#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 7.07 0.06 1.61 0.01 -1.26 -4.98 113.70 116.21 1uhu s SER 1 Ca 0.00 1.74 -0.24 0.00 1.31 0.00 0.00 55.95 58.75 1uhu s SER 1 Cb 0.00 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.51 1uhu s SER 1 CO 0.00 -0.26 1.61 -1.28 0.41 0.00 0.00 173.24 173.71 1uhu h SER 2 N 2.33 -0.08 0.00 2.44 0.87 -2.07 -3.49 113.55 113.54 1uhu h SER 2 Ca -0.48 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1uhu h SER 2 Cb 1.18 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1uhu h SER 2 CO 0.62 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 1uhu n GLY 3 N -0.81 -0.73 2.59 5.77 0.00 -1.26 -5.12 105.19 105.62 1uhu n GLY 3 Ca -0.08 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.75 -3.64 1.61 7.64 -1.26 -4.83 113.62 112.38 1uhu n SER 4 Ca 0.00 1.38 -0.15 0.00 1.01 0.00 0.00 58.87 61.11 1uhu n SER 4 Cb 0.00 -5.28 -0.07 0.00 -1.01 0.00 0.00 64.21 57.85 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 -0.66 -0.45 0.00 6.43 0.15 -1.26 -4.77 113.70 113.15 1uhu s SER 5 Ca -0.28 0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1uhu s SER 5 Cb 0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1uhu s SER 5 CO 0.76 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1uhu n GLY 6 N 1.30 1.98 3.72 9.45 0.00 -1.26 -5.10 105.19 115.27 1uhu n GLY 6 Ca -0.19 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.79 2.55 0.01 2.61 -4.23 -1.26 -4.83 115.64 111.28 1uhu s THR 7 Ca 0.00 0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.49 1uhu s THR 7 Cb 0.00 -2.69 -0.22 0.00 1.34 0.00 0.00 72.50 70.93 1uhu s THR 7 CO 0.00 -0.24 1.13 1.55 -0.54 0.00 0.00 174.62 176.53 1uhu h PRO 8 N -1.58 0.40 -0.59 3.99 0.13 -1.85 0.20 132.00 132.70 1uhu h PRO 8 Ca -0.50 -0.39 -0.10 0.00 -0.87 0.00 0.00 66.00 64.13 1uhu h PRO 8 Cb 1.29 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1uhu h PRO 8 CO 0.56 1.05 -0.02 1.25 -0.23 0.00 0.00 178.00 180.60 1uhu h LEU 9 N -0.10 1.03 -0.30 1.56 5.85 -1.04 0.23 115.31 122.54 1uhu h LEU 9 Ca -0.06 -0.30 -0.19 0.00 0.84 0.00 0.00 57.88 58.17 1uhu h LEU 9 Cb 1.21 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1uhu h LEU 9 CO 0.10 1.09 -0.61 -1.28 -0.34 0.00 0.00 178.44 177.41 1uhu h SER 10 N 0.95 0.91 -0.05 1.25 0.87 -1.77 -1.52 113.55 114.19 1uhu h SER 10 Ca 0.16 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1uhu h SER 10 Cb 0.58 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1uhu h SER 10 CO 0.03 1.30 0.01 -0.07 -0.53 0.00 0.00 176.83 177.58 1uhu h LEU 11 N 0.60 0.07 -1.14 2.23 3.38 -0.37 0.45 115.31 120.54 1uhu h LEU 11 Ca -0.00 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1uhu h LEU 11 Cb 1.21 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1uhu h LEU 11 CO 0.13 0.28 0.59 0.71 0.09 0.00 0.00 178.44 180.24 1uhu h THR 12 N -0.14 1.15 -0.22 0.22 1.35 -0.55 0.23 112.91 114.95 1uhu h THR 12 Ca 0.02 -0.38 -0.10 0.00 -0.55 0.00 0.00 66.41 65.39 1uhu h THR 12 Cb 0.24 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 66.59 1uhu h THR 12 CO 0.00 0.20 -0.27 -0.07 -0.25 0.00 0.00 175.52 175.14 1uhu h LEU 13 N 1.12 0.62 -1.45 3.87 3.38 -0.99 -0.81 115.31 121.05 1uhu h LEU 13 Ca 0.35 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1uhu h LEU 13 Cb 0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1uhu h LEU 13 CO -0.11 0.99 0.45 0.44 0.09 0.00 0.00 178.44 180.31 