#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 -0.87 0.04 1.61 1.04 -1.26 -5.06 113.70 109.21 1uhw s SER 2 Ca 0.00 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 1uhw s SER 2 Cb 0.00 1.11 0.01 0.00 0.10 0.00 0.00 66.02 67.24 1uhw s SER 2 CO 0.00 -0.09 0.25 -0.94 0.98 0.00 0.00 173.24 173.44 1uhw s SER 3 N 1.90 -0.05 -0.72 7.02 1.04 -1.26 -4.97 113.70 116.66 1uhw s SER 3 Ca 0.15 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1uhw s SER 3 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1uhw s SER 3 CO -0.11 -0.59 0.57 0.61 0.98 0.00 0.00 173.24 174.69 1uhw n GLY 4 N 0.60 -1.01 2.30 7.32 0.00 -1.26 -4.87 105.19 108.26 1uhw n GLY 4 Ca -0.19 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1uhw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uhw n SER 5 N -2.07 -0.93 -4.53 1.61 3.41 -1.26 -5.01 113.62 104.84 1uhw n SER 5 Ca -0.27 -1.64 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 1uhw n SER 5 Cb 0.65 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 65.11 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 -0.55 0.82 0.00 4.04 7.64 -1.26 -2.30 113.62 122.01 1uhw n SER 6 Ca -0.14 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1uhw n SER 6 Cb 0.67 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 6.21 1.89 0.08 0.23 0.00 -1.26 -4.91 105.19 107.44 1uhw n GLY 7 Ca 0.54 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1uhw n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uhw n LEU 8 N 0.00 -0.21 -0.02 0.99 4.32 -1.12 -0.64 117.00 120.32 1uhw n LEU 8 Ca 0.00 1.14 -0.00 0.00 -0.02 0.00 0.00 56.01 57.12 1uhw n LEU 8 Cb 0.00 -0.44 -0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1uhw n LEU 8 CO 0.00 -0.68 0.20 0.61 -1.22 0.00 0.00 177.39 176.30 1uhw n GLY 9 N -1.05 -1.26 0.47 -0.72 0.00 -0.97 0.30 105.19 101.96 1uhw n GLY 9 Ca 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.34 -0.98 -0.41 4.61 0.00 -1.50 0.68 119.26 121.31 1uhw h ALA 10 Ca 0.01 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uhw h ALA 10 Cb 0.02 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1uhw h ALA 10 CO -0.04 -1.12 -0.38 1.25 0.00 0.00 0.00 179.25 178.96 1uhw h LEU 11 N -0.72 -1.26 -0.25 0.00 7.12 0.25 -0.82 115.31 119.64 1uhw h LEU 11 Ca -0.00 0.21 0.06 0.00 0.13 0.00 0.00 57.88 58.28 1uhw h LEU 11 Cb 0.74 0.57 -0.07 0.00 -0.53 0.00 0.00 40.66 41.36 1uhw h LEU 11 CO -0.30 -0.35 -0.23 0.22 -0.13 0.00 0.00 178.44 177.66 1uhw h TYR 12 N -0.29 -0.59 -1.14 1.25 3.20 0.55 0.11 116.97 120.05 1uhw h TYR 12 Ca 0.16 0.04 0.39 0.00 3.14 0.00 0.00 58.73 62.45 1uhw h TYR 12 Cb 0.56 0.30 -0.14 0.00 1.54 0.00 0.00 36.73 38.99 1uhw h TYR 12 CO -0.58 -0.30 0.69 -0.07 -1.64 0.00 0.00 178.16 176.26 1uhw h LEU 13 N -0.23 0.35 0.21 2.82 3.38 0.18 0.54 115.31 122.56 1uhw h LEU 13 Ca 0.14 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1uhw h LEU 13 Cb 0.44 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1uhw h LEU 13 CO -0.38 -0.21 -0.10 -1.28 0.09 0.00 0.00 178.44 176.56 1uhw h SER 14 N 0.16 -0.24 -0.94 -0.43 0.87 -0.14 -2.90 113.55 109.92 1uhw h SER 14 Ca 0.79 -0.27 0.27 0.00 -1.23 0.00 0.00 61.79 61.35 1uhw h SER 14 Cb 2.18 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 64.16 1uhw h SER 14 CO -0.54 0.19 1.02 0.24 -0.53 0.00 0.00 176.83 177.20 1uhw h MET 15 N -0.71 0.00 -0.10 2.24 2.86 0.83 1.10 114.93 121.14 1uhw h MET 15 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1uhw