#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 -1.71 -2.00 1.61 7.64 -1.26 -4.86 113.62 113.04 1uhu n SER 1 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1uhu n SER 1 Cb 0.00 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.04 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 1.69 -8.20 -1.31 6.43 2.88 -1.26 -5.09 113.62 108.77 1uhu n SER 2 Ca -0.36 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1uhu n SER 2 Cb 0.55 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 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 1.59 4.51 1.29 0.46 0.00 -1.26 -5.11 105.19 106.67 1uhu n GLY 3 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.62 0.77 -4.32 1.61 7.64 -1.26 -5.12 113.62 111.31 1uhu n SER 4 Ca 0.00 0.23 -0.17 0.00 1.01 0.00 0.00 58.87 59.94 1uhu n SER 4 Cb 0.00 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 1uhu n SER 4 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uhu s SER 5 N -5.72 1.68 0.10 6.43 0.15 -1.26 -5.07 113.70 110.00 1uhu s SER 5 Ca 0.00 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1uhu s SER 5 Cb 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1uhu s SER 5 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1uhu n GLY 6 N -0.41 -3.97 3.94 9.45 0.00 -1.26 -5.03 105.19 107.90 1uhu n GLY 6 Ca -0.04 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.86 5.22 -0.02 2.61 -4.23 -1.26 -5.03 115.64 112.06 1uhu s THR 7 Ca 0.00 -0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 1uhu s THR 7 Cb 0.00 -3.77 -0.22 0.00 1.34 0.00 0.00 72.50 69.85 1uhu s THR 7 CO 0.00 -0.23 1.09 1.55 -0.54 0.00 0.00 174.62 176.50 1uhu h PRO 8 N 1.77 0.27 -0.40 3.99 0.13 -1.84 -1.22 132.00 134.69 1uhu h PRO 8 Ca -0.49 -0.26 0.07 0.00 -0.87 0.00 0.00 66.00 64.46 1uhu h PRO 8 Cb 1.20 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1uhu h PRO 8 CO 0.66 0.95 0.00 1.25 -0.23 0.00 0.00 178.00 180.64 1uhu h LEU 9 N -0.32 -0.16 -0.29 1.56 6.46 -1.76 0.74 115.31 121.55 1uhu h LEU 9 Ca -0.04 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1uhu h LEU 9 Cb 1.05 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1uhu h LEU 9 CO 0.07 -0.04 0.07 -1.28 -0.62 0.00 0.00 178.44 176.64 1uhu h SER 10 N 0.11 0.44 -0.12 1.25 0.87 -1.83 0.18 113.55 114.45 1uhu h SER 10 Ca 0.20 -0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1uhu h SER 10 Cb 0.28 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1uhu h SER 10 CO -0.33 0.55 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.35 1uhu h LEU 11 N 0.30 -0.34 -1.49 2.23 3.38 -0.22 1.47 115.31 120.64 1uhu h LEU 11 Ca 0.09 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1uhu h LEU 11 Cb 0.29 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1uhu h LEU 11 CO 0.00 -0.14 -0.11 0.71 0.09 0.00 0.00 178.44 178.99 1uhu h THR 12 N -0.12 1.15 -0.10 0.22 1.35 0.59 -0.78 112.91 115.23 1uhu h THR 12 Ca 0.08 -0.67 -0.17 0.00 -0.55 0.00 0.00 66.41 65.11 1uhu h THR 12 Cb 0.24 1.