#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhw s SER 2 N 0.00 -0.43 0.03 1.61 0.15 -1.26 -5.18 113.70 108.62 1uhw s SER 2 Ca 0.00 -0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.19 1uhw s SER 2 Cb 0.00 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 1uhw s SER 2 CO 0.00 -0.98 0.64 -0.44 1.20 0.00 0.00 173.24 173.66 1uhw s SER 3 N -2.79 -0.61 0.00 5.45 0.01 -1.26 -5.08 113.70 109.42 1uhw s SER 3 Ca 0.03 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1uhw s SER 3 Cb -0.01 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1uhw s SER 3 CO -0.10 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1uhw n GLY 4 N 0.41 3.87 2.76 3.44 0.00 -1.26 -5.08 105.19 109.32 1uhw n GLY 4 Ca -0.18 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1uhw n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uhw n SER 5 N 0.00 -5.08 -4.59 1.61 7.64 -1.26 -3.89 113.62 108.05 1uhw n SER 5 Ca 0.00 1.26 -0.42 0.00 1.01 0.00 0.00 58.87 60.72 1uhw n SER 5 Cb 0.00 -4.60 -0.03 0.00 -1.01 0.00 0.00 64.21 58.58 1uhw n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uhw s SER 6 N -1.08 5.66 0.00 6.43 0.15 -1.26 -2.47 113.70 121.12 1uhw s SER 6 Ca -0.11 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1uhw s SER 6 Cb 0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1uhw s SER 6 CO 0.64 -1.92 0.00 0.61 1.20 0.00 0.00 173.24 173.77 1uhw n GLY 7 N 5.53 2.49 0.38 9.45 0.00 -1.26 -4.90 105.19 116.88 1uhw n GLY 7 Ca 0.24 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1uhw n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uhw h LEU 8 N 0.00 -0.80 0.00 0.99 3.38 -1.86 -2.34 115.31 114.68 1uhw h LEU 8 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1uhw h LEU 8 Cb 0.00 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uhw h LEU 8 CO 0.00 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.58 1uhw n GLY 9 N -1.49 -2.67 0.32 0.83 0.00 -1.03 0.21 105.19 101.36 1uhw n GLY 9 Ca -0.14 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.49 1uhw n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhw h ALA 10 N -1.04 0.86 0.43 4.61 0.00 -1.82 0.68 119.26 122.98 1uhw h ALA 10 Ca 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1uhw h ALA 10 Cb 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1uhw h ALA 10 CO 0.00 -0.46 -0.33 1.25 0.00 0.00 0.00 179.25 179.71 1uhw h LEU 11 N 0.03 -0.86 -0.54 0.00 5.85 0.70 -1.98 115.31 118.52 1uhw h LEU 11 Ca 0.49 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.37 1uhw h LEU 11 Cb 0.88 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1uhw h LEU 11 CO -0.85 -0.49 0.06 0.22 -0.34 0.00 0.00 178.44 177.03 1uhw h TYR 12 N -0.75 0.07 -0.99 1.25 3.20 0.64 0.14 116.97 120.53 1uhw h TYR 12 Ca -0.04 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.08 1uhw h TYR 12 Cb 0.64 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 38.85 1uhw h TYR 12 CO -0.15 -0.07 0.59 -0.07 -1.64 0.00 0.00 178.16 176.82 1uhw h LEU 13 N 0.18 0.71 -0.09 2.82 3.38 0.50 0.11 115.31 122.91 1uhw h LEU 13 Ca 0.27 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1uhw h LEU 13 Cb 0.41 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1uhw h LEU 13 CO -0.40 0.19 0.01 0.28 0.09 0.00 0.00 178.44 178.60 1uhw h SER 14 N 0.66 0.15 -0.61 -0.43 0.02 -0.01 -2.49 113.55 110.84 1uhw h SER 14 Ca 0.61 -0.28 0.18 0.00 -0.84 0.00 0.00 61.79 61.45 1uhw h SER 14 Cb 1.04 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1uhw h SER 14 CO -0.43 0.40 0.80 0.24 -1.14 0.00 0.00 176.83 176.70 1uhw h MET 15 N -0.10 0.00 -0.36 3.45 2.86 0.31 1.40 114.93 122.49 1uhw h MET 15 Ca 0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 