1uhu h LEU 89 N 0.00 -0.37 -0.55 2.28 3.38 0.21 0.26 115.31 120.51 1uhu h LEU 89 Ca -0.01 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1uhu h LEU 89 Cb 1.25 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 1uhu h LEU 89 CO 0.09 -0.04 0.29 -0.37 0.09 0.00 0.00 178.44 178.50 1uhu h VAL 90 N -0.74 0.97 0.18 1.22 -1.51 -1.27 -1.57 116.25 113.53 1uhu h VAL 90 Ca -0.05 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1uhu h VAL 90 Cb 0.50 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1uhu h VAL 90 CO 0.07 0.10 -0.15 1.56 -1.23 0.00 0.00 177.57 177.92 1uhu h GLN 91 N 0.56 -0.31 -2.77 5.19 1.08 -1.32 -3.09 115.11 114.46 1uhu h GLN 91 Ca 0.24 0.02 -0.76 0.00 -1.45 0.00 0.00 58.65 56.71 1uhu h GLN 91 Cb 0.14 0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.48 1uhu h GLN 91 CO -0.16 -0.21 2.06 0.09 -0.95 0.00 0.00 178.83 179.66 1uhu n ASN 92 N -3.21 7.26 -4.47 1.46 3.02 0.07 -4.98 115.26 114.41 1uhu n ASN 92 Ca -0.04 -3.23 -0.63 0.00 -0.03 0.00 0.00 54.58 50.66 1uhu n ASN 92 Cb 0.14 -1.35 -0.11 0.00 -0.61 0.00 0.00 39.78 37.85 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 1.90 1.05 -4.80 6.41 3.41 -0.60 -4.79 113.62 116.19 1uhu n SER 93 Ca 0.54 0.88 -0.30 0.00 -0.26 0.00 0.00 58.87 59.73 1uhu n SER 93 Cb 0.28 -0.92 0.09 0.00 -0.26 0.00 0.00 64.21 63.40 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 4.76 2.08 0.41 4.33 0.04 -1.26 -4.84 135.00 140.51 1uhu s PRO 94 Ca 1.13 0.64 0.22 0.00 0.04 0.00 0.00 61.00 63.03 1uhu s PRO 94 Cb -1.46 -1.92 0.64 0.00 0.04 0.00 0.00 34.50 31.80 1uhu s PRO 94 CO 0.71 -1.62 1.70 -1.00 0.04 0.00 0.00 177.00 176.83 1uhu h PRO 95 N -1.09 0.00 0.00 0.56 0.13 -1.90 0.02 132.00 129.72 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 0.24 -0.04 -2.67 -0.23 0.00 0.00 178.00 175.90 1uhu n TRP 96 N -3.27 0.03 -0.10 1.56 4.27 -1.26 -3.88 117.44 114.79 1uhu n TRP 96 Ca 0.01 0.01 -0.15 0.00 -3.89 0.00 0.00 57.50 53.48 1uhu n TRP 96 Cb 0.52 -0.50 -0.05 0.00 -1.36 0.00 0.00 31.31 29.92 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 -1.53 1.51 -3.29 -1.67 5.41 -0.91 -4.92 119.36 113.97 1uhu n ILE 97 Ca 0.07 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.42 1uhu n ILE 97 Cb 0.34 -2.21 -0.07 0.00 -0.71 0.00 0.00 39.64 36.99 1uhu n ILE 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1uhu s LYS 98 N -2.79 4.16 -0.21 0.38 0.00 -0.05 -4.93 119.74 116.29 1uhu s LYS 98 Ca -0.32 0.32 -0.05 0.00 0.00 0.00 0.00 55.97 55.92 1uhu s LYS 98 Cb 0.07 -3.57 -0.11 0.00 0.00 0.00 0.00 37.83 34.22 1uhu s LYS 98 CO 0.45 -0.16 -0.23 0.43 0.00 0.00 0.00 175.35 175.83 1uhu n SER 99 N 4.85 1.92 0.00 0.03 7.64 -1.26 -4.53 113.62 122.27 1uhu n SER 99 Ca -0.06 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1uhu n SER 99 Cb 0.50 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 2.04 0.47 3.77 0.23 0.00 -1.26 -5.10 105.19 105.33 1uhu n GLY 100 Ca -0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 0.40 -0.26 -0.07 1.61 0.04 -1.26 -5.09 135.00 130.36 1uhu s PRO 101 Ca 0.00 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 60.74 1uhu s PRO 101 Cb 0.00 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1uhu s PRO 101 CO 0.00 -3.04 0.19 -1.12 0.04 0.00 0.00 177.00 173.07 1uhu s SER 102 N -4.40 -0.19 -0.65 6.66 0.01 -1.26 -4.84 113.70 109.03 1uhu s SER 102 Ca 0.72 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 58.15 1uhu s SER 102 Cb -0.07 0.36 0.08 0.00 0.21 0.00 0.00 66.02 66.60 1uhu s SER 102 CO 0.54 -0.09 0.91 -0.44 0.41 0.00 0.00 173.24 174.57 1uhu s SER 103 N 0.42 6.18 0.00 2.44 0.01 -1.26 -5.23 113.70 116.25 1uhu s SER 103 Ca -0.03 -1.10 0.30 0.00 1.31 0.00 0.00 55.95 56.44 1uhu s SER 103 Cb -0.04 -2.39 1.58 0.00 0.21 0.00 0.00 66.02 65.38 1uhu s SER 103 CO -0.02 -1.37 2.05 0.61 0.41 0.00 0.00 173.24 174.92