1uhu h ASP 14 N 0.26 0.58 -0.88 -0.43 3.32 0.68 -0.67 116.42 119.29 1uhu h ASP 14 Ca 0.03 0.01 -0.61 0.00 0.02 0.00 0.00 57.03 56.47 1uhu h ASP 14 Cb 0.83 -0.12 -0.37 0.00 0.22 0.00 0.00 39.33 39.90 1uhu h ASP 14 CO 0.06 0.37 -0.04 1.41 -1.72 0.00 0.00 179.24 179.33 1uhu n HIS 15 N -4.48 2.98 -0.33 4.55 8.25 -0.00 -4.72 115.22 121.46 1uhu n HIS 15 Ca 0.10 -2.60 0.19 0.00 -0.26 0.00 0.00 57.72 55.15 1uhu n HIS 15 Cb 0.26 -0.85 0.43 0.00 1.12 0.00 0.00 29.99 30.95 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 2.11 0.86 -0.86 4.41 -0.00 0.39 1.10 115.95 123.97 1uhu h TRP 16 Ca 0.48 0.03 0.17 0.00 -0.00 0.00 0.00 58.89 59.57 1uhu h TRP 16 Cb 1.19 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.16 30.03 1uhu h TRP 16 CO 1.12 0.11 0.56 0.77 -0.00 0.00 0.00 178.44 181.00 1uhu h SER 17 N 0.54 0.49 0.03 2.65 0.02 -1.84 0.89 113.55 116.33 1uhu h SER 17 Ca 0.60 0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 61.33 1uhu h SER 17 Cb 1.26 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.76 1uhu h SER 17 CO -0.37 0.23 -1.04 -0.08 -1.14 0.00 0.00 176.83 174.43 1uhu h GLU 18 N 0.51 0.65 -0.37 3.45 4.81 0.89 -2.43 114.58 122.09 1uhu h GLU 18 Ca 0.44 -0.74 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1uhu h GLU 18 Cb 0.93 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1uhu h GLU 18 CO -0.17 1.32 -0.11 0.82 -0.73 0.00 0.00 179.01 180.13 1uhu h ILE 19 N 0.30 1.24 0.00 2.32 1.08 -0.02 -0.40 117.51 122.04 1uhu h ILE 19 Ca -0.14 -1.09 -0.07 0.00 -0.39 0.00 0.00 64.86 63.18 1uhu h ILE 19 Cb 1.70 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 1uhu h ILE 19 CO 0.20 0.37 -0.31 0.03 -0.69 0.00 0.00 178.15 177.74 1uhu h ARG 20 N 0.59 0.00 0.09 2.37 3.08 0.70 -2.97 114.38 118.25 1uhu h ARG 20 Ca 0.11 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.95 1uhu h ARG 20 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.60 1uhu h ARG 20 CO 0.03 0.31 -0.85 1.03 -1.07 0.00 0.00 179.97 179.42 1uhu h SER 21 N 0.00 0.59 -0.62 7.04 0.87 -0.83 -2.73 113.55 117.87 1uhu h SER 21 Ca -0.00 -0.86 0.14 0.00 -1.23 0.00 0.00 61.79 59.83 1uhu h SER 21 Cb 0.80 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1uhu h SER 21 CO 0.04 1.39 0.43 0.03 -0.53 0.00 0.00 176.83 178.19 1uhu h ARG 22 N -0.14 0.22 0.01 2.24 2.47 -0.99 0.74 114.38 118.94 1uhu h ARG 22 Ca -0.13 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.34 1uhu h ARG 22 Cb 1.61 -0.05 0.02 0.00 -1.65 0.00 0.00 29.97 29.89 1uhu h ARG 22 CO 0.16 0.15 -0.90 0.00 0.56 0.00 0.00 179.97 179.94 1uhu h ALA 23 N 1.70 0.09 -0.40 0.04 0.00 -1.54 -1.95 119.26 117.20 1uhu h ALA 23 Ca 0.30 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1uhu h ALA 23 Cb 0.85 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1uhu h ALA 23 CO -0.06 0.56 0.13 1.25 0.00 0.00 0.00 179.25 181.13 1uhu h HIS 24 N 0.20 0.23 -0.02 0.00 6.17 -0.61 1.10 115.15 122.21 1uhu h HIS 24 Ca -0.12 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 60.90 1uhu h HIS 24 Cb 1.58 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.46 1uhu h HIS 24 CO 0.12 0.08 -0.37 -0.97 0.71 0.00 0.00 177.93 177.50 1uhu h ASN 25 N 0.28 0.04 -0.03 3.26 -0.73 -1.10 -0.73 115.58 116.57 1uhu h ASN 25 Ca 0.19 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1uhu h ASN 25 Cb 0.18 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1uhu h ASN 25 CO -0.20 0.40 0.00 0.18 -0.37 0.00 0.00 177.43 177.44 1uhu n LEU 26 N -4.09 1.04 -3.58 0.34 4.77 0.01 -4.91 117.00 110.57 1uhu n LEU 26 Ca -0.02 -0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.38 1uhu n LEU 26 Cb 0.41 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1uhu n LEU 26 CO 0.39 0.18 0.14 -1.20 -1.33 0.00 0.00 177.39 175.57 1uhu n SER 27 N -0.17 -3.76 -4.10 -1.43 7.64 0.30 -5.00 113.62 107.11 1uhu n SER 27 Ca 0.20 -0.64 -0.10 0.00 1.01 0.00 0.00 58.87 59.34 1uhu n SER 27 Cb 0.27 -4.82 -0.10 0.00 -1.01 0.00 0.00 64.21 58.54 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 -3.38 0.45 -0.00 0.44 -7.23 0.27 -4.99 120.40 105.96 1uhu s VAL 28 Ca 0.28 -1.62 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 1uhu s VAL 28 Cb -0.13 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1uhu s VAL 28 CO 0.75 -0.78 -0.26 -0.70 -0.31 0.00 0.00 175.10 173.80 1uhu s GLU 29 N -3.17 2.01 0.16 4.82 2.12 -1.26 -3.55 118.70 119.83 1uhu s GLU 29 Ca 0.03 -0.98 -0.05 0.00 0.36 0.00 0.00 54.97 54.33 1uhu s GLU 29 Cb 0.02 -2.01 -0.02 0.00 0.26 0.00 0.00 34.13 32.37 1uhu s GLU 29 CO -0.05 0.54 0.19 0.96 -0.54 0.00 0.00 175.26 176.36 1uhu s ILE 30 N -0.67 0.07 0.36 -3.70 -4.36 -1.26 -4.90 121.20 106.75 1uhu s ILE 30 Ca 0.10 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.91 1uhu s ILE 30 Cb -0.10 -2.00 -0.07 0.00 1.25 0.00 0.00 42.46 41.54 1uhu s ILE 30 CO -0.00 -0.32 -0.02 -0.54 0.24 0.00 0.00 174.94 174.30 1uhu s LYS 31 N -4.02 1.82 -0.07 0.37 1.02 -1.26 -5.04 119.74 112.56 1uhu s LYS 31 Ca 0.22 -1.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.10 1uhu s LYS 31 Cb 0.05 -1.48 -0.29 0.00 -0.52 0.00 0.00 37.83 35.59 1uhu s LYS 31 CO 0.02 -0.01 0.60 -0.22 -0.92 0.00 0.00 175.35 174.82 1uhu h LYS 32 N 1.95 0.33 -0.26 1.68 3.64 -2.01 -2.15 116.57 119.76 1uhu h LYS 32 Ca -0.42 -0.57 0.05 0.00 -1.27 0.00 0.00 60.65 58.44 1uhu h LYS 32 Cb 1.24 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 33.22 1uhu h LYS 32 CO 0.75 1.27 -0.09 0.78 -2.27 0.00 0.00 179.45 179.90 1uhu h GLY 33 N 0.52 0.15 1.00 5.01 0.00 -1.99 -0.08 103.07 107.69 1uhu h GLY 33 Ca -0.34 0.11 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 1uhu h GLY 33 CO 0.13 -0.12 -0.76 -0.56 0.00 0.00 0.00 176.54 175.24 1uhu h PRO 34 N -0.03 0.59 -1.01 4.80 0.13 -1.99 -1.48 132.00 133.02 1uhu h PRO 34 Ca 0.13 -0.58 0.24 0.00 -0.87 0.00 0.00 66.00 64.92 1uhu h PRO 34 Cb 0.23 0.15 -0.12 0.00 0.13 0.00 0.00 31.00 31.39 1uhu h PRO 34 CO -0.29 1.19 0.60 2.35 -0.23 0.00 0.00 178.00 181.63 1uhu h TRP 35 N 0.21 1.01 0.01 1.56 2.91 -1.11 1.17 115.95 121.70 1uhu h TRP 35 Ca -0.08 0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 1uhu h TRP 35 Cb 1.42 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1uhu h TRP 35 CO 0.12 0.09 -0.15 -0.09 -1.03 0.00 0.00 178.44 177.38 1uhu h ARG 36 N 0.61 0.09 -0.14 2.65 2.43 -0.97 -2.87 114.38 116.18 1uhu h ARG 36 Ca 0.63 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.74 1uhu h ARG 36 Cb 1.18 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.72 1uhu h ARG 36 CO -0.45 0.90 -0.17 1.15 -1.51 0.00 0.00 179.97 179.88 1uhu h THR 37 N -0.66 0.55 -0.34 0.20 2.02 0.13 1.35 112.91 116.16 1uhu h THR 37 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1uhu h THR 37 Cb 0.95 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1uhu h THR 37 CO 0.03 0.00 0.23 -0.26 0.37 0.00 0.00 175.52 175.89 