1uhw h MET 15 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1uhw h MET 15 CO 0.00 0.00 -0.41 0.87 1.06 0.00 0.00 176.91 178.43 1uhw h LYS 16 N 0.00 0.91 -6.05 1.72 1.57 -1.04 -2.66 116.57 111.02 1uhw h LYS 16 Ca 0.29 -0.49 -0.60 0.00 -1.87 0.00 0.00 60.65 57.97 1uhw h LYS 16 Cb 1.89 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1uhw h LYS 16 CO -0.00 1.14 1.41 -3.47 -0.57 0.00 0.00 179.45 177.96 1uhw n ASP 17 N -4.05 3.14 0.00 0.86 2.03 0.48 -4.79 116.55 114.23 1uhw n ASP 17 Ca -0.02 0.40 0.12 0.00 0.52 0.00 0.00 54.79 55.80 1uhw n ASP 17 Cb 0.56 -1.47 0.69 0.00 -0.72 0.00 0.00 41.12 40.18 1uhw n ASP 17 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1uhw n PRO 18 N 8.30 0.69 0.00 -0.67 -0.04 -1.25 0.10 135.00 142.14 1uhw n PRO 18 Ca 0.31 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1uhw n PRO 18 Cb 0.38 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1uhw n PRO 18 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uhw n GLU 19 N -1.04 0.08 -0.62 0.54 1.02 -1.26 -4.70 120.64 114.66 1uhw n GLU 19 Ca 0.17 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.43 1uhw n GLU 19 Cb 0.10 -0.64 0.34 0.00 -0.02 0.00 0.00 31.44 31.21 1uhw n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uhw n LYS 20 N -3.41 3.72 0.00 3.49 5.02 -1.24 -4.93 118.16 120.81 1uhw n LYS 20 Ca -0.05 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 1uhw n LYS 20 Cb 0.32 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1uhw n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uhw n GLY 21 N 0.98 5.13 3.69 0.72 0.00 0.29 -4.82 105.19 111.17 1uhw n GLY 21 Ca 0.24 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1uhw n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uhw s ILE 22 N -0.36 2.33 0.00 -0.61 1.01 -1.00 -4.69 121.20 117.88 1uhw s ILE 22 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1uhw s ILE 22 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1uhw s ILE 22 CO 0.00 -0.14 0.00 2.29 0.00 0.00 0.00 174.94 177.09 1uhw n LYS 23 N -4.07 1.38 -3.76 2.79 0.00 -1.26 -3.75 118.16 109.49 1uhw n LYS 23 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.23 1uhw n LYS 23 Cb 0.56 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.44 1uhw n LYS 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1uhw s GLU 24 N -1.96 0.03 0.13 -1.58 2.02 -1.26 -4.83 118.70 111.24 1uhw s GLU 24 Ca 0.00 0.29 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 1uhw s GLU 24 Cb 0.00 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.97 1uhw s GLU 24 CO 0.00 -0.17 0.04 -0.51 0.02 0.00 0.00 175.26 174.64 1uhw s LEU 25 N 1.14 1.89 0.22 1.80 1.43 -1.13 -4.90 118.68 119.13 1uhw s LEU 25 Ca -0.09 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1uhw s LEU 25 Cb -0.12 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 1uhw s LEU 25 CO -0.05 -0.69 0.56 0.54 0.23 0.00 0.00 176.35 176.94 1uhw s ASN 26 N -3.06 6.66 -0.28 2.29 2.20 -1.26 -2.41 114.94 119.08 1uhw s ASN 26 Ca 0.23 0.96 -0.03 0.00 -0.94 0.00 0.00 52.86 53.08 1uhw s ASN 26 Cb 0.07 -2.24 0.11 0.00 -2.00 0.00 0.00 41.25 37.19 1uhw s ASN 26 CO 0.01 -0.05 0.20 -0.76 -2.94 0.00 0.00 177.10 173.56 1uhw s LEU 27 N -2.69 0.19 -0.17 3.54 1.43 -1.10 -4.99 118.68 114.89 1uhw s LEU 27 Ca 0.46 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1uhw s LEU 27 Cb -0.12 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1uhw s LEU 27 CO 0.21 -0.41 -0.02 -0.70 0.23 0.00 0.00 176.35 175.65 1uhw s GLU 28 N 2.22 3.67 -0.15 1.70 2.12 -1.26 -1.67 118.70 125.33 1uhw s GLU 28 Ca 0.09 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 1uhw s GLU 28 Cb -0.15 -2.99 0.05 0.00 0.26 0.00 