#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhw n SER 2 N 0.00 -1.91 -3.61 1.61 2.88 -1.26 -5.13 113.62 106.21 1uhw n SER 2 Ca 0.00 0.51 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1uhw n SER 2 Cb 0.00 1.98 -0.01 0.00 -0.75 0.00 0.00 64.21 65.44 1uhw n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uhw s SER 3 N -2.00 -0.06 -0.03 -3.46 0.15 -1.26 -5.13 113.70 101.91 1uhw s SER 3 Ca 0.00 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1uhw s SER 3 Cb 0.00 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1uhw s SER 3 CO 0.00 -0.25 1.43 -0.83 1.20 0.00 0.00 173.24 174.79 1uhw s GLY 4 N -2.82 1.77 0.00 9.45 0.00 -1.26 -4.16 107.32 110.30 1uhw s GLY 4 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1uhw s GLY 4 CO -0.04 2.61 0.00 -1.14 0.00 0.00 0.00 173.10 174.53 1uhw n SER 5 N 5.84 0.00 -3.41 1.64 3.41 -1.26 -4.87 113.62 114.97 1uhw n SER 5 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 1uhw n SER 5 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1uhw n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uhw n SER 6 N 0.00 -6.40 0.00 4.04 7.64 -1.26 -4.40 113.62 113.24 1uhw n SER 6 Ca 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1uhw n SER 6 Cb 0.00 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1uhw n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhw n GLY 7 N -1.69 1.43 0.17 0.23 0.00 -1.26 -4.93 105.19 99.14 1uhw n GLY 7 Ca -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 0.00 0.99 3.38 -1.96 -2.73 115.31 114.90 1uhw h LEU 8 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1uhw h LEU 8 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uhw h LEU 8 CO 0.00 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1uhw n GLY 9 N -1.27 -2.81 0.33 0.83 0.00 -1.26 0.24 105.19 101.24 1uhw n GLY 9 Ca 0.03 0.59 0.17 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.45 1.33 0.12 4.61 0.00 -1.95 0.98 119.26 122.91 1uhw h ALA 10 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1uhw h ALA 10 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1uhw h ALA 10 CO 0.00 -0.61 -0.16 1.25 0.00 0.00 0.00 179.25 179.72 1uhw h LEU 11 N 0.04 -0.45 -0.49 0.00 7.12 0.39 -2.36 115.31 119.56 1uhw h LEU 11 Ca 0.63 0.05 0.06 0.00 0.13 0.00 0.00 57.88 58.75 1uhw h LEU 11 Cb 1.36 0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 41.60 1uhw h LEU 11 CO -0.85 -0.24 0.19 0.22 -0.13 0.00 0.00 178.44 177.62 1uhw h TYR 12 N -0.34 0.33 -1.02 1.25 3.20 1.05 -0.37 116.97 121.08 1uhw h TYR 12 Ca 0.02 0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.17 1uhw h TYR 12 Cb 0.34 -0.08 -0.12 0.00 1.54 0.00 0.00 36.73 38.41 1uhw h TYR 12 CO -0.16 0.12 0.62 -0.07 -1.64 0.00 0.00 178.16 177.03 1uhw h LEU 13 N 0.37 0.60 0.24 2.82 4.07 -0.01 0.94 115.31 124.34 1uhw h LEU 13 Ca 0.23 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 1uhw h LEU 13 Cb 0.23 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1uhw h LEU 13 CO -0.23 0.07 -0.11 -1.28 -1.08 0.00 0.00 178.44 175.81 1uhw h SER 14 N 0.50 -0.27 -0.83 -0.43 0.87 -0.59 -2.67 113.55 110.12 1uhw h SER 14 Ca 0.65 -0.19 0.24 0.00 -1.23 0.00 0.00 61.79 61.26 1uhw h SER 14 Cb 1.38 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.37 1uhw h SER 14 CO -0.45 0.06 0.96 0.24 -0.53 0.00 0.00 176.83 177.11 1uhw h MET 15 N -0.63 0.00 -0.13 2.24 2.86 -0.24 1.05 114.93 120.07 1uhw h MET 15 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1uhw h MET 15 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1uhw h MET 15 CO 0.05 0.00 -0.01 0.87 1.06 0.00 0.00 176.91 178.88 1uhw h LYS 16 N 0.00 0.25 -6.11 1.72 1.57 -1.05 -1.95 116.57 110.99 1uhw h LYS 16 Ca 0.39 -0.09 -0.68 0.00 -1.87 0.00 0.00 60.65 58.41 1uhw h LYS 16 Cb 2.