h MET 15 Cb 0.49 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1uhw h MET 15 CO 0.05 0.00 -0.00 0.87 1.06 0.00 0.00 176.91 178.88 1uhw h LYS 16 N 0.00 0.18 -6.08 1.72 1.57 -1.16 -1.01 116.57 111.79 1uhw h LYS 16 Ca 0.45 -0.06 -0.71 0.00 -1.87 0.00 0.00 60.65 58.46 1uhw h LYS 16 Cb 2.48 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.77 1uhw h LYS 16 CO -0.00 0.44 1.15 -3.47 -0.57 0.00 0.00 179.45 177.00 1uhw n ASP 17 N -4.81 2.18 0.00 0.86 -0.08 0.38 -4.70 116.55 110.39 1uhw n ASP 17 Ca -0.06 0.78 0.12 0.00 -1.51 0.00 0.00 54.79 54.12 1uhw n ASP 17 Cb 0.20 -1.17 0.69 0.00 2.34 0.00 0.00 41.12 43.18 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 6.73 0.69 0.01 -0.67 -0.04 -1.26 0.97 135.00 141.44 1uhw n PRO 18 Ca 0.35 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1uhw n PRO 18 Cb 0.16 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.05 -0.52 0.54 1.02 -1.26 -4.68 120.64 114.74 1uhw n GLU 19 Ca 0.17 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 1uhw n GLU 19 Cb 0.10 -0.59 0.31 0.00 -0.02 0.00 0.00 31.44 31.24 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 -3.33 3.32 0.00 3.49 5.02 -1.25 -4.92 118.16 120.49 1uhw n LYS 20 Ca -0.03 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 1uhw n LYS 20 Cb 0.31 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.07 5.35 3.80 0.72 0.00 0.27 -4.77 105.19 111.63 1uhw n GLY 21 Ca 0.22 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.27 3.72 0.34 -0.61 1.01 -0.38 -4.71 121.20 120.30 1uhw s ILE 22 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 1uhw s ILE 22 Cb 0.00 -3.43 0.07 0.00 0.01 0.00 0.00 42.46 39.11 1uhw s ILE 22 CO 0.00 -0.26 0.46 0.29 0.00 0.00 0.00 174.94 175.43 1uhw n LYS 23 N -1.11 0.06 -3.40 2.79 4.01 -1.26 -4.01 118.16 115.24 1uhw n LYS 23 Ca 0.09 -1.06 -0.26 0.00 -0.51 0.00 0.00 58.31 56.57 1uhw n LYS 23 Cb 0.52 -0.37 -0.10 0.00 -0.51 0.00 0.00 35.03 34.57 1uhw n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1uhw s GLU 24 N -3.73 0.73 0.34 1.97 0.41 -1.26 -4.84 118.70 112.32 1uhw s GLU 24 Ca 0.29 -1.65 -0.14 0.00 -0.41 0.00 0.00 54.97 53.06 1uhw s GLU 24 Cb -0.01 -1.27 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 1uhw s GLU 24 CO 0.20 -1.30 0.75 -0.51 -0.49 0.00 0.00 175.26 173.90 1uhw s LEU 25 N 0.62 4.02 -0.01 1.80 2.01 -1.21 -4.69 118.68 121.23 1uhw s LEU 25 Ca 0.25 1.26 -0.24 0.00 0.01 0.00 0.00 54.13 55.41 1uhw s LEU 25 Cb -0.09 -4.08 -0.05 0.00 0.01 0.00 0.00 46.19 41.98 1uhw s LEU 25 CO -0.09 -0.24 0.73 0.54 1.01 0.00 0.00 176.35 178.30 1uhw s ASN 26 N -2.43 7.11 -0.14 2.29 4.22 -1.26 -3.55 114.94 121.18 1uhw s ASN 26 Ca 0.54 1.33 -0.00 0.00 -2.14 0.00 0.00 52.86 52.59 1uhw s ASN 26 Cb -0.10 -2.44 0.03 0.00 1.28 0.00 0.00 41.25 40.01 1uhw s ASN 26 CO 0.20 -0.04 -0.10 -0.76 -2.04 0.00 0.00 177.10 174.35 1uhw s LEU 27 N 0.32 1.48 -0.16 3.54 1.43 -0.92 -5.05 118.68 119.31 1uhw s LEU 27 Ca 0.38 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1uhw s LEU 27 Cb -0.19 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 1uhw s LEU 27 CO 0.21 -0.10 0.17 -0.70 0.23 0.00 0.00 176.35 176.16 1uhw s GLU 28 N 1.59 3.95 -0.62 1.70 2.12 -1.26 -1.62 118.70 124.56 1uhw s GLU 28 Ca 0.04 -0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.30 1uhw s GLU 28 Cb -0.13 -3.34 0.17 0.00 0.26 0.00 0.00 34.13 31.09 1uhw s GLU 28 CO -0.09 0.46 0.46 1.17 -0.54 0.00 0.00 175.26 176.72 1uhw n LYS 29 N 2.97 