0.00 34.13 31.30 1uhw s GLU 28 CO -0.34 0.17 0.50 0.21 -0.54 0.00 0.00 175.26 175.26 1uhw s LYS 29 N 0.57 0.66 0.00 4.30 2.20 -0.98 -4.95 119.74 121.54 1uhw s LYS 29 Ca -0.02 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1uhw s LYS 29 Cb -0.14 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1uhw s LYS 29 CO 0.02 -0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.43 1uhw n ASP 30 N 2.35 0.00 0.00 1.43 2.03 -1.26 -3.10 116.55 118.00 1uhw n ASP 30 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1uhw n ASP 30 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1uhw n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uhw n LYS 31 N 0.00 0.00 -3.49 -0.67 5.02 -1.26 -5.14 118.16 112.62 1uhw n LYS 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1uhw n LYS 31 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1uhw n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uhw s LYS 32 N 0.00 0.28 -0.38 1.97 1.02 -1.18 -5.13 119.74 116.31 1uhw s LYS 32 Ca 0.00 0.59 -0.10 0.00 0.02 0.00 0.00 55.97 56.49 1uhw s LYS 32 Cb 0.00 0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1uhw s LYS 32 CO 0.00 -0.08 0.21 0.54 -0.92 0.00 0.00 175.35 175.10 1uhw s VAL 33 N 1.92 4.38 -0.61 3.17 0.11 -1.26 -2.31 120.40 125.79 1uhw s VAL 33 Ca -0.05 -1.05 -0.23 0.00 -2.93 0.00 0.00 61.98 57.71 1uhw s VAL 33 Cb -0.04 -3.52 0.06 0.00 -1.53 0.00 0.00 36.38 31.35 1uhw s VAL 33 CO -0.16 -0.31 0.95 -0.36 -3.33 0.00 0.00 175.10 171.89 1uhw s PHE 34 N 1.50 2.72 0.42 1.54 0.08 -0.67 -4.89 117.98 118.69 1uhw s PHE 34 Ca 0.02 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 1uhw s PHE 34 Cb -0.20 -4.19 -0.09 0.00 -0.57 0.00 0.00 43.02 37.97 1uhw s PHE 34 CO 0.05 -1.53 1.02 -0.80 -0.10 0.00 0.00 175.22 173.86 1uhw s ASN 35 N 3.33 6.73 -0.69 1.36 -0.87 -1.26 -2.70 114.94 120.84 1uhw s ASN 35 Ca 0.25 1.92 -0.05 0.00 -1.57 0.00 0.00 52.86 53.41 1uhw s ASN 35 Cb -0.15 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.52 1uhw s ASN 35 CO 0.14 -0.51 0.66 1.41 -2.57 0.00 0.00 177.10 176.23 1uhw n HIS 36 N -0.38 -2.91 -4.11 2.20 8.25 -1.23 -1.64 115.22 115.40 1uhw n HIS 36 Ca 0.06 1.14 -0.10 0.00 -0.26 0.00 0.00 57.72 58.56 1uhw n HIS 36 Cb 0.51 -3.78 -0.09 0.00 1.12 0.00 0.00 29.99 27.75 1uhw n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uhw n LEU 38 N -0.18 0.00 -3.64 0.00 4.77 0.17 -2.84 117.00 115.29 1uhw n LEU 38 Ca -0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 1uhw n LEU 38 Cb 0.64 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1uhw n LEU 38 CO 0.29 0.00 0.33 0.42 -1.33 0.00 0.00 177.39 177.10 1uhw s THR 39 N 2.06 -0.00 0.31 -5.08 -4.23 -1.26 -3.84 115.64 103.61 1uhw s THR 39 Ca 0.00 0.01 0.16 0.00 -1.18 0.00 0.00 61.69 60.68 1uhw s THR 39 Cb 0.00 -0.97 0.31 0.00 1.34 0.00 0.00 72.50 73.17 1uhw s THR 39 CO 0.00 0.00 1.35 0.61 -0.54 0.00 0.00 174.62 176.04 1uhw n GLY 40 N 4.29 -0.70 0.13 3.99 0.00 0.25 0.19 105.19 113.34 1uhw n GLY 40 Ca -0.20 0.71 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 1uhw n GLY 40 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uhw h SER 41 N 0.00 0.51 -0.73 1.61 0.87 -1.44 -3.29 113.55 111.09 1uhw h SER 41 Ca 0.70 -0.87 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1uhw h SER 41 Cb 1.82 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.58 1uhw h SER 41 CO -0.67 1.33 0.44 1.23 -0.53 0.00 0.00 176.83 178.63 1uhw h GLY 42 N -0.24 1.05 -0.15 5.77 0.00 0.17 0.89 103.07 110.56 1uhw h GLY 42 Ca -0.12 -0.44 0.18 0.00 0.00 0.00 0.00 47.33 46.95 1uhw h GLY 42 CO 0.14 0.42 0.20 -2.08 0.00 0.00 0.00 176.54 175.22 1uhw h VAL 43 N 0.99 0.47 -0.09 4.60 2.07 0.17 0.17 116.25 124.64 1uhw