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.60 1uhw h LYS 16 CO -0.00 0.51 1.17 -3.47 -0.57 0.00 0.00 179.45 177.08 1uhw n ASP 17 N -4.75 2.51 0.00 0.86 -0.08 0.36 -4.72 116.55 110.74 1uhw n ASP 17 Ca -0.06 0.77 0.12 0.00 -1.51 0.00 0.00 54.79 54.11 1uhw n ASP 17 Cb 0.23 -1.24 0.66 0.00 2.34 0.00 0.00 41.12 43.10 1uhw n ASP 17 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1uhw n PRO 18 N 6.87 0.57 0.01 -0.67 -0.04 -1.25 0.86 135.00 141.36 1uhw n PRO 18 Ca 0.32 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.78 1uhw n PRO 18 Cb 0.21 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.12 0.07 -0.36 0.54 1.02 -1.26 -4.63 120.64 114.90 1uhw n GLU 19 Ca 0.15 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1uhw n GLU 19 Cb 0.12 -0.63 0.25 0.00 -0.02 0.00 0.00 31.44 31.17 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 -3.38 2.62 0.00 3.49 5.02 -1.25 -4.91 118.16 119.75 1uhw n LYS 20 Ca -0.05 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1uhw n LYS 20 Cb 0.32 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.14 5.26 3.76 0.72 0.00 0.25 -4.79 105.19 111.53 1uhw n GLY 21 Ca 0.18 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.18 3.14 0.84 -0.61 1.01 -0.73 -4.69 121.20 119.98 1uhw s ILE 22 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 60.65 61.03 1uhw s ILE 22 Cb 0.00 -2.93 0.17 0.00 0.01 0.00 0.00 42.46 39.71 1uhw s ILE 22 CO 0.00 -0.41 1.16 -0.54 0.00 0.00 0.00 174.94 175.15 1uhw s LYS 23 N -4.47 1.10 -0.26 2.79 1.02 -1.26 -3.79 119.74 114.87 1uhw s LYS 23 Ca 0.65 -0.89 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 1uhw s LYS 23 Cb -0.20 -2.12 0.12 0.00 -0.52 0.00 0.00 37.83 35.12 1uhw s LYS 23 CO 0.49 -1.95 0.27 -1.21 -0.92 0.00 0.00 175.35 172.03 1uhw s GLU 24 N -5.50 0.28 0.34 1.68 2.02 -1.26 -4.83 118.70 111.43 1uhw s GLU 24 Ca 0.71 0.00 0.10 0.00 0.02 0.00 0.00 54.97 55.80 1uhw s GLU 24 Cb -0.04 -0.82 -0.06 0.00 0.10 0.00 0.00 34.13 33.31 1uhw s GLU 24 CO 0.49 -0.89 -0.08 -0.51 0.02 0.00 0.00 175.26 174.29 1uhw s LEU 25 N 2.36 2.77 -0.32 1.80 1.43 -1.23 -4.76 118.68 120.74 1uhw s LEU 25 Ca 0.09 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 1uhw s LEU 25 Cb -0.15 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1uhw s LEU 25 CO -0.26 -0.19 0.20 0.54 0.23 0.00 0.00 176.35 176.87 1uhw s ASN 26 N -3.62 5.89 0.52 2.29 2.20 -1.26 -2.67 114.94 118.30 1uhw s ASN 26 Ca 0.33 -0.34 0.04 0.00 -0.94 0.00 0.00 52.86 51.95 1uhw s ASN 26 Cb 0.01 -2.09 0.02 0.00 -2.00 0.00 0.00 41.25 37.19 1uhw s ASN 26 CO 0.17 -0.17 0.27 -0.76 -2.94 0.00 0.00 177.10 173.67 1uhw s LEU 27 N 1.70 2.62 0.26 3.54 1.43 -0.07 -4.91 118.68 123.26 1uhw s LEU 27 Ca 0.06 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 51.79 1uhw s LEU 27 Cb -0.17 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1uhw s LEU 27 CO 0.09 -0.99 0.30 -1.61 0.23 0.00 0.00 176.35 174.37 1uhw s GLU 28 N -4.14 1.50 0.10 1.70 2.02 -1.26 0.02 118.70 118.64 1uhw s GLU 28 Ca 0.27 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1uhw s GLU 28 Cb -0.01 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1uhw s GLU 28 CO 0.16 -0.56 0.00 1.17 0.02 0.00 0.00 175.26 176.05 1uhw n LYS 29 N -0.41 0.00 -0.02 1.61 3.00 -1.26 -5.00 118.16 116.09 1uhw