1.40 -2.89 4.30 3.00 0.23 -4.95 118.16 122.21 1uhw n LYS 29 Ca -0.17 -4.12 -0.01 0.00 -0.00 0.00 0.00 58.31 54.01 1uhw n LYS 29 Cb 0.53 -2.11 -0.01 0.00 0.00 0.00 0.00 35.03 33.45 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 2.15 -6.32 0.00 3.14 2.03 -1.26 -2.95 116.55 113.35 1uhw n ASP 30 Ca 0.23 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1uhw n ASP 30 Cb 0.39 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 1uhw n ASP 30 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1uhw n LYS 31 N 1.28 0.00 -1.49 -0.67 4.81 -1.26 -4.83 118.16 115.99 1uhw n LYS 31 Ca -0.07 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.92 1uhw n LYS 31 Cb 0.26 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.25 1uhw n LYS 31 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1uhw n LYS 32 N 0.00 1.04 -3.30 1.64 5.02 -1.15 -4.85 118.16 116.56 1uhw n LYS 32 Ca 0.00 0.22 -0.46 0.00 -2.02 0.00 0.00 58.31 56.05 1uhw n LYS 32 Cb 0.00 -2.66 -0.01 0.00 -0.02 0.00 0.00 35.03 32.35 1uhw n LYS 32 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uhw s VAL 33 N 8.75 5.80 -0.60 -0.18 1.01 -1.26 0.77 120.40 134.69 1uhw s VAL 33 Ca 1.09 -3.04 -0.27 0.00 0.00 0.00 0.00 61.98 59.76 1uhw s VAL 33 Cb -0.69 -4.59 -0.00 0.00 0.00 0.00 0.00 36.38 31.09 1uhw s VAL 33 CO 0.42 -1.18 1.65 -0.36 0.00 0.00 0.00 175.10 175.64 1uhw s PHE 34 N -0.55 1.93 0.16 5.22 0.08 -0.64 -4.96 117.98 119.22 1uhw s PHE 34 Ca 0.28 0.55 -0.05 0.00 0.12 0.00 0.00 56.93 57.83 1uhw s PHE 34 Cb -0.09 -4.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.04 1uhw s PHE 34 CO -0.08 -2.24 0.41 1.21 -0.10 0.00 0.00 175.22 174.42 1uhw s ASN 35 N 6.31 6.51 -0.78 1.36 3.84 -1.26 -2.18 114.94 128.75 1uhw s ASN 35 Ca 0.59 0.64 -0.03 0.00 0.21 0.00 0.00 52.86 54.27 1uhw s ASN 35 Cb -0.12 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.43 1uhw s ASN 35 CO 0.22 0.02 0.67 1.41 -2.79 0.00 0.00 177.10 176.63 1uhw n HIS 36 N 0.01 -1.70 -4.21 0.43 8.25 -1.26 -1.63 115.22 115.12 1uhw n HIS 36 Ca -0.02 0.63 -0.13 0.00 -0.26 0.00 0.00 57.72 57.94 1uhw n HIS 36 Cb 0.52 -3.82 -0.10 0.00 1.12 0.00 0.00 29.99 27.71 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 -0.01 0.00 -3.64 0.00 4.77 0.70 -3.32 117.00 115.50 1uhw n LEU 38 Ca -0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 1uhw n LEU 38 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1uhw n LEU 38 CO 0.30 0.00 0.35 0.42 -1.33 0.00 0.00 177.39 177.13 1uhw s THR 39 N 2.15 -0.21 0.59 -5.08 -4.23 -1.26 -3.73 115.64 103.87 1uhw s THR 39 Ca 0.00 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.80 1uhw s THR 39 Cb 0.00 -1.00 0.41 0.00 1.34 0.00 0.00 72.50 73.25 1uhw s THR 39 CO 0.00 0.00 1.71 1.23 -0.54 0.00 0.00 174.62 177.02 1uhw h GLY 40 N 7.16 0.00 0.62 3.99 0.00 -0.96 1.54 103.07 115.43 1uhw h GLY 40 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.80 1uhw h GLY 40 CO 0.15 0.00 -1.29 0.23 0.00 0.00 0.00 176.54 175.63 1uhw h SER 41 N 0.00 0.42 -0.22 0.19 0.87 -1.62 -3.22 113.55 109.96 1uhw h SER 41 Ca 0.34 -0.88 -0.12 0.00 -1.23 0.00 0.00 61.79 59.90 1uhw h SER 41 Cb 1.82 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1uhw h SER 41 CO -0.00 1.58 -0.33 1.23 -0.53 0.00 0.00 176.83 178.78 1uhw h GLY 42 N -0.02 0.67 0.15 5.77 0.00 -0.43 -2.35 103.07 106.87 1uhw h GLY 42 Ca -0.27 -0.75 0.05 0.00 0.00 0.00 0.00 47.33 46.36 1uhw h GLY 42 CO 0.09 0.67 -0.32 -0.39 0.00 0.00 0.00 176.54 176.59 1uhw h VAL 43 N 0.31 0.29 -0.28 4.60 -1.51 0.18 -0.50 116.25 119.33 1uhw h VAL 43 Ca 0.02 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.54 1uhw h VAL 43 Cb 0.91 0.