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1uhu h THR 12 CO -0.20 0.21 -0.60 -0.07 -0.25 0.00 0.00 175.52 174.61 1uhu h LEU 13 N 0.19 0.69 -1.34 3.87 4.07 0.94 -1.02 115.31 122.71 1uhu h LEU 13 Ca 0.04 -0.66 -0.00 0.00 0.08 0.00 0.00 57.88 57.34 1uhu h LEU 13 Cb 0.31 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1uhu h LEU 13 CO 0.02 1.24 0.37 0.44 -1.08 0.00 0.00 178.44 179.43 1uhu h ASP 14 N 0.19 0.72 -0.81 -0.43 5.19 0.25 -1.42 116.42 120.11 1uhu h ASP 14 Ca -0.05 -0.03 -0.53 0.00 -0.62 0.00 0.00 57.03 55.80 1uhu h ASP 14 Cb 1.25 -0.18 -0.29 0.00 0.18 0.00 0.00 39.33 40.29 1uhu h ASP 14 CO 0.12 0.55 0.22 1.41 -3.12 0.00 0.00 179.24 178.42 1uhu n HIS 15 N -4.42 2.67 -0.34 4.55 8.25 -0.35 -4.68 115.22 120.91 1uhu n HIS 15 Ca 0.06 -2.39 0.25 0.00 -0.26 0.00 0.00 57.72 55.37 1uhu n HIS 15 Cb 0.07 -0.92 0.53 0.00 1.12 0.00 0.00 29.99 30.79 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 1.71 0.64 -0.61 4.41 -0.00 -0.03 0.82 115.95 122.90 1uhu h TRP 16 Ca 0.48 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.47 1uhu h TRP 16 Cb 1.45 -0.18 -0.07 0.00 -0.00 0.00 0.00 29.16 30.36 1uhu h TRP 16 CO 1.24 0.02 0.26 1.03 -0.00 0.00 0.00 178.44 180.99 1uhu h SER 17 N 0.35 0.31 -0.67 2.65 0.87 -1.84 0.67 113.55 115.89 1uhu h SER 17 Ca 0.63 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 61.19 1uhu h SER 17 Cb 1.65 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.60 1uhu h SER 17 CO -0.32 0.19 0.21 -0.08 -0.53 0.00 0.00 176.83 176.30 1uhu h GLU 18 N 0.48 1.05 -0.35 2.24 4.57 0.29 0.33 114.58 123.18 1uhu h GLU 18 Ca 0.30 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1uhu h GLU 18 Cb 0.32 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1uhu h GLU 18 CO -0.26 0.91 -0.15 0.82 -1.18 0.00 0.00 179.01 179.15 1uhu h ILE 19 N 0.98 1.25 0.00 2.32 1.08 -0.41 -1.22 117.51 121.52 1uhu h ILE 19 Ca 0.22 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.45 1uhu h ILE 19 Cb 0.30 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1uhu h ILE 19 CO -0.01 0.38 -0.38 0.03 -0.69 0.00 0.00 178.15 177.48 1uhu h ARG 20 N 0.57 0.00 -0.03 2.37 3.08 0.84 -2.87 114.38 118.34 1uhu h ARG 20 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1uhu h ARG 20 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1uhu h ARG 20 CO 0.04 0.38 -0.19 1.03 -1.07 0.00 0.00 179.97 180.16 1uhu h SER 21 N 0.00 0.21 -0.49 7.04 0.87 -0.22 -2.78 113.55 118.18 1uhu h SER 21 Ca -0.00 -0.69 0.12 0.00 -1.23 0.00 0.00 61.79 59.98 1uhu h SER 21 Cb 0.87 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1uhu h SER 21 CO 0.05 0.87 0.34 0.03 -0.53 0.00 0.00 176.83 177.59 1uhu h ARG 22 N -0.43 0.13 -0.25 2.24 3.08 -1.19 0.21 114.38 118.17 1uhu h ARG 22 Ca -0.02 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 1uhu h ARG 22 Cb 0.88 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1uhu h ARG 22 CO 0.04 0.09 -0.53 0.00 -1.07 0.00 0.00 179.97 178.50 1uhu h ALA 23 N 1.76 0.60 -0.50 0.04 0.00 -1.46 -0.54 119.26 119.16 1uhu h ALA 23 Ca 0.23 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1uhu h ALA 23 Cb 0.73 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1uhu h ALA 23 CO -0.03 0.68 0.03 1.25 0.00 0.00 0.00 179.25 181.18 1uhu h HIS 24 N 0.56 0.93 -0.38 0.00 2.76 -0.38 1.78 115.15 120.42 1uhu h HIS 24 Ca 0.02 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 57.94 1uhu h HIS 24 Cb 1.10 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1uhu h HIS 24 CO 0.06 0.87 -0.15 -0.97 -1.30 0.00 0.00 177.93 176.44 1uhu h ASN 25 N 0.73 0.67 1.63 3.26 -0.73 -0.96 -2.01 115.58 118.17 1uhu h ASN 25 Ca 0.14 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1uhu h ASN 25 Cb 0.48 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1uhu h ASN 25 CO 0.02 0.84 -0.24 -0.07 -0.37 0.00 0.00 