n LYS 29 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 1uhw n LYS 29 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.65 1uhw n LYS 29 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1uhw n ASP 30 N -2.78 1.20 -2.44 3.14 2.03 -1.26 -4.97 116.55 111.47 1uhw n ASP 30 Ca 0.00 0.19 -0.03 0.00 0.52 0.00 0.00 54.79 55.47 1uhw n ASP 30 Cb 0.00 -0.49 0.08 0.00 -0.72 0.00 0.00 41.12 39.99 1uhw n ASP 30 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1uhw n LYS 31 N -3.67 0.85 -3.61 -0.67 2.85 -1.26 -5.09 118.16 107.56 1uhw n LYS 31 Ca -0.06 -1.04 -0.29 0.00 -1.05 0.00 0.00 58.31 55.88 1uhw n LYS 31 Cb 0.21 0.15 -0.15 0.00 -0.65 0.00 0.00 35.03 34.59 1uhw n LYS 31 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1uhw s LYS 32 N 0.10 0.36 -0.93 -1.58 3.01 -1.26 -5.06 119.74 114.38 1uhw s LYS 32 Ca 0.10 -0.63 -0.25 0.00 -1.01 0.00 0.00 55.97 54.17 1uhw s LYS 32 Cb 0.28 -1.52 -0.11 0.00 -1.01 0.00 0.00 37.83 35.47 1uhw s LYS 32 CO -0.07 -0.95 2.13 0.08 0.51 0.00 0.00 175.35 177.04 1uhw s VAL 33 N 1.95 3.26 -0.51 3.17 1.01 -1.26 -4.35 120.40 123.66 1uhw s VAL 33 Ca 0.08 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1uhw s VAL 33 Cb -0.16 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1uhw s VAL 33 CO -0.29 -0.52 1.75 -0.36 0.00 0.00 0.00 175.10 175.69 1uhw s PHE 34 N 12.79 1.83 0.44 5.22 0.08 0.10 -4.88 117.98 133.57 1uhw s PHE 34 Ca 0.79 0.69 -0.07 0.00 0.12 0.00 0.00 56.93 58.46 1uhw s PHE 34 Cb -0.08 -4.16 -0.05 0.00 -0.57 0.00 0.00 43.02 38.17 1uhw s PHE 34 CO 0.07 -2.43 0.76 -0.80 -0.10 0.00 0.00 175.22 172.72 1uhw s ASN 35 N 6.76 6.35 -0.66 1.36 0.01 -1.26 -0.89 114.94 126.62 1uhw s ASN 35 Ca 0.68 0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 53.63 1uhw s ASN 35 Cb -0.15 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.28 1uhw s ASN 35 CO 0.26 -0.49 0.63 1.41 -1.51 0.00 0.00 177.10 177.40 1uhw n HIS 36 N -1.86 -2.43 -4.20 2.20 8.25 -1.22 -2.91 115.22 113.04 1uhw n HIS 36 Ca 0.01 1.00 -0.12 0.00 -0.26 0.00 0.00 57.72 58.35 1uhw n HIS 36 Cb 0.55 -2.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.00 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 -0.25 0.00 -3.64 0.00 4.77 0.52 -3.55 117.00 114.84 1uhw n LEU 38 Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1uhw n LEU 38 Cb 0.65 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 1uhw n LEU 38 CO 0.33 0.00 0.45 0.42 -1.33 0.00 0.00 177.39 177.26 1uhw s THR 39 N 1.42 0.00 0.26 -5.08 -4.23 -1.26 -3.70 115.64 103.05 1uhw s THR 39 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1uhw s THR 39 Cb 0.00 -1.00 0.38 0.00 1.34 0.00 0.00 72.50 73.22 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 3.36 -1.29 0.12 3.99 0.00 -0.33 0.18 105.19 111.22 1uhw n GLY 40 Ca -0.17 0.88 -0.14 0.00 0.00 0.00 0.00 46.02 46.59 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 0.31 0.03 1.61 0.87 -1.57 -3.13 113.55 111.66 1uhw h SER 41 Ca 0.48 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1uhw h SER 41 Cb 0.89 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1uhw h SER 41 CO -0.84 0.81 -0.15 1.23 -0.53 0.00 0.00 176.83 177.34 1uhw h GLY 42 N -0.18 -0.22 -0.68 5.77 0.00 0.42 0.62 103.07 108.80 1uhw h GLY 42 Ca 0.00 0.18 0.14 0.00 0.00 0.00 0.00 47.33 47.65 1uhw h GLY 42 CO 0.04 -0.15 -0.31 -2.08 0.00 0.00 0.00 176.54 174.04 1uhw h VAL 43 N -0.27 0.12 -0.24 4.60 2.07 0.18 0.34 116.25 123.04 1uhw h VAL 43 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1uhw h VAL 43 Cb 0.32 