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.31 1uhw h VAL 43 CO 0.08 0.00 -0.02 0.40 -1.23 0.00 0.00 177.57 176.79 1uhw h ILE 44 N -0.39 0.77 -0.99 7.19 2.04 -1.58 0.27 117.51 124.82 1uhw h ILE 44 Ca 0.10 -0.02 0.29 0.00 1.00 0.00 0.00 64.86 66.23 1uhw h ILE 44 Cb 0.54 0.71 -0.14 0.00 -0.74 0.00 0.00 36.82 37.19 1uhw h ILE 44 CO -0.35 0.01 0.54 -0.78 0.00 0.00 0.00 178.15 177.57 1uhw h ASP 45 N 0.06 0.52 -0.41 1.72 1.82 -0.67 1.37 116.42 120.82 1uhw h ASP 45 Ca 0.14 0.17 -0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1uhw h ASP 45 Cb 0.19 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1uhw h ASP 45 CO -0.25 -0.06 -0.09 -0.25 -1.61 0.00 0.00 179.24 176.98 1uhw h TRP 46 N 0.39 0.89 -0.38 0.28 7.01 0.54 0.65 115.95 125.32 1uhw h TRP 46 Ca 0.69 -0.19 0.07 0.00 2.11 0.00 0.00 58.89 61.57 1uhw h TRP 46 Cb 1.48 -0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 28.25 1uhw h TRP 46 CO -0.03 0.91 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.41 1uhw h LEU 47 N 0.61 -0.25 -0.05 0.65 3.38 0.29 0.68 115.31 120.63 1uhw h LEU 47 Ca 0.11 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1uhw h LEU 47 Cb 0.62 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uhw h LEU 47 CO 0.04 -0.08 -0.06 0.58 0.09 0.00 0.00 178.44 179.01 1uhw h VAL 48 N 0.05 1.39 -0.89 1.22 2.07 -0.67 1.44 116.25 120.87 1uhw h VAL 48 Ca 0.19 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 66.61 1uhw h VAL 48 Cb 0.28 2.14 -0.17 0.00 -1.52 0.00 0.00 31.29 32.02 1uhw h VAL 48 CO -0.35 0.35 -0.24 0.28 0.02 0.00 0.00 177.57 177.62 1uhw h SER 49 N -0.35 -0.90 1.33 0.57 0.02 0.91 1.48 113.55 116.62 1uhw h SER 49 Ca 0.01 0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1uhw h SER 49 Cb 0.59 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1uhw h SER 49 CO 0.01 -0.30 -0.50 0.78 -1.14 0.00 0.00 176.83 175.69 1uhw h ASN 50 N -0.01 0.00 -1.37 3.07 2.35 -0.87 -3.48 115.58 115.28 1uhw h ASN 50 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1uhw h ASN 50 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1uhw h ASN 50 CO -0.92 0.50 0.00 0.29 -1.65 0.00 0.00 177.43 175.65 1uhw n LYS 51 N -3.29 0.00 0.07 0.81 4.76 0.51 -4.99 118.16 116.03 1uhw n LYS 51 Ca 0.01 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.41 1uhw n LYS 51 Cb 0.70 -1.72 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.16 -3.47 115.31 115.03 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 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1uhw h LEU 52 CO 0.00 0.86 -0.13 1.33 0.09 0.00 0.00 178.44 180.60 1uhw n VAL 53 N -3.29 0.00 -0.02 1.22 0.24 -1.25 -5.05 118.33 110.18 1uhw n VAL 53 Ca -0.01 -0.63 0.02 0.00 -2.04 0.00 0.00 64.34 61.68 1uhw n VAL 53 Cb 0.89 0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.29 0.66 -3.95 7.34 1.74 -1.26 -4.91 116.66 116.00 1uhw n ARG 54 Ca -0.04 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 1uhw n ARG 54 Cb 0.17 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1uhw n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1uhw s ASN 55 N -5.13 0.22 0.20 0.55 2.20 -1.26 -5.05 114.94 106.67 1uhw s ASN 55 Ca -0.07 -1.13 -0.09 0.00 -0.94 0.00 0.00 52.86 50.63 1uhw s ASN 55 Cb 0.10 0.71 0.12 0.00 -2.00 0.00 0.00 41.25 