177.43 177.61 1uhu h LEU 26 N 0.62 0.00 -2.06 0.34 3.38 -0.71 -3.48 115.31 113.40 1uhu h LEU 26 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1uhu h LEU 26 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 1uhu h LEU 26 CO 0.04 0.01 -0.08 -0.24 0.09 0.00 0.00 178.44 178.26 1uhu n SER 27 N -2.79 -2.05 -3.96 -0.43 2.88 0.48 -5.05 113.62 102.70 1uhu n SER 27 Ca 0.03 -0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 1uhu n SER 27 Cb 0.51 -0.96 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.04 0.14 -0.04 2.46 -7.23 0.49 -4.98 120.40 108.20 1uhu s VAL 28 Ca 0.00 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.06 1uhu s VAL 28 Cb -0.00 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 1uhu s VAL 28 CO 0.07 -0.64 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.43 1uhu s GLU 29 N -2.61 2.40 0.05 4.82 2.02 -1.26 -3.85 118.70 120.27 1uhu s GLU 29 Ca -0.05 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.13 1uhu s GLU 29 Cb -0.01 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 1uhu s GLU 29 CO -0.05 0.59 0.08 0.96 0.02 0.00 0.00 175.26 176.86 1uhu s ILE 30 N -0.67 0.16 0.35 -1.63 -4.36 -1.26 -4.93 121.20 108.86 1uhu s ILE 30 Ca 0.10 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.26 1uhu s ILE 30 Cb -0.11 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 1uhu s ILE 30 CO 0.00 -0.72 0.20 -0.54 0.24 0.00 0.00 174.94 174.11 1uhu s LYS 31 N -3.24 2.46 0.02 0.37 -0.14 -1.26 -5.02 119.74 112.94 1uhu s LYS 31 Ca 0.00 -1.50 0.24 0.00 -1.36 0.00 0.00 55.97 53.35 1uhu s LYS 31 Cb 0.03 -2.25 0.24 0.00 -1.68 0.00 0.00 37.83 34.16 1uhu s LYS 31 CO -0.08 0.08 1.21 1.17 -0.76 0.00 0.00 175.35 176.97 1uhu n LYS 32 N -1.23 0.10 -0.07 1.68 4.81 -1.26 -2.84 118.16 119.34 1uhu n LYS 32 Ca -0.02 0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1uhu n LYS 32 Cb 0.61 -1.54 -0.12 0.00 0.02 0.00 0.00 35.03 34.00 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 4.85 0.00 1.08 3.14 0.00 -1.99 -3.23 103.07 106.91 1uhu h GLY 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1uhu h GLY 33 CO 0.00 0.00 -0.83 -0.56 0.00 0.00 0.00 176.54 175.15 1uhu h PRO 34 N -1.00 0.65 -1.01 4.80 0.13 -1.98 -1.45 132.00 132.14 1uhu h PRO 34 Ca -0.02 -0.63 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 1uhu h PRO 34 Cb 0.94 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1uhu h PRO 34 CO -0.01 1.24 0.62 2.35 -0.23 0.00 0.00 178.00 181.96 1uhu h TRP 35 N 0.30 0.93 0.01 1.56 2.91 -1.70 1.52 115.95 121.48 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 1.49 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 1uhu h TRP 35 CO 0.11 0.12 -0.07 -0.09 -1.03 0.00 0.00 178.44 177.48 1uhu h ARG 36 N 0.59 0.04 -0.36 2.65 2.43 -1.56 -2.91 114.38 115.26 1uhu h ARG 36 Ca 0.60 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.78 1uhu h ARG 36 Cb 1.18 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 1uhu h ARG 36 CO -0.39 0.90 0.06 1.15 -1.51 0.00 0.00 179.97 180.17 1uhu h THR 37 N -0.79 0.81 -0.95 0.20 2.02 0.06 0.46 112.91 114.71 1uhu h THR 37 Ca -0.01 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1uhu h THR 37 Cb 0.93 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 1uhu h THR 37 CO 0.01 0.03 0.60 -0.26 0.37 0.00 0.00 175.52 176.28 1uhu h PHE 38 N 0.17 1.11 -0.30 3.16 0.04 0.20 0.50 116.94 121.82 1uhu h PHE 38 Ca 