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1uhw h VAL 43 CO -0.13 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.81 1uhw h ILE 44 N -0.06 1.28 -0.97 4.57 2.04 -1.38 -2.91 117.51 120.07 1uhw h ILE 44 Ca 0.32 -1.04 0.25 0.00 1.00 0.00 0.00 64.86 65.40 1uhw h ILE 44 Cb 0.58 1.47 -0.18 0.00 -0.74 0.00 0.00 36.82 37.95 1uhw h ILE 44 CO -0.83 0.32 -0.01 -0.78 0.00 0.00 0.00 178.15 176.85 1uhw h ASP 45 N 0.21 -0.54 0.83 1.72 3.58 0.40 0.93 116.42 123.56 1uhw h ASP 45 Ca 0.06 0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.75 1uhw h ASP 45 Cb 0.50 0.50 0.01 0.00 1.72 0.00 0.00 39.33 42.06 1uhw h ASP 45 CO 0.02 -0.34 -0.40 -0.25 -2.88 0.00 0.00 179.24 175.39 1uhw h TRP 46 N 0.01 -1.03 -0.86 0.28 7.01 -0.77 1.51 115.95 122.10 1uhw h TRP 46 Ca 0.57 -0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.77 1uhw h TRP 46 Cb 1.13 0.34 -0.14 0.00 -2.10 0.00 0.00 29.16 28.39 1uhw h TRP 46 CO -0.53 -0.64 0.25 -0.07 -2.79 0.00 0.00 178.44 174.66 1uhw h LEU 47 N -1.14 0.04 -0.68 0.65 3.38 0.23 1.91 115.31 119.69 1uhw h LEU 47 Ca -0.11 0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1uhw h LEU 47 Cb 0.86 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1uhw h LEU 47 CO 0.19 -0.13 -0.64 0.58 0.09 0.00 0.00 178.44 178.53 1uhw h VAL 48 N 0.24 1.45 -0.11 1.22 2.07 0.11 1.77 116.25 122.99 1uhw h VAL 48 Ca 0.54 -2.17 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 1uhw h VAL 48 Cb 1.06 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1uhw h VAL 48 CO -0.63 0.62 -0.16 -1.28 0.02 0.00 0.00 177.57 176.15 1uhw h SER 49 N 0.04 0.33 1.63 0.57 0.87 1.28 -3.13 113.55 115.14 1uhw h SER 49 Ca -0.01 -0.52 -0.04 0.00 -1.23 0.00 0.00 61.79 59.99 1uhw h SER 49 Cb 1.14 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1uhw h SER 49 CO 0.09 0.78 -0.38 -0.55 -0.53 0.00 0.00 176.83 176.24 1uhw h ASN 50 N -0.12 0.00 -0.57 6.23 7.08 0.23 -3.48 115.58 124.95 1uhw h ASN 50 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1uhw h ASN 50 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.95 1uhw h ASN 50 CO 0.04 0.18 0.00 0.29 -2.08 0.00 0.00 177.43 175.85 1uhw n LYS 51 N -3.06 0.00 0.28 4.14 4.76 0.44 -4.93 118.16 119.79 1uhw n LYS 51 Ca 0.02 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.64 1uhw n LYS 51 Cb 0.61 -2.61 0.75 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.00 0.00 0.00 -0.35 3.38 0.18 -3.45 115.31 115.07 1uhw h LEU 52 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1uhw h LEU 52 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1uhw h LEU 52 CO 0.00 0.00 -0.13 1.33 0.09 0.00 0.00 178.44 179.73 1uhw n VAL 53 N -3.09 0.00 -0.05 1.22 0.24 -1.24 -5.04 118.33 110.37 1uhw n VAL 53 Ca 0.00 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.34 61.60 1uhw n VAL 53 Cb 0.28 0.23 -0.15 0.00 -1.47 0.00 0.00 33.84 32.74 1uhw n VAL 53 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1uhw n ARG 54 N -0.26 0.67 -3.48 7.34 5.12 -1.26 -4.91 116.66 119.87 1uhw n ARG 54 Ca -0.02 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1uhw n ARG 54 Cb 0.17 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 1uhw n ARG 54 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1uhw s ASN 55 N -5.38 -0.43 0.30 0.55 2.20 -1.26 -5.03 114.94 105.90 1uhw s ASN 55 Ca -0.08 0.00 0.02 0.00 -0.94 0.00 0.00 52.86 51.86 1uhw s ASN 55 Cb 0.08 0.45 0.74 0.00 -2.00 0.00 0.00 41.25 40.53 1uhw s ASN 55 CO 0.84 -0.73 1.58 0.03 -2.94 0.00 0.00 177.10 175.89 1uhw h ARG 56 N 2.01 