40.18 1uhw s ASN 55 CO 0.86 -1.39 1.73 -0.09 -2.94 0.00 0.00 177.10 175.27 1uhw h ARG 56 N 2.10 1.10 -0.04 3.55 2.43 -1.95 -3.10 114.38 118.47 1uhw h ARG 56 Ca -0.28 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1uhw h ARG 56 Cb 1.25 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1uhw h ARG 56 CO 0.36 0.95 -0.27 0.37 -1.51 0.00 0.00 179.97 179.88 1uhw h GLN 57 N 1.05 -0.30 -0.98 0.20 -0.00 -1.99 -0.64 115.11 112.45 1uhw h GLN 57 Ca 0.23 0.02 0.24 0.00 -0.00 0.00 0.00 58.65 59.14 1uhw h GLN 57 Cb 0.31 0.07 -0.18 0.00 0.00 0.00 0.00 27.48 27.67 1uhw h GLN 57 CO -0.01 -0.20 -0.07 0.93 0.00 0.00 0.00 178.83 179.49 1uhw h GLU 58 N -0.31 0.01 -1.01 1.69 5.08 -1.97 1.51 114.58 119.59 1uhw h GLU 58 Ca 0.01 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1uhw h GLU 58 Cb 0.35 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1uhw h GLU 58 CO -0.20 0.01 0.64 0.78 -1.00 0.00 0.00 179.01 179.24 1uhw h GLY 59 N 0.01 1.57 0.82 -3.84 0.00 -1.16 0.38 103.07 100.85 1uhw h GLY 59 Ca 0.55 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1uhw h GLY 59 CO -0.94 0.28 0.15 -2.00 0.00 0.00 0.00 176.54 174.02 1uhw h LEU 60 N 1.12 0.21 0.12 3.11 7.12 0.36 0.68 115.31 128.02 1uhw h LEU 60 Ca 0.46 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.48 1uhw h LEU 60 Cb 0.28 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1uhw h LEU 60 CO -0.21 0.16 -0.06 0.24 -0.13 0.00 0.00 178.44 178.44 1uhw h MET 61 N 0.31 -0.16 -0.34 1.25 0.00 -0.49 -2.98 114.93 112.52 1uhw h MET 61 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 59.70 59.91 1uhw h MET 61 Cb 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 31.60 31.64 1uhw h MET 61 CO -0.10 0.19 -0.02 0.82 0.00 0.00 0.00 176.91 177.79 1uhw h ILE 62 N -0.53 0.72 -0.82 -1.22 1.08 -0.12 -1.45 117.51 115.18 1uhw h ILE 62 Ca -0.02 -0.02 0.16 0.00 -0.39 0.00 0.00 64.86 64.59 1uhw h ILE 62 Cb 0.42 0.65 -0.15 0.00 -3.07 0.00 0.00 36.82 34.67 1uhw h ILE 62 CO 0.03 0.01 -0.22 0.28 -0.69 0.00 0.00 178.15 177.56 1uhw h SER 63 N 0.07 -0.81 -0.73 1.72 0.02 0.39 0.88 113.55 115.08 1uhw h SER 63 Ca 0.16 0.25 0.15 0.00 -0.84 0.00 0.00 61.79 61.51 1uhw h SER 63 Cb 0.23 0.52 -0.10 0.00 0.14 0.00 0.00 62.40 63.19 1uhw h SER 63 CO -0.30 -0.27 0.22 0.00 -1.14 0.00 0.00 176.83 175.34 1uhw h ALA 64 N 1.77 0.98 -0.94 3.77 0.00 -1.11 0.53 119.26 124.26 1uhw h ALA 64 Ca 0.39 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.60 1uhw h ALA 64 Cb 0.60 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1uhw h ALA 64 CO -0.85 -0.30 0.60 1.03 0.00 0.00 0.00 179.25 179.74 1uhw h SER 65 N 0.33 0.70 0.45 0.00 0.87 0.95 0.56 113.55 117.40 1uhw h SER 65 Ca 0.41 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1uhw h SER 65 Cb 0.67 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1uhw h SER 65 CO -0.47 0.33 -0.21 -0.07 -0.53 0.00 0.00 176.83 175.88 1uhw h LEU 66 N 0.73 -0.51 -0.21 2.23 3.38 0.54 -2.72 115.31 118.76 1uhw h LEU 66 Ca 0.49 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.43 1uhw h LEU 66 Cb 0.78 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1uhw h LEU 66 CO -0.25 -0.10 -0.35 0.25 0.09 0.00 0.00 178.44 178.08 1uhw h LEU 67 N -1.03 -1.12 -0.46 1.67 5.85 -0.35 -1.43 115.31 118.44 1uhw h LEU 67 Ca -0.06 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1uhw h LEU 67 Cb 0.56 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1uhw h LEU 67 CO 0.10 -0.37 -0.29 -1.28 -0.34 