h VAL 43 Ca 0.26 -0.09 -0.22 0.00 0.82 0.00 0.00 66.70 67.47 1uhw h VAL 43 Cb -0.04 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1uhw h VAL 43 CO -0.05 0.05 -0.79 0.40 0.02 0.00 0.00 177.57 177.20 1uhw h ILE 44 N 0.27 1.31 -0.89 4.57 2.04 -1.48 -3.13 117.51 120.19 1uhw h ILE 44 Ca 0.45 -2.03 0.21 0.00 1.00 0.00 0.00 64.86 64.48 1uhw h ILE 44 Cb 0.80 2.19 -0.16 0.00 -0.74 0.00 0.00 36.82 38.90 1uhw h ILE 44 CO -0.54 0.63 -0.07 -0.78 0.00 0.00 0.00 178.15 177.39 1uhw h ASP 45 N 0.37 -0.57 0.84 1.72 3.58 0.18 0.96 116.42 123.51 1uhw h ASP 45 Ca -0.07 0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1uhw h ASP 45 Cb 1.44 0.47 0.01 0.00 1.72 0.00 0.00 39.33 42.97 1uhw h ASP 45 CO 0.16 -0.28 -0.41 -0.25 -2.88 0.00 0.00 179.24 175.58 1uhw h TRP 46 N 0.04 -1.05 -0.76 0.28 7.01 -1.20 1.52 115.95 121.79 1uhw h TRP 46 Ca 0.49 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.63 1uhw h TRP 46 Cb 0.88 0.35 -0.14 0.00 -2.10 0.00 0.00 29.16 28.15 1uhw h TRP 46 CO -0.55 -0.65 -0.07 -0.07 -2.79 0.00 0.00 178.44 174.30 1uhw h LEU 47 N -1.14 -0.50 -0.88 0.65 3.38 -0.40 1.88 115.31 118.30 1uhw h LEU 47 Ca -0.12 0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1uhw h LEU 47 Cb 0.87 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1uhw h LEU 47 CO 0.19 -0.22 -0.33 0.58 0.09 0.00 0.00 178.44 178.75 1uhw h VAL 48 N 0.05 1.29 -0.15 1.22 2.07 0.11 2.02 116.25 122.86 1uhw h VAL 48 Ca 0.40 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1uhw h VAL 48 Cb 0.67 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1uhw h VAL 48 CO -0.72 0.44 -0.02 0.28 0.02 0.00 0.00 177.57 177.58 1uhw h SER 49 N 0.37 0.27 1.55 0.57 0.02 1.06 -2.84 113.55 114.54 1uhw h SER 49 Ca 0.04 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1uhw h SER 49 Cb 0.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1uhw h SER 49 CO 0.06 0.54 -0.15 -0.55 -1.14 0.00 0.00 176.83 175.59 1uhw h ASN 50 N -0.01 0.00 -1.15 3.07 7.08 0.25 -3.47 115.58 121.35 1uhw h ASN 50 Ca 0.04 -0.03 -0.06 0.00 -3.08 0.00 0.00 56.30 53.17 1uhw h ASN 50 Cb 0.41 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.66 1uhw h ASN 50 CO 0.01 0.01 -0.10 0.29 -2.08 0.00 0.00 177.43 175.57 1uhw n LYS 51 N -2.57 -0.79 0.30 4.14 4.76 0.54 -4.91 118.16 119.64 1uhw n LYS 51 Ca 0.04 0.14 0.19 0.00 -2.87 0.00 0.00 58.31 55.81 1uhw n LYS 51 Cb 0.48 -3.41 0.93 0.00 -1.84 0.00 0.00 35.03 31.18 1uhw n LYS 51 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1uhw h LEU 52 N -0.23 0.00 0.00 -0.35 3.38 0.21 -3.44 115.31 114.89 1uhw h LEU 52 Ca -0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 1uhw h LEU 52 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1uhw h LEU 52 CO 0.09 0.03 -0.18 1.33 0.09 0.00 0.00 178.44 179.80 1uhw n VAL 53 N -3.23 0.00 0.01 1.22 0.24 -1.25 -5.05 118.33 110.27 1uhw n VAL 53 Ca -0.02 -0.89 -0.04 0.00 -2.04 0.00 0.00 64.34 61.36 1uhw n VAL 53 Cb 0.19 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 1uhw n VAL 53 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1uhw h ARG 54 N 0.00 0.00 0.00 7.34 2.47 -1.94 -3.47 114.38 118.77 1uhw h ARG 54 Ca -0.12 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1uhw h ARG 54 Cb 0.46 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1uhw h ARG 54 CO 0.20 0.39 0.33 0.27 0.56 0.00 0.00 179.97 181.72 1uhw n ASN 55 N -2.97 -1.77 -0.27 7.04 0.23 -1.26 -5.03 115.26 111.23 1uhw n ASN 55 Ca -0.12 -2.14 -0.02 0.00 -0.53 0.00 0.00 54.58 51.77 1uhw n ASN 55 Cb 0.93 2.93 0.15 0.00 -2.08 0.00 0.00 39.78 41.71 1uhw n ASN 55 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1uhw h ARG 56 N 0.00 1.11 -0.10 -3.83 2.47 -1.95 -3.08 114.38 