1uhu h PHE 38 N -0.21 0.13 -0.51 3.16 0.04 0.12 0.46 116.94 120.13 1uhu h PHE 38 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1uhu h PHE 38 Cb 0.36 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1uhu h PHE 38 CO -0.29 0.07 0.00 0.00 -0.60 0.00 0.00 178.31 177.49 1uhu n ALA 40 N 0.56 0.58 -2.55 0.00 0.00 0.45 -4.65 120.51 114.91 1uhu n ALA 40 Ca 0.24 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1uhu n ALA 40 Cb 0.93 0.02 0.02 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 -3.41 0.94 -0.02 0.00 2.88 -0.85 -4.71 113.62 108.45 1uhu n SER 41 Ca -0.06 -2.01 -0.06 0.00 -1.33 0.00 0.00 58.87 55.41 1uhu n SER 41 Cb 0.23 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.17 0.12 0.04 -1.46 4.07 -1.21 -4.36 120.64 118.02 1uhu n GLU 42 Ca 0.03 0.05 -0.20 0.00 -0.06 0.00 0.00 57.16 56.99 1uhu n GLU 42 Cb 1.03 -0.70 -0.12 0.00 -0.06 0.00 0.00 31.44 31.60 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 0.80 0.00 4.31 6.55 -0.31 -3.04 115.95 124.06 1uhu h TRP 43 Ca -0.13 -0.48 0.00 0.00 0.95 0.00 0.00 58.89 59.24 1uhu h TRP 43 Cb 1.03 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1uhu h TRP 43 CO -0.02 1.32 0.00 -0.35 -1.05 0.00 0.00 178.44 178.33 1uhu n PRO 44 N -4.01 0.75 -0.22 0.49 -0.04 -1.25 -2.24 135.00 128.47 1uhu n PRO 44 Ca -0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1uhu n PRO 44 Cb 0.83 -1.35 0.15 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.85 1.90 -0.41 0.52 -2.24 -1.15 -4.63 114.28 107.43 1uhu n THR 45 Ca 0.12 -2.44 0.08 0.00 -2.27 0.00 0.00 64.05 59.54 1uhu n THR 45 Cb 0.06 -0.21 0.33 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.31 1.44 -4.01 4.78 3.01 -0.95 -4.94 117.46 115.49 1uhu n PHE 46 Ca 0.16 -0.55 -0.43 0.00 1.01 0.00 0.00 57.45 57.64 1uhu n PHE 46 Cb 0.66 -0.28 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.87 -4.07 0.00 4.37 8.00 -1.26 -4.82 116.55 119.64 1uhu n ASP 47 Ca 0.23 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1uhu n ASP 47 Cb 0.87 -2.04 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 1uhu n ASP 47 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1uhu n VAL 48 N -4.86 0.00 0.00 2.53 3.14 -1.26 -5.06 118.33 112.83 1uhu n VAL 48 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1uhu n VAL 48 Cb 0.58 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 2.16 0.45 3.57 7.55 0.00 -1.26 -5.10 105.19 112.55 1uhu n GLY 49 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.89 3.19 0.95 1.61 -0.11 -1.26 -5.01 118.94 117.42 1uhu s TRP 50 Ca 0.00 -0.08 -0.14 0.00 1.22 0.00 0.00 56.10 57.11 1uhu s TRP 50 Cb 0.00 -2.18 0.16 0.00 -1.50 0.00 0.00 33.47 29.96 1uhu s TRP 50 CO 0.00 -0.06 1.16 -1.25 -4.62 0.00 0.00 176.95 172.18 1uhu s PRO 51 N 0.98 0.80 0.14 5.86 0.04 -1.26 -3.88 135.00 137.69 1uhu s PRO 51 Ca 0.05 0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 1uhu s PRO 51 Cb -0.14 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1uhu s PRO 51 CO 0.03 -2.40 1.35 -1.00 0.04 0.00 0.00 177.00 175.02 1uhu h PRO 52 N -1.64 0.41 0.00 0.56 0.13 -1.86 -3.05 132.00 126.56 1uhu h PRO 52 Ca -0.49 -0.40 -0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1uhu h PRO 52 Cb 1.32 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 1uhu h PRO 52 CO 0.56 1.06 -0.02 1.05 -0.23 0.00 0.00 178.00 180.42 1uhu h GLU 53 N 0.25 0.00 0.00 0.86 4.11 -1.93 -3.42 114.58 114.46 1uhu h