0.02 -0.42 3.55 2.47 -1.95 0.91 114.38 120.98 1uhw h ARG 56 Ca -0.26 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1uhw h ARG 56 Cb 1.26 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.51 1uhw h ARG 56 CO 0.33 0.01 -0.39 0.37 0.56 0.00 0.00 179.97 180.85 1uhw h GLN 57 N 0.02 -0.18 -0.72 0.04 -0.00 -1.99 0.28 115.11 112.56 1uhw h GLN 57 Ca 0.59 0.01 0.15 0.00 -0.00 0.00 0.00 58.65 59.41 1uhw h GLN 57 Cb 1.22 0.04 -0.13 0.00 0.00 0.00 0.00 27.48 28.61 1uhw h GLN 57 CO -0.89 -0.12 -0.10 0.93 0.00 0.00 0.00 178.83 178.65 1uhw h GLU 58 N -0.19 0.04 -0.83 1.69 3.07 -1.23 0.37 114.58 117.51 1uhw h GLU 58 Ca 0.07 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1uhw h GLU 58 Cb 0.37 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.20 1uhw h GLU 58 CO -0.49 0.03 0.48 0.78 -1.40 0.00 0.00 179.01 178.41 1uhw h GLY 59 N 0.04 1.28 0.30 -3.84 0.00 -0.49 0.20 103.07 100.56 1uhw h GLY 59 Ca 0.37 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1uhw h GLY 59 CO -0.69 0.14 -0.12 -2.00 0.00 0.00 0.00 176.54 173.87 1uhw h LEU 60 N 0.81 -0.42 0.15 3.11 7.12 0.31 1.50 115.31 127.88 1uhw h LEU 60 Ca 0.40 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.51 1uhw h LEU 60 Cb 0.35 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1uhw h LEU 60 CO -0.24 -0.16 -0.07 0.24 -0.13 0.00 0.00 178.44 178.08 1uhw h MET 61 N -0.07 -0.19 -0.73 1.25 0.00 -0.71 -2.67 114.93 111.80 1uhw h MET 61 Ca 0.15 0.01 0.08 0.00 0.00 0.00 0.00 59.70 59.95 1uhw h MET 61 Cb 0.30 0.04 -0.07 0.00 0.00 0.00 0.00 31.60 31.88 1uhw h MET 61 CO -0.35 0.08 0.39 0.82 0.00 0.00 0.00 176.91 177.85 1uhw h ILE 62 N -0.46 0.89 -0.44 -1.22 1.08 -0.21 -1.36 117.51 115.80 1uhw h ILE 62 Ca -0.02 -0.23 0.09 0.00 -0.39 0.00 0.00 64.86 64.31 1uhw h ILE 62 Cb 0.36 0.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.18 1uhw h ILE 62 CO 0.03 0.12 -0.17 0.28 -0.69 0.00 0.00 178.15 177.73 1uhw h SER 63 N 0.68 -0.60 -0.52 1.72 0.02 0.22 0.13 113.55 115.20 1uhw h SER 63 Ca 0.35 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1uhw h SER 63 Cb 0.32 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1uhw h SER 63 CO -0.24 -0.21 0.22 0.00 -1.14 0.00 0.00 176.83 175.47 1uhw h ALA 64 N 1.28 0.66 -0.70 3.77 0.00 -0.93 0.31 119.26 123.65 1uhw h ALA 64 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1uhw h ALA 64 Cb 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1uhw h ALA 64 CO -0.49 -0.15 0.46 0.77 0.00 0.00 0.00 179.25 179.84 1uhw h SER 65 N 0.43 0.52 0.26 0.00 0.02 -0.16 0.76 113.55 115.39 1uhw h SER 65 Ca 0.24 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1uhw h SER 65 Cb 0.22 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1uhw h SER 65 CO -0.21 0.31 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.60 1uhw h LEU 66 N 0.58 -0.30 0.01 5.07 3.38 0.14 -2.91 115.31 121.28 1uhw h LEU 66 Ca 0.32 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1uhw h LEU 66 Cb 0.48 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1uhw h LEU 66 CO -0.11 0.20 -0.34 0.25 0.09 0.00 0.00 178.44 178.52 1uhw h LEU 67 N -0.99 -1.03 -0.30 1.67 5.85 -0.04 -1.43 115.31 119.04 1uhw h LEU 67 Ca -0.04 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1uhw h LEU 67 Cb 0.46 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1uhw h LEU 67 CO 0.06 -0.40 -0.18 -0.24 -0.34 0.00 0.00 178.44 177.34 1uhw n SER 68 N -5.42 -0.32 -0.55 1.25 2.88 0.26 0.19 113.62 111.90 1uhw n SER 68 Ca -0.05 1.23 0.44 0.00 -1.33 0.00 0.00 58.87 59.16 1uhw n SER 68 Cb 0.34 -0.42 0.74 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.03 0.00 -1.46 4.39 -1.28 -3.43 114.58 112.83 1uhw h GLU 69 Ca 0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1uhw h GLU 69 Cb 0.