109.00 1uhw h ARG 56 Ca -0.26 -0.12 0.02 0.00 -1.26 0.00 0.00 59.98 58.35 1uhw h ARG 56 Cb 1.03 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 1uhw h ARG 56 CO 0.34 0.81 -0.27 0.37 0.56 0.00 0.00 179.97 181.79 1uhw h GLN 57 N 1.12 -0.25 -0.95 0.04 -0.00 -2.00 -0.71 115.11 112.37 1uhw h GLN 57 Ca 0.28 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 59.14 1uhw h GLN 57 Cb 0.02 0.06 -0.18 0.00 0.00 0.00 0.00 27.48 27.38 1uhw h GLN 57 CO -0.05 -0.16 -0.23 0.93 0.00 0.00 0.00 178.83 179.32 1uhw h GLU 58 N -0.26 0.00 -0.93 1.69 5.08 -1.95 1.53 114.58 119.74 1uhw h GLU 58 Ca 0.02 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1uhw h GLU 58 Cb 0.32 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 1uhw h GLU 58 CO -0.23 0.00 0.59 0.78 -1.00 0.00 0.00 179.01 179.15 1uhw h GLY 59 N 0.00 1.35 0.95 -3.84 0.00 -1.17 0.72 103.07 101.09 1uhw h GLY 59 Ca 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1uhw h GLY 59 CO -0.98 0.09 -0.11 -2.00 0.00 0.00 0.00 176.54 173.54 1uhw h LEU 60 N 0.76 -0.27 -0.09 3.11 7.12 0.35 1.59 115.31 127.88 1uhw h LEU 60 Ca 0.47 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.48 1uhw h LEU 60 Cb 0.70 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1uhw h LEU 60 CO -0.24 -0.18 -0.01 0.24 -0.13 0.00 0.00 178.44 178.12 1uhw h MET 61 N -0.29 0.17 0.31 1.25 0.00 -0.58 -3.03 114.93 112.75 1uhw h MET 61 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 59.70 59.61 1uhw h MET 61 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 31.60 31.83 1uhw h MET 61 CO 0.02 0.45 -0.15 0.82 0.00 0.00 0.00 176.91 178.05 1uhw h ILE 62 N -0.14 0.70 -0.95 -1.22 1.08 0.51 -2.26 117.51 115.23 1uhw h ILE 62 Ca 0.02 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.83 1uhw h ILE 62 Cb 0.38 0.70 -0.17 0.00 -3.07 0.00 0.00 36.82 34.66 1uhw h ILE 62 CO 0.01 0.00 0.30 -1.20 -0.69 0.00 0.00 178.15 176.56 1uhw n SER 63 N -5.27 0.14 0.04 1.72 7.64 0.54 0.19 113.62 118.63 1uhw n SER 63 Ca -0.10 1.59 -0.11 0.00 1.01 0.00 0.00 58.87 61.26 1uhw n SER 63 Cb 0.18 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 1uhw n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uhw h ALA 64 N 1.89 -0.06 -0.95 -0.43 0.00 -1.29 0.12 119.26 118.55 1uhw h ALA 64 Ca 0.71 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.81 1uhw h ALA 64 Cb 1.72 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 1uhw h ALA 64 CO -0.80 -0.56 0.60 1.03 0.00 0.00 0.00 179.25 179.53 1uhw h SER 65 N -0.11 0.62 0.36 0.00 0.87 0.23 1.07 113.55 116.59 1uhw h SER 65 Ca 0.03 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1uhw h SER 65 Cb 0.15 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1uhw h SER 65 CO -0.08 0.26 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.23 1uhw h LEU 66 N 0.63 -0.41 0.67 2.23 3.38 -0.08 -2.33 115.31 119.40 1uhw h LEU 66 Ca 0.51 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1uhw h LEU 66 Cb 0.95 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1uhw h LEU 66 CO -0.26 -0.02 -0.49 0.25 0.09 0.00 0.00 178.44 178.01 1uhw h LEU 67 N -0.89 -1.28 -0.46 1.67 7.12 0.29 -1.31 115.31 120.45 1uhw h LEU 67 Ca -0.05 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1uhw h LEU 67 Cb 0.54 0.39 -0.06 0.00 -0.53 0.00 0.00 40.66 41.01 1uhw h LEU 67 CO 0.08 -0.71 -0.27 -0.24 -0.13 0.00 0.00 178.44 177.17 1uhw n SER 68 N -5.50 -0.49 -0.32 1.25 2.88 0.36 0.19 113.62 111.99 1uhw n SER 68 Ca -0.13 1.25 0.30 0.00 -1.33 0.00 0.00 58.87 58.95 1uhw n SER 68 Cb 0.48 -0.32 0.56 0.00 -0.75 0.00 0.00 64.21 64.18 1uhw n SER 68 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1uhw h GLU 69 N 0.00 0.06 0.00 -1.46 4.39 -1.30 -3.44 114.58 112.84 1uhw h GLU 69 Ca 0.07 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1uhw h GLU 69 Cb 0.