0.00 0.00 178.44 176.27 1uhw h SER 68 N -0.38 -1.05 -1.31 1.25 0.87 0.03 1.37 113.55 114.33 1uhw h SER 68 Ca 0.11 0.16 0.39 0.00 -1.23 0.00 0.00 61.79 61.22 1uhw h SER 68 Cb 0.57 0.46 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 1uhw h SER 68 CO -0.42 -0.12 0.90 -0.33 -0.53 0.00 0.00 176.83 176.32 1uhw h GLU 69 N -0.02 0.12 0.00 2.24 4.39 -1.09 -3.44 114.58 116.78 1uhw h GLU 69 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1uhw h GLU 69 Cb 0.21 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1uhw h GLU 69 CO -0.44 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 177.90 1uhw n GLY 70 N -1.65 1.92 0.13 -3.84 0.00 0.47 -5.01 105.19 97.21 1uhw n GLY 70 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.10 1.61 0.05 -1.33 -3.43 116.97 110.76 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 -0.34 0.00 1.01 0.00 0.00 36.73 37.40 1uhw h TYR 71 CO 0.00 0.29 -0.85 -0.51 -1.05 0.00 0.00 178.16 176.05 1uhw s LEU 72 N -5.90 2.21 -0.17 3.88 2.01 -1.26 -4.12 118.68 115.33 1uhw s LEU 72 Ca 0.01 -0.62 -0.12 0.00 0.01 0.00 0.00 54.13 53.41 1uhw s LEU 72 Cb 0.08 -1.50 -0.05 0.00 0.01 0.00 0.00 46.19 44.73 1uhw s LEU 72 CO 0.77 0.00 0.22 -1.10 1.01 0.00 0.00 176.35 177.25 1uhw s GLN 73 N 1.27 4.19 -0.01 1.70 -1.52 0.77 -4.78 119.66 121.27 1uhw s GLN 73 Ca 0.04 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.11 1uhw s GLN 73 Cb -0.13 -3.41 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 1uhw s GLN 73 CO -0.11 0.29 1.20 -1.25 -0.25 0.00 0.00 175.29 175.17 1uhw s PRO 74 N 0.33 4.38 -0.34 2.91 0.04 -1.26 -1.42 135.00 139.65 1uhw s PRO 74 Ca 0.13 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1uhw s PRO 74 Cb -0.12 -3.49 0.09 0.00 0.04 0.00 0.00 34.50 31.02 1uhw s PRO 74 CO 0.02 -0.37 0.05 0.00 0.04 0.00 0.00 177.00 176.73 1uhw s ALA 75 N 1.80 2.88 0.00 8.56 0.00 -1.19 -4.86 121.76 128.95 1uhw s ALA 75 Ca 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1uhw s ALA 75 Cb -0.26 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1uhw s ALA 75 CO 0.25 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1uhw n GLY 76 N 4.35 0.51 1.94 0.00 0.00 -1.26 -4.69 105.19 106.04 1uhw n GLY 76 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.00 0.00 1.61 2.03 -1.26 -4.75 116.55 114.18 1uhw n ASP 77 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1uhw n ASP 77 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.56 0.00 0.06 -2.67 0.00 -1.26 0.15 117.00 110.72 1uhw n LEU 78 Ca 0.00 0.90 0.21 0.00 0.00 0.00 0.00 56.01 57.12 1uhw n LEU 78 Cb 0.03 -0.40 0.64 0.00 0.00 0.00 0.00 43.42 43.69 1uhw n LEU 78 CO 0.00 -0.40 1.18 0.77 0.00 0.00 0.00 177.39 178.94 1uhw h SER 79 N 0.00 0.00 0.03 1.96 4.64 -1.88 0.45 113.55 118.75 1uhw h SER 79 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uhw h SER 79 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1uhw h SER 79 CO 0.00 0.00 -0.02 0.11 -0.87 0.00 0.00 176.83 176.05 1uhw h LYS 80 N 0.00 -0.04 -0.83 4.77 1.57 -0.57 -2.74 116.57 118.73 1uhw h LYS 80 Ca 0.23 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1uhw h LYS 80 Cb 1.53 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.79 1uhw h LYS 80 CO -0.00 0.58 0.51 -0.91 -0.57 0.00 0.00 179.45 179.06 1uhw h ASN 81 N -0.72 0.81 0.21 0.86 2.35 0.58 -1.55 115.58 118.12 1uhw h ASN 81 Ca -0.00 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1uhw h ASN 81 Cb 0.64 