0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1uhu h PHE 38 Cb 0.20 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1uhu h PHE 38 CO -0.20 0.54 0.00 0.00 -0.60 0.00 0.00 178.31 178.05 1uhu h ALA 40 N 3.69 0.00 -0.19 0.00 0.00 0.47 -3.43 119.26 119.81 1uhu h ALA 40 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1uhu h ALA 40 Cb 0.45 0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.21 1uhu h ALA 40 CO 0.00 0.23 -0.63 0.45 0.00 0.00 0.00 179.25 179.29 1uhu n SER 41 N -3.32 -0.18 -0.01 0.00 2.88 -0.89 -4.82 113.62 107.27 1uhu n SER 41 Ca -0.03 -2.15 -0.03 0.00 -1.33 0.00 0.00 58.87 55.33 1uhu n SER 41 Cb 0.12 0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.13 0.06 -0.00 -1.46 4.07 -0.98 -4.35 120.64 116.85 1uhu n GLU 42 Ca -0.07 0.03 -0.17 0.00 -0.06 0.00 0.00 57.16 56.88 1uhu n GLU 42 Cb 0.85 -0.63 -0.11 0.00 -0.06 0.00 0.00 31.44 31.49 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 -0.10 0.60 0.00 4.31 6.55 -0.99 -3.01 115.95 123.31 1uhu h TRP 43 Ca -0.07 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.45 1uhu h TRP 43 Cb 1.07 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.30 1uhu h TRP 43 CO -0.01 1.13 0.00 -0.35 -1.05 0.00 0.00 178.44 178.16 1uhu n PRO 44 N -4.24 0.75 -0.41 0.49 -0.04 -1.26 -2.26 135.00 128.03 1uhu n PRO 44 Ca -0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1uhu n PRO 44 Cb 0.65 -1.43 0.24 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.93 2.25 0.20 0.52 -2.24 -1.14 -4.41 114.28 108.53 1uhu n THR 45 Ca 0.15 -1.95 0.10 0.00 -2.27 0.00 0.00 64.05 60.08 1uhu n THR 45 Cb 0.07 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.64 0.00 -1.83 4.78 3.01 -0.96 -4.96 117.46 116.86 1uhu n PHE 46 Ca 0.21 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.67 1uhu n PHE 46 Cb 0.87 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 -2.04 -3.63 0.00 4.37 2.03 -1.26 -5.03 116.55 110.99 1uhu n ASP 47 Ca -0.02 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1uhu n ASP 47 Cb 0.48 -2.17 0.00 0.00 -0.72 0.00 0.00 41.12 38.71 1uhu n ASP 47 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1uhu n VAL 48 N 0.14 0.00 0.00 5.18 0.24 -1.26 -5.04 118.33 117.58 1uhu n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1uhu n VAL 48 Cb 0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 -1.47 0.23 3.57 7.63 0.00 -1.26 -5.11 105.19 108.79 1uhu n GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.42 3.19 0.77 1.61 -0.11 -1.26 -4.94 118.94 117.77 1uhu s TRP 50 Ca 0.00 -0.08 -0.11 0.00 1.22 0.00 0.00 56.10 57.13 1uhu s TRP 50 Cb 0.00 -2.14 0.05 0.00 -1.50 0.00 0.00 33.47 29.89 1uhu s TRP 50 CO 0.00 -0.02 1.09 -1.25 -4.62 0.00 0.00 176.95 172.15 1uhu s PRO 51 N 0.81 2.33 0.15 5.86 0.04 -1.26 -4.31 135.00 138.60 1uhu s PRO 51 Ca 0.04 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 61.77 1uhu s PRO 51 Cb -0.14 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1uhu s PRO 51 CO 0.02 -1.47 1.35 -1.00 0.04 0.00 0.00 177.00 175.94 1uhu h PRO 52 N -0.98 0.42 0.00 0.56 0.13 -1.87 -3.01 132.00 127.24 1uhu h PRO 52 Ca -0.46 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1uhu h PRO 52 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1uhu h PRO 52 CO 0.59 1.06 0.00 0.93 -0.23 0.00 0.00 178.00 180.35 1uhu h GLU 53 N 0.25 0.00 0.00 0.86 3.07 -1.92 -3.42 114.58 113.43 1uhu h GLU 53 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1uhu h GLU 53 Cb 1.