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1uhw h GLU 69 CO -0.44 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 177.87 1uhw n GLY 70 N -1.27 1.86 0.15 -3.84 0.00 0.51 -5.01 105.19 97.57 1uhw n GLY 70 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.44 1uhw n GLY 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1uhw h TYR 71 N 0.00 0.00 -3.21 1.61 0.05 -1.29 -3.43 116.97 110.70 1uhw h TYR 71 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 1uhw h TYR 71 Cb 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 37.41 1uhw h TYR 71 CO 0.00 0.33 -0.85 -0.51 -1.05 0.00 0.00 178.16 176.08 1uhw s LEU 72 N -6.16 2.21 -0.23 3.88 2.01 -1.26 -4.09 118.68 115.05 1uhw s LEU 72 Ca 0.03 -0.57 -0.14 0.00 0.01 0.00 0.00 54.13 53.46 1uhw s LEU 72 Cb 0.07 -1.48 -0.04 0.00 0.01 0.00 0.00 46.19 44.75 1uhw s LEU 72 CO 0.74 0.08 0.31 -1.10 1.01 0.00 0.00 176.35 177.39 1uhw s GLN 73 N 0.84 4.11 0.11 1.70 -1.52 0.83 -4.79 119.66 120.95 1uhw s GLN 73 Ca -0.06 0.01 -0.30 0.00 -1.95 0.00 0.00 55.36 53.06 1uhw s GLN 73 Cb -0.15 -3.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.01 1uhw s GLN 73 CO -0.02 -0.05 1.14 -1.25 -0.25 0.00 0.00 175.29 174.86 1uhw s PRO 74 N 1.36 4.51 -0.07 2.91 0.04 -1.26 -1.44 135.00 141.05 1uhw s PRO 74 Ca 0.14 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 1uhw s PRO 74 Cb -0.15 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1uhw s PRO 74 CO 0.07 -0.09 -0.04 0.00 0.04 0.00 0.00 177.00 176.98 1uhw s ALA 75 N 0.44 0.87 0.00 8.56 0.00 -1.15 -4.88 121.76 125.61 1uhw s ALA 75 Ca 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1uhw s ALA 75 Cb -0.29 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1uhw s ALA 75 CO 0.32 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1uhw n GLY 76 N 4.64 1.01 2.05 0.00 0.00 -1.26 -4.46 105.19 107.17 1uhw n GLY 76 Ca -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1uhw n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uhw n ASP 77 N 0.00 -0.87 0.00 1.61 2.03 -1.26 -4.89 116.55 113.17 1uhw n ASP 77 Ca 0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1uhw n ASP 77 Cb 0.00 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 1uhw n ASP 77 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1uhw n LEU 78 N -2.76 0.00 -0.32 -2.67 0.00 -1.26 -0.72 117.00 109.27 1uhw n LEU 78 Ca 0.00 0.91 0.28 0.00 0.00 0.00 0.00 56.01 57.20 1uhw n LEU 78 Cb 0.00 -0.41 0.53 0.00 0.00 0.00 0.00 43.42 43.54 1uhw n LEU 78 CO 0.00 -0.41 1.00 -0.24 0.00 0.00 0.00 177.39 177.74 1uhw n SER 79 N -2.07 0.25 0.28 1.96 2.88 -1.26 0.30 113.62 115.96 1uhw n SER 79 Ca 0.00 1.65 -0.15 0.00 -1.33 0.00 0.00 58.87 59.04 1uhw n SER 79 Cb 0.00 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 62.62 1uhw n SER 79 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1uhw h LYS 80 N 0.00 -0.84 -0.85 -1.46 1.57 -1.65 -1.98 116.57 111.36 1uhw h LYS 80 Ca 0.79 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.81 1uhw h LYS 80 Cb 2.03 0.19 -0.16 0.00 0.08 0.00 0.00 32.23 34.37 1uhw h LYS 80 CO -0.80 -0.56 -0.14 -0.91 -0.57 0.00 0.00 179.45 176.48 1uhw h ASN 81 N -0.87 -0.66 -0.55 0.86 2.35 0.21 0.48 115.58 117.39 1uhw h ASN 81 Ca -0.06 0.25 0.10 0.00 -0.55 0.00 0.00 56.30 56.03 1uhw h ASN 81 Cb 0.73 0.48 -0.11 0.00 0.05 0.00 0.00 38.32 39.48 1uhw h ASN 81 CO 0.00 -0.27 -0.31 0.00 -1.65 0.00 0.00 177.43 175.20 1uhw h ALA 82 N 1.84 -0.02 -0.86 -0.83 0.00 -0.74 -0.10 119.26 118.54 1uhw h ALA 82 Ca 0.43 0.16 -0.74 0.00 0.00 0.00 0.00 54.91 54.77 1uhw h ALA 82 Cb 0.73 0.73 