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1uhw h GLU 69 CO -0.28 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.00 1uhw n GLY 70 N -1.71 1.57 0.17 -3.84 0.00 0.51 -5.00 105.19 96.89 1uhw n GLY 70 Ca 0.40 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.23 1.61 0.05 -1.28 -3.43 116.97 110.69 1uhw h TYR 71 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 1uhw h TYR 71 Cb 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 37.36 1uhw h TYR 71 CO 0.00 0.00 -0.78 -0.51 -1.05 0.00 0.00 178.16 175.82 1uhw s LEU 72 N -5.44 0.94 0.02 3.88 1.43 -1.26 -4.38 118.68 113.87 1uhw s LEU 72 Ca 0.08 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1uhw s LEU 72 Cb 0.08 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.61 1uhw s LEU 72 CO 0.63 -0.17 0.45 -1.10 0.23 0.00 0.00 176.35 176.38 1uhw s GLN 73 N 1.84 3.99 0.34 1.70 -1.52 0.41 -4.70 119.66 121.72 1uhw s GLN 73 Ca 0.04 0.49 -0.27 0.00 -1.95 0.00 0.00 55.36 53.68 1uhw s GLN 73 Cb -0.13 -3.23 -0.09 0.00 -0.22 0.00 0.00 33.01 29.34 1uhw s GLN 73 CO -0.07 0.67 1.07 -1.25 -0.25 0.00 0.00 175.29 175.46 1uhw s PRO 74 N -1.06 4.39 -0.26 2.91 0.04 -1.26 -1.23 135.00 138.53 1uhw s PRO 74 Ca 0.25 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 1uhw s PRO 74 Cb -0.17 -2.84 0.08 0.00 0.04 0.00 0.00 34.50 31.60 1uhw s PRO 74 CO 0.15 0.03 0.05 0.00 0.04 0.00 0.00 177.00 177.27 1uhw s ALA 75 N -1.43 1.43 0.00 8.56 0.00 -1.07 -4.91 121.76 124.34 1uhw s ALA 75 Ca 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1uhw s ALA 75 Cb -0.26 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1uhw s ALA 75 CO 0.34 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1uhw n GLY 76 N 4.89 0.35 0.33 0.00 0.00 -1.26 -4.43 105.19 105.06 1uhw n GLY 76 Ca -0.06 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 1.88 0.00 1.61 2.03 -1.26 -4.26 116.55 116.54 1uhw n ASP 77 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1uhw n ASP 77 Cb 0.00 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 -3.34 0.00 -0.25 -2.67 0.00 -1.26 -0.21 117.00 109.27 1uhw n LEU 78 Ca -0.28 0.91 0.01 0.00 0.00 0.00 0.00 56.01 56.65 1uhw n LEU 78 Cb 0.73 -0.41 0.08 0.00 0.00 0.00 0.00 43.42 43.82 1uhw n LEU 78 CO 0.07 -0.41 0.70 0.77 0.00 0.00 0.00 177.39 178.52 1uhw h SER 79 N 0.00 -0.75 -0.56 1.96 4.64 -1.85 0.81 113.55 117.80 1uhw h SER 79 Ca 0.00 0.23 0.06 0.00 -0.47 0.00 0.00 61.79 61.61 1uhw h SER 79 Cb 0.00 0.48 -0.09 0.00 -0.31 0.00 0.00 62.40 62.47 1uhw h SER 79 CO 0.00 -0.25 -0.55 0.11 -0.87 0.00 0.00 176.83 175.27 1uhw h LYS 80 N -0.01 -0.28 -0.67 4.77 1.57 -1.52 0.42 116.57 120.86 1uhw h LYS 80 Ca 0.35 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.25 1uhw h LYS 80 Cb 0.55 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1uhw h LYS 80 CO -0.76 -0.19 0.26 -0.91 -0.57 0.00 0.00 179.45 177.28 1uhw h ASN 81 N -0.29 0.27 -0.21 0.86 2.35 0.16 -1.35 115.58 117.36 1uhw h ASN 81 Ca 0.11 0.09 0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1uhw h ASN 81 Cb 0.55 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 1uhw h ASN 81 CO -0.69 0.14 -0.36 0.00 -1.65 0.00 0.00 177.43 174.87 1uhw h ALA 82 N 1.46 -0.40 -0.62 -0.83 0.00 0.17 -1.02 119.26 118.02 1uhw h ALA 82 Ca 0.35 0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.66 