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1uhw h ASN 81 CO 0.01 0.53 -0.48 0.00 -1.65 0.00 0.00 177.43 175.83 1uhw h ALA 82 N 1.39 -0.94 -0.46 -0.83 0.00 -1.06 -0.89 119.26 116.46 1uhw h ALA 82 Ca 0.36 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.79 1uhw h ALA 82 Cb 0.15 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1uhw h ALA 82 CO -0.16 -1.09 0.36 0.00 0.00 0.00 0.00 179.25 178.36 1uhw n ALA 83 N -2.87 5.54 -0.00 0.00 0.00 -0.93 -3.54 120.51 118.70 1uhw n ALA 83 Ca -0.09 -2.03 -0.02 0.00 0.00 0.00 0.00 53.44 51.30 1uhw n ALA 83 Cb 0.41 -1.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 0.62 0.72 -0.78 0.00 2.03 -0.34 -4.95 116.55 113.86 1uhw n ASP 84 Ca 0.35 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.73 1uhw n ASP 84 Cb 0.58 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 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 2.66 0.70 0.12 0.27 0.00 -1.22 -5.00 105.19 102.73 1uhw n GLY 85 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 4.93 0.00 0.00 -0.61 1.08 -1.70 -3.50 117.51 117.70 1uhw h ILE 86 Ca -0.32 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1uhw h ILE 86 Cb 1.22 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1uhw h ILE 86 CO -0.16 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.30 1uhw n ALA 87 N -2.21 0.00 -0.25 1.87 0.00 -1.26 -4.88 120.51 113.78 1uhw n ALA 87 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1uhw n ALA 87 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.37 0.00 0.00 0.00 2.13 -1.26 -4.63 120.64 115.51 1uhw n GLU 88 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1uhw n GLU 88 Cb 0.00 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.10 1uhw n GLU 88 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1uhw n ASN 89 N 0.00 0.00 0.12 4.31 5.03 -1.26 -5.04 115.26 118.42 1uhw n ASN 89 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 1uhw n ASN 89 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 38.85 1uhw n ASN 89 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1uhw h PRO 90 N 0.00 0.00 -6.73 3.52 0.13 -1.82 -3.44 132.00 123.65 1uhw h PRO 90 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1uhw h PRO 90 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1uhw h PRO 90 CO 0.00 0.72 0.36 0.12 -0.23 0.00 0.00 178.00 178.97 1uhw s PHE 91 N -3.31 3.94 -0.28 1.56 5.36 -1.26 -3.82 117.98 120.17 1uhw s PHE 91 Ca -0.00 1.89 0.01 0.00 -0.96 0.00 0.00 56.93 57.86 1uhw s PHE 91 Cb 0.12 -3.01 0.06 0.00 -0.34 0.00 0.00 43.02 39.84 1uhw s PHE 91 CO 0.77 0.34 -0.06 -0.51 -1.46 0.00 0.00 175.22 174.31 1uhw s LEU 92 N -1.06 3.68 -0.74 6.12 1.43 -1.26 -4.96 118.68 121.88 1uhw s LEU 92 Ca 0.42 -1.37 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 1uhw s LEU 92 Cb -0.26 -1.62 -0.18 0.00 0.03 0.00 0.00 46.19 44.15 1uhw s LEU 92 CO 0.32 -0.23 1.88 -0.67 0.23 0.00 0.00 176.35 177.89 1uhw n ASP 93 N 4.51 2.35 -3.84 2.29 2.03 -1.26 -4.36 116.55 118.27 1uhw n ASP 93 Ca -0.13 -2.65 -0.12 0.00 0.52 0.00 0.00 54.79 52.41 1uhw n ASP 93 Cb 0.43 -1.16 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 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 5.72 -0.05 0.00 1.67 0.15 -1.26 -4.68 113.70 115.25 1uhw s SER 94 Ca 0.62 -0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.45 1uhw s SER 94 Cb 0.11 0.26 1.19 0.00 -1.71 0.00 0.00 66.02 65.87 1uhw s SER 94 CO 0.16 -0.32 1.75 -0.81 1.20 0.00 0.00 173.24 175.22 1uhw n PRO 