GLU 53 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1uhu h GLU 53 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1uhu h GLU 53 CO 0.15 0.02 0.00 0.41 0.07 0.00 0.00 179.01 179.66 1uhu n GLY 54 N 0.47 -4.29 3.63 1.06 0.00 -1.15 -0.38 105.19 104.52 1uhu n GLY 54 Ca 0.02 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.96 0.00 -0.38 2.61 -1.32 -1.26 -4.63 115.64 109.70 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 0.44 0.00 -1.51 0.00 0.00 72.50 70.43 1uhu s THR 55 CO 0.00 0.00 1.78 0.49 -2.21 0.00 0.00 174.62 174.68 1uhu n PHE 56 N 2.46 2.28 -3.18 9.09 3.72 -1.26 -4.78 117.46 125.78 1uhu n PHE 56 Ca -0.13 -1.80 -0.43 0.00 -0.05 0.00 0.00 57.45 55.03 1uhu n PHE 56 Cb 0.55 -0.90 -0.07 0.00 -0.94 0.00 0.00 39.48 38.13 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 -0.71 6.24 0.34 4.37 2.15 -1.26 -4.78 116.67 123.02 1uhu s ASP 57 Ca 0.43 -0.72 0.13 0.00 0.43 0.00 0.00 52.55 52.82 1uhu s ASP 57 Cb 0.36 -2.28 1.00 0.00 -0.30 0.00 0.00 42.92 41.69 1uhu s ASP 57 CO 0.05 -0.79 1.72 0.25 -0.17 0.00 0.00 175.17 176.23 1uhu h LEU 58 N 9.54 0.58 -0.10 -1.34 5.85 -1.97 0.52 115.31 128.40 1uhu h LEU 58 Ca -0.27 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1uhu h LEU 58 Cb 1.10 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1uhu h LEU 58 CO 0.91 0.04 -0.20 0.74 -0.34 0.00 0.00 178.44 179.58 1uhu h THR 59 N 0.47 0.49 -0.33 1.05 2.02 -1.98 1.56 112.91 116.19 1uhu h THR 59 Ca 0.66 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.75 1uhu h THR 59 Cb 1.43 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1uhu h THR 59 CO -0.46 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 175.84 1uhu h VAL 60 N -0.27 1.29 0.03 3.16 2.07 -0.99 -2.42 116.25 119.11 1uhu h VAL 60 Ca 0.09 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1uhu h VAL 60 Cb 0.41 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1uhu h VAL 60 CO -0.26 0.42 -0.14 0.40 0.02 0.00 0.00 177.57 178.00 1uhu h ILE 61 N 0.46 0.66 -0.89 4.57 2.04 0.47 -0.53 117.51 124.28 1uhu h ILE 61 Ca 0.07 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.09 1uhu h ILE 61 Cb 0.70 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1uhu h ILE 61 CO 0.05 0.00 0.58 -0.26 0.00 0.00 0.00 178.15 178.52 1uhu h PHE 62 N -0.25 0.76 0.21 1.37 -1.00 0.23 1.49 116.94 119.75 1uhu h PHE 62 Ca 0.04 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1uhu h PHE 62 Cb 0.30 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1uhu h PHE 62 CO -0.18 0.25 -0.10 0.93 -1.61 0.00 0.00 178.31 177.60 1uhu h GLU 63 N 0.62 -0.28 -0.51 1.51 4.39 -0.73 0.91 114.58 120.48 1uhu h GLU 63 Ca 0.46 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.08 1uhu h GLU 63 Cb 0.84 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1uhu h GLU 63 CO -0.21 -0.00 -0.05 0.28 -1.16 0.00 0.00 179.01 177.87 1uhu h VAL 64 N -0.54 1.27 0.33 3.13 2.07 -0.12 -0.91 116.25 121.47 1uhu h VAL 64 Ca -0.03 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1uhu h VAL 64 Cb 0.40 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1uhu h VAL 64 CO 0.05 0.41 -0.16 0.50 0.02 0.00 0.00 177.57 178.39 1uhu h LYS 65 N 0.81 -0.43 -0.82 1.57 3.64 0.21 -1.30 116.57 120.26 1uhu h LYS 65 Ca 0.14 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.70 1uhu h LYS 65 Cb 0.60 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 1uhu h LYS 65 CO 0.04 -0.21 