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 1uhw h ALA 82 CO -0.84 -0.66 1.61 0.00 0.00 0.00 0.00 179.25 179.36 1uhw n ALA 83 N -3.10 6.51 0.15 0.00 0.00 0.16 -3.99 120.51 120.24 1uhw n ALA 83 Ca 0.04 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1uhw n ALA 83 Cb 0.35 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1uhw n ALA 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1uhw n ASP 84 N 0.85 -0.78 -1.16 0.00 -0.08 -0.07 -4.92 116.55 110.39 1uhw n ASP 84 Ca 0.55 0.54 -0.00 0.00 -1.51 0.00 0.00 54.79 54.37 1uhw n ASP 84 Cb 0.29 0.93 0.00 0.00 2.34 0.00 0.00 41.12 44.68 1uhw n ASP 84 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uhw n GLY 85 N 1.05 -0.66 0.00 0.27 0.00 -1.12 -5.06 105.19 99.67 1uhw n GLY 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1uhw n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1uhw n ILE 86 N -0.06 0.00 -0.93 -0.61 2.08 -1.22 -5.04 119.36 113.57 1uhw n ILE 86 Ca -0.01 0.82 0.00 0.00 0.56 0.00 0.00 62.75 64.12 1uhw n ILE 86 Cb 0.43 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 1uhw n ILE 86 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uhw n ALA 87 N -1.41 0.00 0.77 -1.39 0.00 -1.26 -5.01 120.51 112.21 1uhw n ALA 87 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1uhw n ALA 87 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1uhw n ALA 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1uhw n GLU 88 N 0.00 1.98 -3.82 0.00 0.00 -1.26 -4.68 120.64 112.87 1uhw n GLU 88 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 57.16 55.36 1uhw n GLU 88 Cb 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 31.44 29.91 1uhw n GLU 88 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1uhw s ASN 89 N -1.24 3.83 0.34 4.31 3.84 -1.26 -4.97 114.94 119.79 1uhw s ASN 89 Ca 0.31 -1.41 0.18 0.00 0.21 0.00 0.00 52.86 52.15 1uhw s ASN 89 Cb 0.17 -0.97 0.47 0.00 -0.55 0.00 0.00 41.25 40.37 1uhw s ASN 89 CO 0.23 -0.34 1.63 1.55 -2.79 0.00 0.00 177.10 177.38 1uhw h PRO 90 N 8.04 0.00 -6.06 0.43 0.13 -1.84 -3.44 132.00 129.25 1uhw h PRO 90 Ca -0.14 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.39 1uhw h PRO 90 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1uhw h PRO 90 CO 0.43 0.43 -0.17 0.12 -0.23 0.00 0.00 178.00 178.58 1uhw s PHE 91 N -3.37 3.74 -0.23 1.56 2.19 -1.26 -3.44 117.98 117.17 1uhw s PHE 91 Ca 0.01 1.04 0.01 0.00 0.33 0.00 0.00 56.93 58.33 1uhw s PHE 91 Cb 0.10 -2.33 0.04 0.00 -1.31 0.00 0.00 43.02 39.52 1uhw s PHE 91 CO 0.71 0.63 -0.13 -0.51 1.83 0.00 0.00 175.22 177.75 1uhw s LEU 92 N -1.13 2.91 -0.77 6.12 1.43 -1.26 -4.95 118.68 121.04 1uhw s LEU 92 Ca 0.25 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1uhw s LEU 92 Cb -0.17 -1.56 -0.13 0.00 0.03 0.00 0.00 46.19 44.36 1uhw s LEU 92 CO 0.15 -0.11 1.94 -0.67 0.23 0.00 0.00 176.35 177.89 1uhw n ASP 93 N 4.56 3.06 -3.94 2.29 2.03 -1.26 -4.31 116.55 118.98 1uhw n ASP 93 Ca -0.17 -2.56 -0.10 0.00 0.52 0.00 0.00 54.79 52.48 1uhw n ASP 93 Cb 0.46 -1.08 -0.11 0.00 -0.72 0.00 0.00 41.12 39.68 1uhw n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1uhw s SER 94 N 4.62 0.17 0.00 1.67 0.15 -1.26 -4.70 113.70 114.34 1uhw s SER 94 Ca 0.51 -0.38 0.23 0.00 0.70 0.00 0.00 55.95 57.01 1uhw s SER 94 Cb 0.13 0.12 1.25 0.00 -1.71 0.00 0.00 66.02 65.81 1uhw s SER 94 CO 0.08 -0.29 1.76 -0.81 1.20 0.00 0.00 173.24 175.18 1uhw n PRO 95 N 1.70 0.49 0.09 5.44 -0.04 -1.26 -1.45 135.00 139.96 1uhw n PRO 95 Ca -0.23 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1uhw n PRO 95 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 1uhw n PRO 95 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1uhw h