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1uhu h GLU 53 CO 0.15 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.17 1uhu n GLY 54 N 0.72 0.85 3.49 -3.84 0.00 -1.14 -2.10 105.19 103.18 1uhu n GLY 54 Ca 0.04 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.56 0.00 -0.50 2.61 -1.32 -1.26 -4.69 115.64 108.93 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 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1uhu s THR 55 CO 0.00 0.00 1.60 0.49 -2.21 0.00 0.00 174.62 174.50 1uhu n PHE 56 N 0.46 3.02 -3.60 9.09 3.72 -1.26 -4.89 117.46 124.00 1uhu n PHE 56 Ca -0.17 -2.63 -0.40 0.00 -0.05 0.00 0.00 57.45 54.19 1uhu n PHE 56 Cb 0.60 -0.85 -0.11 0.00 -0.94 0.00 0.00 39.48 38.18 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 -2.69 5.73 0.30 4.37 -1.08 -1.26 -4.67 116.67 117.38 1uhu s ASP 57 Ca 0.57 -0.98 0.05 0.00 -0.52 0.00 0.00 52.55 51.67 1uhu s ASP 57 Cb 0.45 -2.03 0.81 0.00 -1.46 0.00 0.00 42.92 40.69 1uhu s ASP 57 CO -0.03 -0.38 1.65 0.25 0.52 0.00 0.00 175.17 177.19 1uhu h LEU 58 N 8.44 0.14 -0.23 -1.34 5.85 -1.95 0.81 115.31 127.03 1uhu h LEU 58 Ca -0.26 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1uhu h LEU 58 Cb 1.11 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1uhu h LEU 58 CO 0.67 -0.14 -0.06 0.74 -0.34 0.00 0.00 178.44 179.30 1uhu h THR 59 N 0.25 0.75 -0.11 1.05 2.02 -1.98 1.59 112.91 116.48 1uhu h THR 59 Ca 0.60 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.68 1uhu h THR 59 Cb 1.25 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1uhu h THR 59 CO -0.64 0.00 -0.36 0.58 0.37 0.00 0.00 175.52 175.47 1uhu h VAL 60 N -0.01 1.29 0.14 3.16 2.07 -0.50 -2.41 116.25 119.99 1uhu h VAL 60 Ca 0.11 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1uhu h VAL 60 Cb 0.18 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1uhu h VAL 60 CO -0.24 0.42 -0.07 0.40 0.02 0.00 0.00 177.57 178.09 1uhu h ILE 61 N 0.19 1.02 -0.49 4.57 2.04 0.18 -2.90 117.51 122.13 1uhu h ILE 61 Ca 0.02 -0.90 0.14 0.00 1.00 0.00 0.00 64.86 65.12 1uhu h ILE 61 Cb 0.73 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1uhu h ILE 61 CO 0.06 0.21 0.42 -0.26 0.00 0.00 0.00 178.15 178.57 1uhu h PHE 62 N -0.64 0.00 0.24 1.37 -1.00 0.23 0.12 116.94 117.27 1uhu h PHE 62 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1uhu h PHE 62 Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1uhu h PHE 62 CO 0.06 0.00 -0.12 0.93 -1.61 0.00 0.00 178.31 177.58 1uhu h GLU 63 N 0.00 -0.31 -0.53 1.51 4.39 -1.23 0.18 114.58 118.58 1uhu h GLU 63 Ca 0.23 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 1uhu h GLU 63 Cb 1.07 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1uhu h GLU 63 CO -0.00 -0.06 -0.07 0.28 -1.16 0.00 0.00 179.01 178.00 1uhu h VAL 64 N -0.54 1.26 -0.79 3.13 2.07 -1.07 -2.41 116.25 117.90 1uhu h VAL 64 Ca -0.03 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1uhu h VAL 64 Cb 0.40 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1uhu h VAL 64 CO 0.05 0.43 0.52 0.50 0.02 0.00 0.00 177.57 179.09 1uhu h LYS 65 N 0.87 0.88 0.31 1.57 3.64 -0.72 0.93 116.57 124.06 1uhu h LYS 65 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1uhu h LYS 65 Cb 0.61 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1uhu h LYS 65 CO 0.04 0.58 -0.20 0.00 -2.27 0.00 0.00 179.45 177.60 1uhu h ALA 66 N 1.56 -0.48 -0.48 5.00 0.00 -0.45 1.49 119.26 125.90 1uhu h ALA 66 Ca 0.33 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1uhu h ALA 66 Cb 0.15 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1uhu h ALA 66 CO -0.11 -0.78 0.03 0.82 0.00 0.00 0.00 179.25 179.21 1uhu h ILE 67 N -0.49 1.26 0.08 0.00 5.03 -1.18 -2.08 117.51 120.12 1uhu h ILE 67 Ca -0.03 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 1uhu h ILE 67 Cb 0.42 0.98 -0.01 0.00 -3.03 0.00 0.00 36.82 35.18 1uhu h ILE 67 CO 0.02 0.35 -0.07 0.58 -0.68 0.00 0.00 178.15 178.36 1uhu h VAL 68 N 0.68 0.84 -0.74 1.67 2.07 0.12 -2.36 116.25 118.54 1uhu h VAL 68 Ca 0.14 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.23 1uhu h VAL 68 Cb 0.47 0.84 -0.17 0.00 -1.52 0.00 0.00 31.29 30.91 1uhu h VAL 68 CO 0.02 0.00 0.49 0.49 0.02 0.00 0.00 177.57 178.59 1uhu n PHE 69 N -5.18 1.83 -2.38 1.57 3.01 0.51 -0.29 117.46 116.53 1uhu n PHE 69 Ca -0.07 -2.12 -0.06 0.00 1.01 0.00 0.00 57.45 56.21 1uhu n PHE 69 Cb 0.11 -1.14 0.03 0.00 -0.01 0.00 0.00 39.48 38.47 1uhu n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uhu n GLN 70 N 0.28 0.46 -4.08 -1.08 10.64 -0.80 -4.88 117.38 117.93 1uhu n GLN 70 Ca 0.40 -0.70 -0.27 0.00 -1.83 0.00 0.00 57.00 54.60 1uhu n GLN 70 Cb 0.57 -0.16 -0.06 0.00 -0.86 0.00 0.00 30.24 29.73 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 -2.03 5.49 0.00 2.61 2.15 -1.26 -4.58 116.67 119.06 1uhu s ASP 71 Ca 0.17 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1uhu s ASP 71 Cb -0.01 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.18 1uhu s ASP 71 CO 0.11 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 1uhu n GLY 72 N -0.15 -3.80 0.00 2.66 0.00 -1.26 -4.43 105.19 98.22 1uhu n GLY 72 Ca -0.08 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.06 0.44 0.11 1.61 -0.04 -1.26 -2.69 135.00 133.11 1uhu n PRO 73 Ca 0.00 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1uhu n PRO 73 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 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 -3.38 0.55 0.00 -1.95 -3.46 103.07 98.57 1uhu h GLY 74 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1uhu h GLY 74 CO 0.00 0.00 -0.88 -1.14 0.00 0.00 0.00 176.54 174.52 1uhu n SER 75 N -3.42 -2.73 -4.02 0.19 3.41 -1.10 -4.93 113.62 101.03 1uhu n SER 75 Ca 0.00 0.61 -0.33 0.00 -0.26 0.00 0.00 58.87 58.90 1uhu n SER 75 Cb 0.76 -1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.60 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 3.38 -0.13 7.33 3.76 0.60 -4.89 115.29 123.43 1uhu s HIS 76 Ca 0.60 -2.99 0.27 0.00 -0.15 0.00 0.00 55.06 52.79 1uhu s HIS 76 Cb -0.42 -3.01 0.80 0.00 1.11 0.00 0.00 32.58 31.07 1uhu s HIS 76 CO 0.63 -0.76 1.78 -1.00 -0.85 0.00 0.00 174.74 174.54 1uhu h PRO 77 N 6.54 0.00 0.08 8.40 0.13 -1.92 0.16 132.00 145.39 1uhu h PRO 77 Ca -0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1uhu h PRO 77 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1uhu h PRO 77 CO 0.72 0.06 -1.34 0.22 -0.23 0.00 0.00 178.00 177.43 1uhu h ASP 78 N 0.00 0.26 1.04 1.44 1.82 -1.96 -3.28 116.42 115.74 1uhu h ASP 78 Ca -0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1uhu h ASP 78 Cb 0.80 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1uhu h ASP 78 CO 0.01 1.27 -0.70 1.56 -1.61 0.00 0.00 179.24 179.77 1uhu h GLN 79 N 0.05 0.00 -0.58 0.28 7.50 -1.93 -3.35 115.11 117.07 1uhu