0.54 0.00 -2.27 0.00 0.00 179.45 177.55 1uhu h ALA 66 N 0.07 2.03 0.09 5.00 0.00 0.93 1.98 119.26 129.35 1uhu h ALA 66 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uhu h ALA 66 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1uhu h ALA 66 CO 0.07 -0.26 -0.04 0.82 0.00 0.00 0.00 179.25 179.84 1uhu h ILE 67 N 0.51 0.97 -0.10 0.00 2.04 -0.59 0.24 117.51 120.57 1uhu h ILE 67 Ca 0.41 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.92 1uhu h ILE 67 Cb 0.85 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1uhu h ILE 67 CO -0.16 0.05 -0.64 -0.37 0.00 0.00 0.00 178.15 177.03 1uhu h VAL 68 N -0.20 1.37 -0.40 1.67 -1.51 0.13 -2.83 116.25 114.47 1uhu h VAL 68 Ca -0.01 -2.00 -0.14 0.00 -1.23 0.00 0.00 66.70 63.32 1uhu h VAL 68 Cb 0.16 1.99 -0.08 0.00 -2.13 0.00 0.00 31.29 31.23 1uhu h VAL 68 CO 0.02 0.60 0.18 0.49 -1.23 0.00 0.00 177.57 177.63 1uhu n PHE 69 N -3.88 1.29 -1.17 5.19 3.01 0.65 -0.69 117.46 121.87 1uhu n PHE 69 Ca -0.03 -0.79 -0.06 0.00 1.01 0.00 0.00 57.45 57.57 1uhu n PHE 69 Cb 0.65 -0.46 0.04 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.03 -0.31 -4.38 -1.08 10.64 0.82 -4.86 117.38 118.18 1uhu n GLN 70 Ca 0.22 -0.42 -0.33 0.00 -1.83 0.00 0.00 57.00 54.65 1uhu n GLN 70 Cb 0.91 -0.28 -0.10 0.00 -0.86 0.00 0.00 30.24 29.92 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 -1.99 4.93 0.00 2.61 2.15 -1.26 -4.57 116.67 118.53 1uhu s ASP 71 Ca 0.15 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.10 1uhu s ASP 71 Cb -0.00 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.36 1uhu s ASP 71 CO 0.11 0.30 0.00 0.61 -0.17 0.00 0.00 175.17 176.02 1uhu n GLY 72 N 1.60 -1.98 0.00 2.66 0.00 -1.26 -4.54 105.19 101.68 1uhu n GLY 72 Ca -0.16 -2.16 0.12 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.15 0.57 0.08 1.61 -0.04 -1.26 -2.77 135.00 133.04 1uhu n PRO 73 Ca 0.00 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.41 1uhu n PRO 73 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.13 -3.72 0.55 0.00 -1.95 -3.46 103.07 98.37 1uhu h GLY 74 Ca 0.00 -0.27 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 1uhu h GLY 74 CO 0.00 0.24 0.35 -1.14 0.00 0.00 0.00 176.54 175.99 1uhu n SER 75 N -3.54 2.01 -4.11 0.19 3.41 -1.12 -4.87 113.62 105.59 1uhu n SER 75 Ca -0.03 1.08 -0.36 0.00 -0.26 0.00 0.00 58.87 59.30 1uhu n SER 75 Cb 0.87 -1.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.22 3.57 -1.39 7.33 0.09 0.14 -4.92 115.29 118.89 1uhu s HIS 76 Ca 0.62 -2.47 0.23 0.00 -0.00 0.00 0.00 55.06 53.43 1uhu s HIS 76 Cb -0.53 -3.21 1.13 0.00 -0.00 0.00 0.00 32.58 29.97 1uhu s HIS 76 CO 0.57 -0.96 1.74 -0.35 -0.00 0.00 0.00 174.74 175.75 1uhu n PRO 77 N 4.45 0.30 0.10 8.40 -0.04 -1.26 -1.51 135.00 145.44 1uhu n PRO 77 Ca -0.01 0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 1uhu n PRO 77 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.72 1.00 3.54 5.19 -1.95 -3.32 116.42 121.60 1uhu h ASP 78 Ca 0.00 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1uhu h ASP 78 Cb 0.23 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1uhu h ASP 78 CO 0.00 1.76 -0.68 1.56 -3.12 0.00 0.00 179.24 178.76 1uhu h GLN 79 N 0.12 0.00 -0.62 3.56 4.20 -1.92 -3.36 115.11 117.09 1uhu h GLN 79 Ca -0.31 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.53 1uhu h GLN 79 Cb 2.13 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.80 1uhu h GLN 79 