ASP 96 N 0.00 0.65 -2.63 3.54 5.19 -1.95 -3.45 116.42 117.77 1uhw h ASP 96 Ca 0.00 -0.92 -0.55 0.00 -0.62 0.00 0.00 57.03 54.94 1uhw h ASP 96 Cb 0.13 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1uhw h ASP 96 CO 0.00 1.67 1.08 0.00 -3.12 0.00 0.00 179.24 178.87 1uhw s ALA 97 N -2.55 3.60 -0.10 3.45 0.00 -1.12 -4.90 121.76 120.14 1uhw s ALA 97 Ca -0.14 0.88 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1uhw s ALA 97 Cb 0.04 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1uhw s ALA 97 CO 0.87 -1.42 0.01 -0.06 0.00 0.00 0.00 175.76 175.16 1uhw s PHE 98 N 4.09 3.18 0.01 0.00 0.08 -1.26 0.88 117.98 124.96 1uhw s PHE 98 Ca 0.72 0.16 -0.00 0.00 0.12 0.00 0.00 56.93 57.93 1uhw s PHE 98 Cb -0.32 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1uhw s PHE 98 CO 0.28 0.42 -0.01 0.71 -0.10 0.00 0.00 175.22 176.53 1uhw s TYR 99 N -0.69 0.13 0.01 0.36 2.02 -1.25 -2.93 117.35 115.00 1uhw s TYR 99 Ca 0.11 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1uhw s TYR 99 Cb -0.12 -0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1uhw s TYR 99 CO 0.02 -0.11 -0.01 1.52 -1.57 0.00 0.00 175.55 175.40 1uhw s TYR 100 N -0.79 0.13 0.27 2.71 -0.85 -0.52 0.46 117.35 118.75 1uhw s TYR 100 Ca -0.09 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 55.99 1uhw s TYR 100 Cb -0.05 -0.09 -0.11 0.00 0.38 0.00 0.00 41.96 42.09 1uhw s TYR 100 CO -0.00 -0.05 1.59 -0.06 -1.52 0.00 0.00 175.55 175.50 1uhw s PHE 101 N -0.45 2.83 -1.14 -3.49 0.08 -1.26 -0.12 117.98 114.44 1uhw s PHE 101 Ca -0.04 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 57.57 1uhw s PHE 101 Cb -0.03 -4.03 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 1uhw s PHE 101 CO -0.00 -3.54 2.00 -0.35 -0.10 0.00 0.00 175.22 173.23 1uhw n PRO 102 N 2.55 2.22 0.00 0.24 -0.04 -1.26 -2.45 135.00 136.26 1uhw n PRO 102 Ca 0.09 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1uhw n PRO 102 Cb 0.38 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1uhw n PRO 102 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uhw n ASP 103 N 8.16 0.00 0.00 3.54 2.03 -1.26 -5.03 116.55 123.99 1uhw n ASP 103 Ca 0.50 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1uhw n ASP 103 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1uhw n ASP 103 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1uhw n SER 104 N 0.00 0.00 0.00 1.67 2.88 -1.03 -5.06 113.62 112.08 1uhw n SER 104 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uhw n SER 104 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1uhw n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uhw n GLY 105 N 1.64 0.49 3.82 0.46 0.00 -1.07 -4.62 105.19 105.91 1uhw n GLY 105 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1uhw n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhw s PRO 106 N 0.00 3.05 -0.25 1.61 0.04 -0.65 -4.56 135.00 134.24 1uhw s PRO 106 Ca 0.00 1.00 -0.41 0.00 0.04 0.00 0.00 61.00 61.62 1uhw s PRO 106 Cb 0.00 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 1uhw s PRO 106 CO 0.00 -1.02 1.59 0.45 0.04 0.00 0.00 177.00 178.06 1uhw n SER 107 N -2.88 1.76 -0.29 6.66 2.88 -1.26 -4.80 113.62 115.68 1uhw n SER 107 Ca 0.08 1.12 0.05 0.00 -1.33 0.00 0.00 58.87 58.78 1uhw n SER 107 Cb 0.53 -1.06 0.19 0.00 -0.75 0.00 0.00 64.21 63.12 1uhw n SER 107 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1uhw h SER 108 N 5.86 0.62 0.00 -3.46 0.87 -1.90 -3.51 113.55 112.03 1uhw h SER 108 Ca -0.46 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1uhw h SER 108 Cb 1.34 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1uhw h SER 108 CO 0.91 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 178.14