h GLN 79 Ca -0.16 0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.11 1uhu h GLN 79 Cb 1.94 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 29.37 1uhu h GLN 79 CO 0.16 0.00 -0.05 1.96 -1.50 0.00 0.00 178.83 179.40 1uhu h GLN 80 N 0.00 0.07 0.00 1.46 4.20 -0.74 1.13 115.11 121.23 1uhu h GLN 80 Ca 0.00 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1uhu h GLN 80 Cb 0.87 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1uhu h GLN 80 CO 0.00 0.05 -0.30 -1.00 -0.67 0.00 0.00 178.83 176.91 1uhu h PRO 81 N 0.08 0.00 0.00 1.46 0.13 -1.74 -1.94 132.00 129.99 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 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1uhu h PRO 81 CO -0.53 0.30 -0.00 1.88 -0.23 0.00 0.00 178.00 179.42 1uhu h TYR 82 N 0.00 -0.00 -0.32 1.56 -1.99 -0.68 -2.98 116.97 112.56 1uhu h TYR 82 Ca -0.00 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1uhu h TYR 82 Cb 0.98 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1uhu h TYR 82 CO 0.00 0.72 -0.12 0.97 -0.00 0.00 0.00 178.16 179.73 1uhu h ILE 83 N -0.73 1.23 -0.19 -2.88 6.09 0.11 -2.72 117.51 118.42 1uhu h ILE 83 Ca -0.00 -1.04 0.05 0.00 -1.37 0.00 0.00 64.86 62.50 1uhu h ILE 83 Cb 0.72 1.12 -0.05 0.00 0.47 0.00 0.00 36.82 39.09 1uhu h ILE 83 CO 0.00 0.34 -0.13 0.74 -3.07 0.00 0.00 178.15 176.04 1uhu h THR 84 N 0.50 0.63 -0.65 2.19 2.02 -1.39 0.22 112.91 116.43 1uhu h THR 84 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1uhu h THR 84 Cb 0.50 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1uhu h THR 84 CO 0.03 0.00 0.38 0.58 0.37 0.00 0.00 175.52 176.88 1uhu h VAL 85 N -0.12 1.02 -0.67 3.16 2.07 -1.35 0.63 116.25 120.99 1uhu h VAL 85 Ca 0.11 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1uhu h VAL 85 Cb 0.29 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1uhu h VAL 85 CO -0.26 0.13 0.28 -0.50 0.02 0.00 0.00 177.57 177.24 1uhu h TRP 86 N 0.73 0.49 -0.20 1.57 4.06 -0.96 0.36 115.95 122.00 1uhu h TRP 86 Ca 0.28 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.25 1uhu h TRP 86 Cb 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1uhu h TRP 86 CO -0.06 0.13 0.10 0.37 -3.56 0.00 0.00 178.44 175.41 1uhu h GLN 87 N 0.47 0.29 -0.97 0.49 4.15 0.52 -2.23 115.11 117.82 1uhu h GLN 87 Ca 0.34 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.80 1uhu h GLN 87 Cb 0.43 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.00 1uhu h GLN 87 CO -0.32 0.31 0.62 0.22 -1.93 0.00 0.00 178.83 177.73 1uhu h ASP 88 N 0.20 0.96 0.11 -0.69 1.82 0.55 -1.32 116.42 118.04 1uhu h ASP 88 Ca 0.07 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1uhu h ASP 88 Cb 0.12 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1uhu h ASP 88 CO -0.01 0.58 -0.26 -0.07 -1.61 0.00 0.00 179.24 177.87 1uhu h LEU 89 N 1.08 -0.75 0.14 2.28 3.38 0.14 0.77 115.31 122.35 1uhu h LEU 89 Ca 0.44 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.51 1uhu h LEU 89 Cb 0.27 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1uhu h LEU 89 CO -0.20 -0.35 -0.47 0.58 0.09 0.00 0.00 178.44 178.08 1uhu h VAL 90 N -0.47 0.00 -0.16 1.22 2.07 -0.77 -0.56 116.25 117.59 1uhu h VAL 90 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1uhu h VAL 90 Cb 0.50 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1uhu h VAL 90 CO -0.16 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 178.84 1uhu h GLN 