1uhw h ALA 82 Cb 0.45 0.71 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1uhw h ALA 82 CO -0.33 -0.82 1.35 0.00 0.00 0.00 0.00 179.25 179.44 1uhw n ALA 83 N -2.92 6.61 0.11 0.00 0.00 0.66 -3.95 120.51 121.02 1uhw n ALA 83 Ca -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1uhw n ALA 83 Cb 0.34 -2.43 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 1.19 0.09 0.00 0.00 2.03 -0.39 -4.91 116.55 114.56 1uhw n ASP 84 Ca 0.55 0.38 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1uhw n ASP 84 Cb 0.39 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1uhw n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uhw n GLY 85 N 1.94 0.00 0.04 0.27 0.00 -1.18 -5.06 105.19 101.21 1uhw n GLY 85 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1uhw n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uhw h ILE 86 N 0.00 0.00 0.00 -0.61 1.08 -1.69 -3.50 117.51 112.80 1uhw h ILE 86 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1uhw h ILE 86 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1uhw h ILE 86 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 1uhw n ALA 87 N -2.09 0.00 0.50 1.87 0.00 -1.26 -5.01 120.51 114.52 1uhw n ALA 87 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1uhw n ALA 87 Cb 0.04 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.72 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 2.12 -3.72 0.00 0.00 -1.26 -4.72 120.64 113.05 1uhw n GLU 88 Ca 0.00 -1.73 -0.27 0.00 0.00 0.00 0.00 57.16 55.16 1uhw n GLU 88 Cb 0.00 -1.39 -0.17 0.00 0.00 0.00 0.00 31.44 29.89 1uhw n GLU 88 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1uhw s ASN 89 N -1.06 2.74 0.20 4.31 -0.87 -1.26 -5.00 114.94 114.00 1uhw s ASN 89 Ca 0.33 -0.74 0.05 0.00 -1.57 0.00 0.00 52.86 50.93 1uhw s ASN 89 Cb 0.17 -0.54 0.10 0.00 -0.02 0.00 0.00 41.25 40.96 1uhw s ASN 89 CO 0.23 -0.30 1.45 1.55 -2.57 0.00 0.00 177.10 177.46 1uhw h PRO 90 N 8.27 0.13 -6.83 -0.60 0.13 -1.85 -3.45 132.00 127.80 1uhw h PRO 90 Ca -0.16 -0.12 -0.48 0.00 -0.87 0.00 0.00 66.00 64.37 1uhw h PRO 90 Cb 1.12 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1uhw h PRO 90 CO 0.32 0.84 0.27 0.12 -0.23 0.00 0.00 178.00 179.33 1uhw s PHE 91 N -3.34 3.58 -0.23 1.56 5.36 -1.26 -3.70 117.98 119.96 1uhw s PHE 91 Ca -0.02 1.61 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1uhw s PHE 91 Cb 0.11 -2.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 1uhw s PHE 91 CO 0.81 0.17 -0.07 -0.51 -1.46 0.00 0.00 175.22 174.15 1uhw s LEU 92 N -2.34 2.59 -0.60 6.12 1.43 -1.26 -4.96 118.68 119.66 1uhw s LEU 92 Ca 0.51 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 1uhw s LEU 92 Cb -0.16 -1.24 -0.21 0.00 0.03 0.00 0.00 46.19 44.62 1uhw s LEU 92 CO 0.20 -0.20 1.85 -0.67 0.23 0.00 0.00 176.35 177.76 1uhw n ASP 93 N 4.65 2.18 -3.97 2.29 2.03 -1.26 -4.20 116.55 118.26 1uhw n ASP 93 Ca -0.13 -2.64 -0.10 0.00 0.52 0.00 0.00 54.79 52.44 1uhw n ASP 93 Cb 0.44 -0.98 -0.12 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.45 0.31 0.00 1.67 0.15 -1.26 -4.63 113.70 115.38 1uhw s SER 94 Ca 0.60 -0.40 0.22 0.00 0.70 0.00 0.00 55.95 57.07 1uhw s SER 94 Cb 0.15 0.06 1.07 0.00 -1.71 0.00 0.00 66.02 65.59 1uhw s SER 94 CO 0.17 -0.22 1.72 -0.81 1.20 0.00 0.00 173.24 175.31 1uhw n PRO 95 N 1.90 0.21 -0.06 5.44 -0.04 -1.26 -1.18 135.00 140.02 1uhw n PRO 95 Ca -0.21 0.09 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1uhw n PRO 95 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.00 -1.70 3.54 5.19 -1.95 -3.45 116.42 118.06 1uhw h ASP 96 Ca 0.00 -0.01 -0.68 0.00 -0.62 0.00 0.00 57.03 55.72 1uhw h ASP 96 Cb 0.27 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.83 1uhw h ASP 96 CO 0.00 0.57 0.50 0.00 -3.12 0.00 0.00 179.24 177.19 1uhw n ALA 97 N -2.99 -0.83 -2.47 3.45 0.00 -1.22 -4.88 120.51 111.57 1uhw n ALA 97 Ca -0.02 0.51 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 1uhw n ALA 97 Cb 0.07 -2.10 -0.12 0.00 0.00 0.00 0.00 19.45 17.30 1uhw n ALA 97 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1uhw s PHE 98 N 0.71 2.55 0.09 0.00 0.08 -1.26 -1.84 117.98 118.31 1uhw s PHE 98 Ca 0.85 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 57.54 1uhw s PHE 98 Cb -0.95 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.08 1uhw s PHE 98 CO 0.48 0.30 0.23 0.71 -0.10 0.00 0.00 175.22 176.84 1uhw s TYR 99 N -1.00 0.08 0.25 0.36 2.02 -1.24 -2.61 117.35 115.20 1uhw s TYR 99 Ca 0.16 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1uhw s TYR 99 Cb -0.11 0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 1uhw s TYR 99 CO 0.07 -0.57 0.38 1.52 -1.57 0.00 0.00 175.55 175.38 1uhw s TYR 100 N -3.83 0.69 0.11 2.71 1.13 -0.37 0.19 117.35 117.99 1uhw s TYR 100 Ca 0.04 -1.00 -0.17 0.00 -1.41 0.00 0.00 57.07 54.54 1uhw s TYR 100 Cb 0.04 -0.06 -0.07 0.00 -1.10 0.00 0.00 41.96 40.78 1uhw s TYR 100 CO -0.11 -0.92 0.55 -0.06 -2.51 0.00 0.00 175.55 172.50 1uhw s PHE 101 N -3.90 3.70 -1.12 -3.49 0.08 -1.26 0.15 117.98 112.14 1uhw s PHE 101 Ca 0.28 1.15 -0.18 0.00 0.12 0.00 0.00 56.93 58.30 1uhw s PHE 101 Cb 0.01 -2.42 -0.06 0.00 -0.57 0.00 0.00 43.02 39.98 1uhw s PHE 101 CO 0.12 0.51 2.04 -0.35 -0.10 0.00 0.00 175.22 177.43 1uhw n PRO 102 N 1.24 2.18 0.00 0.24 -0.04 -1.26 -2.62 135.00 134.75 1uhw n PRO 102 Ca -0.08 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1uhw n PRO 102 Cb 0.51 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 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 7.40 0.00 0.00 3.54 -0.08 -1.26 -5.04 116.55 121.12 1uhw n ASP 103 Ca 0.50 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 1uhw n ASP 103 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1uhw n ASP 103 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1uhw n SER 104 N -0.60 0.00 -0.01 1.67 7.64 -1.08 -5.07 113.62 116.17 1uhw n SER 104 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uhw n SER 104 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1uhw n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhw n GLY 105 N 2.14 0.51 3.80 0.23 0.00 -1.15 -4.60 105.19 106.11 1uhw n GLY 105 Ca 0.00 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 3.77 -0.01 1.61 0.04 -1.14 -4.39 135.00 134.88 1uhw s PRO 106 Ca 0.00 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1uhw s PRO 106 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1uhw s PRO 106 CO 0.00 -0.45 0.16 -1.12 0.04 0.00 0.00 177.00 175.63 1uhw s SER 107 N -2.04 6.25 -0.41 6.66 0.01 -1.26 -4.99 113.70 117.92 1uhw s SER 107 Ca 0.67 0.32 -0.05 0.00 1.31 0.00 0.00 55.95 58.19 1uhw s SER 107 Cb -0.16 -1.94 0.10 0.00 0.21 0.00 0.00 66.02 64.22 1uhw s SER 107 CO 0.21 0.27 0.22 -0.44 0.41 0.00 0.00 173.24 173.91 1uhw s SER 108 N -1.86 5.39 0.00 2.44 0.01 -1.26 -5.02 113.70 113.40 1uhw s SER 108 Ca 0.26 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 55.74 1uhw s SER 108 Cb -0.12 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1uhw s SER 108 CO 0.17 -0.53 0.15 0.61 0.41 0.00 0.00 173.24 174.05