CO 0.22 0.00 -0.04 1.96 -0.67 0.00 0.00 178.83 180.30 1uhu h GLN 80 N 0.00 0.08 0.00 1.46 4.20 -1.37 1.31 115.11 120.80 1uhu h GLN 80 Ca 0.00 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1uhu h GLN 80 Cb 0.84 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1uhu h GLN 80 CO 0.00 0.05 -0.25 -1.00 -0.67 0.00 0.00 178.83 176.96 1uhu h PRO 81 N 0.09 0.00 0.00 1.46 0.13 -1.74 -0.54 132.00 131.40 1uhu h PRO 81 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.44 1uhu h PRO 81 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1uhu h PRO 81 CO -0.56 0.25 -0.03 1.88 -0.23 0.00 0.00 178.00 179.32 1uhu h TYR 82 N 0.00 0.02 -0.21 1.56 -1.99 -0.50 -3.15 116.97 112.71 1uhu h TYR 82 Ca -0.00 -0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.57 1uhu h TYR 82 Cb 0.95 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 1uhu h TYR 82 CO 0.00 0.83 -0.45 0.97 -0.00 0.00 0.00 178.16 179.50 1uhu h ILE 83 N -0.78 1.31 -0.84 -2.88 6.09 0.14 -2.96 117.51 117.59 1uhu h ILE 83 Ca -0.00 -1.65 0.16 0.00 -1.37 0.00 0.00 64.86 62.00 1uhu h ILE 83 Cb 0.83 1.64 -0.10 0.00 0.47 0.00 0.00 36.82 39.66 1uhu h ILE 83 CO 0.00 0.51 0.40 0.74 -3.07 0.00 0.00 178.15 176.74 1uhu h THR 84 N 0.43 0.67 -0.48 2.19 2.02 -1.17 0.33 112.91 116.89 1uhu h THR 84 Ca 0.03 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1uhu h THR 84 Cb 0.96 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1uhu h THR 84 CO 0.09 0.10 -0.07 0.58 0.37 0.00 0.00 175.52 176.58 1uhu h VAL 85 N 0.55 1.26 -0.17 3.16 2.07 -1.47 -2.45 116.25 119.20 1uhu h VAL 85 Ca 0.47 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1uhu h VAL 85 Cb 0.72 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1uhu h VAL 85 CO -0.40 0.40 0.08 -0.50 0.02 0.00 0.00 177.57 177.17 1uhu h TRP 86 N 0.78 0.14 -0.72 1.57 4.06 -0.37 0.52 115.95 121.93 1uhu h TRP 86 Ca 0.14 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.23 1uhu h TRP 86 Cb 0.57 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.64 1uhu h TRP 86 CO 0.03 0.08 0.48 0.37 -3.56 0.00 0.00 178.44 175.85 1uhu h GLN 87 N 0.17 0.39 -0.22 0.49 -0.00 -0.51 0.18 115.11 115.61 1uhu h GLN 87 Ca 0.07 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 1uhu h GLN 87 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.41 1uhu h GLN 87 CO -0.05 0.26 -0.60 0.22 0.00 0.00 0.00 178.83 178.65 1uhu h ASP 88 N 0.40 0.81 -0.72 -0.69 1.82 -0.69 -2.26 116.42 115.10 1uhu h ASP 88 Ca 0.35 -0.46 0.09 0.00 -0.39 0.00 0.00 57.03 56.62 1uhu h ASP 88 Cb 0.80 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.51 1uhu h ASP 88 CO -0.11 1.22 0.36 -0.07 -1.61 0.00 0.00 179.24 179.04 1uhu h LEU 89 N 0.54 0.48 0.35 2.28 -0.00 0.14 0.38 115.31 119.49 1uhu h LEU 89 Ca -0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1uhu h LEU 89 Cb 1.19 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1uhu h LEU 89 CO 0.12 0.28 -0.17 0.58 -0.00 0.00 0.00 178.44 179.26 1uhu h VAL 90 N 0.62 0.66 0.00 1.22 2.07 -1.29 -3.17 116.25 116.37 1uhu h VAL 90 Ca 0.35 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1uhu h VAL 90 Cb 0.35 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1uhu h VAL 90 CO -0.26 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.41 1uhu n GLN 91 N -5.19 0.00 -2.98 1.57 6.02 -0.85 -3.30 117.38 112.66 1uhu n GLN 91 Ca -0.10 0.73 -0.44 0.00 -0.01 0.00 0.00 57.00 57.18 1uhu n GLN 91 Cb 0.26 