95 N 1.72 0.40 -0.05 5.44 -0.04 -1.26 -2.02 135.00 139.19 1uhw n PRO 95 Ca -0.21 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 1uhw n PRO 95 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.13 -2.43 3.54 5.19 -1.95 -3.44 116.42 117.46 1uhw h ASP 96 Ca 0.00 -0.88 -0.57 0.00 -0.62 0.00 0.00 57.03 54.96 1uhw h ASP 96 Cb 0.18 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1uhw h ASP 96 CO 0.00 1.24 1.31 0.00 -3.12 0.00 0.00 179.24 178.68 1uhw s ALA 97 N -2.32 2.98 -0.12 3.45 0.00 -1.17 -4.93 121.76 119.66 1uhw s ALA 97 Ca -0.20 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 1uhw s ALA 97 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1uhw s ALA 97 CO 0.70 -2.43 0.12 -0.06 0.00 0.00 0.00 175.76 174.10 1uhw s PHE 98 N 6.77 3.54 0.00 0.00 0.08 -1.26 -1.53 117.98 125.57 1uhw s PHE 98 Ca 0.86 0.47 0.00 0.00 0.12 0.00 0.00 56.93 58.39 1uhw s PHE 98 Cb -0.29 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1uhw s PHE 98 CO 0.34 0.67 -0.01 0.71 -0.10 0.00 0.00 175.22 176.84 1uhw s TYR 99 N -0.89 0.05 0.04 0.36 2.02 -1.24 -3.19 117.35 114.50 1uhw s TYR 99 Ca 0.14 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 1uhw s TYR 99 Cb -0.12 -0.03 -0.02 0.00 -0.40 0.00 0.00 41.96 41.39 1uhw s TYR 99 CO 0.03 -0.00 -0.12 1.52 -1.57 0.00 0.00 175.55 175.41 1uhw s TYR 100 N -0.04 1.08 0.31 2.71 1.13 -0.51 -0.22 117.35 121.81 1uhw s TYR 100 Ca -0.00 -0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 1uhw s TYR 100 Cb -0.00 -0.64 -0.10 0.00 -1.10 0.00 0.00 41.96 40.12 1uhw s TYR 100 CO -0.00 0.02 1.38 -0.06 -2.51 0.00 0.00 175.55 174.38 1uhw s PHE 101 N -0.95 2.98 -1.13 -3.49 0.08 -1.26 -0.17 117.98 114.04 1uhw s PHE 101 Ca -0.01 1.24 -0.19 0.00 0.12 0.00 0.00 56.93 58.10 1uhw s PHE 101 Cb -0.08 -3.78 -0.05 0.00 -0.57 0.00 0.00 43.02 38.54 1uhw s PHE 101 CO 0.01 -2.30 2.01 -0.35 -0.10 0.00 0.00 175.22 174.49 1uhw n PRO 102 N 1.32 2.20 0.00 0.24 -0.04 -1.26 -2.73 135.00 134.74 1uhw n PRO 102 Ca 0.03 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1uhw n PRO 102 Cb 0.41 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.97 0.00 0.00 3.54 -0.08 -1.26 -5.05 116.55 121.67 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 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.91 0.00 -0.20 1.67 7.64 -1.10 -5.07 113.62 115.65 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 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.51 -0.13 3.79 0.23 0.00 -1.21 -4.74 105.19 105.64 1uhw n GLY 105 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 1.36 0.01 1.61 0.04 -0.64 -4.65 135.00 132.73 1uhw s PRO 106 Ca 0.00 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 1uhw s PRO 106 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1uhw s PRO 106 CO 0.00 -2.06 0.02 0.45 0.04 0.00 0.00 177.00 175.45 1uhw s SER 107 N -4.00 0.15 -0.28 6.66 0.15 -1.26 -5.04 113.70 110.08 1uhw s SER 107 Ca 0.63 -0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.76 1uhw s SER 107 Cb -0.15 0.12 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1uhw s SER 107 CO 0.53 -0.28 0.79 -0.94 1.20 0.00 0.00 173.24 174.54 1uhw s SER 108 N -1.25 -0.79 0.00 5.45 1.04 -1.26 -5.06 113.70 111.83 1uhw s SER 108 Ca -0.14 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1uhw s SER 108 Cb -0.08 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.36 1uhw s SER 108 CO -0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.62