91 N -0.70 -0.07 -2.99 1.57 4.20 -1.01 -2.12 115.11 113.99 1uhu h GLN 91 Ca -0.01 0.00 -0.77 0.00 0.06 0.00 0.00 58.65 57.94 1uhu h GLN 91 Cb 0.69 0.02 -0.18 0.00 0.30 0.00 0.00 27.48 28.31 1uhu h GLN 91 CO -0.24 -0.05 1.86 0.09 -0.67 0.00 0.00 178.83 179.82 1uhu n ASN 92 N -3.46 6.49 -4.64 1.46 3.02 0.24 -4.98 115.26 113.39 1uhu n ASN 92 Ca -0.00 -3.23 -0.55 0.00 -0.03 0.00 0.00 54.58 50.76 1uhu n ASN 92 Cb 0.08 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.81 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 2.36 2.40 -4.80 6.41 3.41 -0.23 -4.73 113.62 118.43 1uhu n SER 93 Ca 0.46 0.91 -0.30 0.00 -0.26 0.00 0.00 58.87 59.68 1uhu n SER 93 Cb 0.31 -1.18 0.09 0.00 -0.26 0.00 0.00 64.21 63.17 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 4.28 2.03 0.40 4.33 0.04 -1.26 -4.83 135.00 139.99 1uhu s PRO 94 Ca 1.01 0.62 0.22 0.00 0.04 0.00 0.00 61.00 62.89 1uhu s PRO 94 Cb -1.00 -1.91 0.62 0.00 0.04 0.00 0.00 34.50 32.24 1uhu s PRO 94 CO 0.61 -1.65 1.70 -1.00 0.04 0.00 0.00 177.00 176.69 1uhu h PRO 95 N -1.11 0.00 -0.00 0.56 0.13 -1.92 0.53 132.00 130.19 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 0.26 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.93 1uhu n TRP 96 N -3.29 0.00 -0.07 1.56 4.27 -1.26 -3.95 117.44 114.70 1uhu n TRP 96 Ca 0.01 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.54 1uhu n TRP 96 Cb 0.52 -0.46 -0.03 0.00 -1.36 0.00 0.00 31.31 29.99 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 -1.47 1.44 -3.62 -1.67 5.41 -0.90 -5.00 119.36 113.56 1uhu n ILE 97 Ca 0.08 0.18 -0.18 0.00 1.00 0.00 0.00 62.75 63.82 1uhu n ILE 97 Cb 0.33 -2.25 -0.15 0.00 -0.71 0.00 0.00 39.64 36.86 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 -2.77 0.07 -0.14 0.38 -0.14 0.13 -4.88 119.74 112.38 1uhu s LYS 98 Ca -0.25 0.39 -0.06 0.00 -1.36 0.00 0.00 55.97 54.70 1uhu s LYS 98 Cb 0.03 -0.69 -0.04 0.00 -1.68 0.00 0.00 37.83 35.46 1uhu s LYS 98 CO 0.37 -0.43 0.06 0.45 -0.76 0.00 0.00 175.35 175.04 1uhu s SER 99 N 2.28 5.63 0.89 2.83 0.15 -1.25 -4.31 113.70 119.91 1uhu s SER 99 Ca 0.04 0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 1uhu s SER 99 Cb -0.13 -1.84 0.12 0.00 -1.71 0.00 0.00 66.02 62.46 1uhu s SER 99 CO -0.07 0.27 1.10 -0.83 1.20 0.00 0.00 173.24 174.91 1uhu s GLY 100 N -0.24 1.64 -0.03 9.45 0.00 -1.26 -4.96 107.32 111.93 1uhu s GLY 100 Ca 0.08 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 1uhu s GLY 100 CO 0.01 0.61 1.20 2.56 0.00 0.00 0.00 173.10 177.49 1uhu s PRO 101 N -4.83 4.37 -0.40 2.90 0.04 -1.26 -5.00 135.00 130.83 1uhu s PRO 101 Ca 0.64 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 1uhu s PRO 101 Cb -0.19 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.85 1uhu s PRO 101 CO 0.58 -0.40 0.33 -1.12 0.04 0.00 0.00 177.00 176.43 1uhu s SER 102 N 1.39 6.13 0.04 6.66 0.01 -1.26 -4.79 113.70 121.88 1uhu s SER 102 Ca 0.57 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1uhu s SER 102 Cb -0.26 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1uhu s SER 102 CO 0.24 -0.44 0.00 -1.20 0.41 0.00 0.00 173.24 172.25 1uhu n SER 103 N 5.28 -8.52 0.00 2.44 7.64 -1.26 -5.33 113.62 113.86 1uhu n SER 103 Ca -0.10 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.34 1uhu n SER 103 Cb 0.48 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1uhu n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64