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 1uhu n GLN 91 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1uhu s ASN 92 N -2.67 6.86 -0.21 1.08 0.01 0.07 -4.98 114.94 115.10 1uhu s ASN 92 Ca 0.00 -2.56 -0.28 0.00 -0.71 0.00 0.00 52.86 49.30 1uhu s ASN 92 Cb 0.00 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1uhu s ASN 92 CO 0.00 -0.86 2.03 -0.94 -1.51 0.00 0.00 177.10 175.81 1uhu s SER 93 N 3.10 5.77 0.87 -1.22 1.04 -1.20 -4.67 113.70 117.40 1uhu s SER 93 Ca 0.36 1.82 -0.12 0.00 0.48 0.00 0.00 55.95 58.49 1uhu s SER 93 Cb -0.04 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.67 1uhu s SER 93 CO -0.05 -1.72 1.12 -2.16 0.98 0.00 0.00 173.24 171.41 1uhu s PRO 94 N 5.79 1.50 0.36 4.02 0.04 -1.26 -4.74 135.00 140.70 1uhu s PRO 94 Ca 0.91 0.43 0.19 0.00 0.04 0.00 0.00 61.00 62.57 1uhu s PRO 94 Cb -0.31 -1.87 0.53 0.00 0.04 0.00 0.00 34.50 32.89 1uhu s PRO 94 CO 0.35 -1.98 1.66 -1.00 0.04 0.00 0.00 177.00 176.06 1uhu h PRO 95 N -1.35 0.00 -0.00 0.56 0.13 -2.00 0.29 132.00 129.64 1uhu h PRO 95 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uhu h PRO 95 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uhu h PRO 95 CO 0.61 0.36 -0.01 -2.67 -0.23 0.00 0.00 178.00 176.05 1uhu n TRP 96 N -3.36 0.00 0.00 1.56 4.27 -1.26 -4.24 117.44 114.41 1uhu n TRP 96 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 1uhu n TRP 96 Cb 0.57 -0.27 0.00 0.00 -1.36 0.00 0.00 31.31 30.25 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 -1.25 0.00 -3.88 -1.67 5.41 -0.90 -4.71 119.36 112.36 1uhu n ILE 97 Ca 0.14 0.16 -0.32 0.00 1.00 0.00 0.00 62.75 63.74 1uhu n ILE 97 Cb 0.24 -1.10 0.01 0.00 -0.71 0.00 0.00 39.64 38.08 1uhu n ILE 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1uhu n LYS 98 N -2.23 -1.07 -1.38 0.38 0.00 0.96 -4.75 118.16 110.08 1uhu n LYS 98 Ca 0.00 0.52 -0.40 0.00 0.00 0.00 0.00 58.31 58.43 1uhu n LYS 98 Cb 0.00 -2.47 0.01 0.00 0.00 0.00 0.00 35.03 32.57 1uhu n LYS 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1uhu n SER 99 N -2.45 -1.98 -3.88 3.14 3.41 -1.26 -4.99 113.62 105.61 1uhu n SER 99 Ca -0.24 0.80 -0.09 0.00 -0.26 0.00 0.00 58.87 59.08 1uhu n SER 99 Cb 0.64 -1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 1uhu n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uhu s GLY 100 N -1.02 0.26 0.20 5.00 0.00 -1.26 -5.15 107.32 105.36 1uhu s GLY 100 Ca 0.62 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1uhu s GLY 100 CO 0.60 -0.69 1.11 2.56 0.00 0.00 0.00 173.10 176.68 1uhu s PRO 101 N -3.92 4.60 -0.12 2.90 0.04 -1.26 -5.01 135.00 132.23 1uhu s PRO 101 Ca 0.13 1.75 -0.33 0.00 0.04 0.00 0.00 61.00 62.59 1uhu s PRO 101 Cb 0.03 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.44 1uhu s PRO 101 CO -0.03 0.10 1.22 0.45 0.04 0.00 0.00 177.00 178.77 1uhu s SER 102 N -0.28 -0.12 0.60 6.66 0.15 -1.26 -5.16 113.70 114.30 1uhu s SER 102 Ca 0.48 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1uhu s SER 102 Cb -0.30 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1uhu s SER 102 CO 0.36 -0.29 0.00 -0.24 1.20 0.00 0.00 173.24 174.28 1uhu n SER 103 N -0.23 -8.09 0.00 5.45 2.88 -1.26 -5.31 113.62 107.05 1uhu n SER 103 Ca -0.03 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.19 1uhu n SER 103 Cb 0.60 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1uhu n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42