#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwc s SER 3 N 0.00 -0.33 0.24 4.39 1.04 -1.26 -5.05 113.70 112.73 3iwc s SER 3 Ca 0.00 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 3iwc s SER 3 Cb 0.00 0.54 0.26 0.00 0.10 0.00 0.00 66.02 66.92 3iwc s SER 3 CO 0.00 -0.95 1.71 -0.07 0.98 0.00 0.00 173.24 174.91 3iwc h LEU 4 N 2.22 0.80 -8.36 2.42 3.38 -2.13 -3.46 115.31 110.18 3iwc h LEU 4 Ca -0.32 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.26 3iwc h LEU 4 Cb 1.27 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 3iwc h LEU 4 CO 0.41 0.90 -0.57 -0.83 0.09 0.00 0.00 178.44 178.44 3iwc s GLY 5 N -3.74 0.89 -0.10 0.83 0.00 -1.26 -5.14 107.32 98.80 3iwc s GLY 5 Ca -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.31 3iwc s GLY 5 CO 0.82 -1.25 -0.21 0.50 0.00 0.00 0.00 173.10 172.97 3iwc s ARG 6 N -4.03 2.75 -0.12 2.90 0.52 -1.26 -5.12 118.95 114.57 3iwc s ARG 6 Ca 0.23 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3iwc s ARG 6 Cb 0.06 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.44 3iwc s ARG 6 CO 0.02 0.11 -0.05 -1.58 0.02 0.00 0.00 175.30 173.81 3iwc s HIS 7 N 0.51 1.38 -0.26 -0.53 2.46 -1.26 -5.11 115.29 112.48 3iwc s HIS 7 Ca -0.16 -0.74 -0.12 0.00 0.47 0.00 0.00 55.06 54.51 3iwc s HIS 7 Cb -0.17 -1.17 -0.05 0.00 -0.13 0.00 0.00 32.58 31.06 3iwc s HIS 7 CO 0.06 -0.52 0.24 -0.51 -2.47 0.00 0.00 174.74 171.54 3iwc s LEU 8 N 1.74 4.06 -0.40 8.88 1.43 -1.26 -5.04 118.68 128.09 3iwc s LEU 8 Ca 0.04 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3iwc s LEU 8 Cb -0.13 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.92 3iwc s LEU 8 CO -0.08 -0.05 0.24 -0.69 0.23 0.00 0.00 176.35 176.01 3iwc s VAL 9 N 1.62 4.61 -0.03 -1.59 1.01 -1.26 -5.07 120.40 119.69 3iwc s VAL 9 Ca 0.10 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3iwc s VAL 9 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3iwc s VAL 9 CO 0.09 -0.34 -0.19 0.00 0.00 0.00 0.00 175.10 174.66 3iwc s ALA 10 N 1.54 2.46 -0.25 5.51 0.00 -1.26 -5.11 121.76 124.65 3iwc s ALA 10 Ca 0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3iwc s ALA 10 Cb -0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3iwc s ALA 10 CO 0.06 0.55 0.03 -1.21 0.00 0.00 0.00 175.76 175.18 3iwc s GLU 11 N -0.74 3.35 -0.23 0.00 0.41 -1.26 -5.09 118.70 115.15 3iwc s GLU 11 Ca 0.11 -0.67 -0.07 0.00 -0.41 0.00 0.00 54.97 53.94 3iwc s GLU 11 Cb -0.10 -3.21 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 3iwc s GLU 11 CO 0.00 -0.28 0.05 -0.06 -0.49 0.00 0.00 175.26 174.48 3iwc s PHE 12 N 1.52 3.10 0.19 1.61 2.99 -1.26 -5.10 117.98 121.02 3iwc s PHE 12 Ca 0.05 -0.35 0.09 0.00 0.00 0.00 0.00 56.93 56.72 3iwc s PHE 12 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 3iwc s PHE 12 CO 0.00 -0.25 -0.10 0.71 -0.00 0.00 0.00 175.22 175.58 3iwc s TYR 13 N 1.26 2.60 -1.44 0.36 2.02 -1.26 -4.75 117.35 116.15 3iwc s TYR 13 Ca 0.04 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 3iwc s TYR 13 Cb -0.15 -1.26 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 3iwc s TYR 13 CO 0.03 0.53 0.93 0.39 -1.57 0.00 0.00 175.55 175.85 3iwc n GLU 14 N -0.03 -5.69 -1.87 -0.62 1.02 -1.26 -4.98 120.64 107.21 3iwc n GLU 14 Ca -0.10 0.64 -0.29 0.00 -0.02 0.00 0.00 57.16 57.39 3iwc n GLU 14 Cb 0.56 -5.46 0.09 0.00 -0.02 0.00 0.00 31.44 26.61 3iwc n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwc s ASP 16 N -4.53 5.98 0.55 0.00 -1.08 -1.26 -4.86 116.67 111.47 3iwc s ASP 16 Ca 0.62 0.91 0.22 0.00 -0.52 0.00 0.00 52.55 53.78 3iwc s ASP 16 Cb -0.11 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.33 3iwc s ASP 16 CO 0.49 -1.71 2.20 0.03 0.52 0.00 0.00 175.17 176.71 3iwc h ARG 17 N 12.23 0.00 -0.28 4.34 3.08 -1.99 -1.86 114.38 129.90 3iwc h ARG 17 Ca -0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 3iwc h ARG 17 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3iwc h ARG 17 CO 1.09 0.00 -0.26 0.93 -1.07 0.00 0.00 179.97 180.66 3iwc h GLU 18 N 0.00 0.67 -0.62 0.04 4.39 -1.98 -2.90 114.58 114.18 3iwc h GLU 18 Ca -0.00 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 3iwc h GLU 18 Cb 0.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3iwc h GLU 18 CO 0.00 0.95 0.34 0.28 -1.16 0.00 0.00 179.01 179.43 3iwc h VAL 19 N 0.40 1.20 -0.04 3.13 2.07 -1.76 -2.60 116.25 118.66 3iwc h VAL 19 Ca 0.05 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3iwc h VAL 19 Cb 0.82 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3iwc h VAL 19 CO 0.07 0.21 0.03 -0.07 0.02 0.00 0.00 177.57 177.83 3iwc h LEU 20 N 0.84 0.00 -3.34 2.57 3.38 -1.29 -2.14 115.31 115.33 3iwc h LEU 20 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iwc h LEU 20 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iwc h LEU 20 CO -0.04 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.82 3iwc n ASP 21 N -4.23 5.16 -4.13 -0.43 2.03 -0.99 -4.31 116.55 109.65 3iwc n ASP 21 Ca -0.02 -2.69 -0.38 0.00 0.52 0.00 0.00 54.79 52.22 3iwc n ASP 21 Cb 0.12 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.81 3iwc n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3iwc s ASN 22 N -0.91 5.41 0.50 1.67 3.84 -0.81 -4.88 114.94 119.77 3iwc s ASN 22 Ca 0.52 -2.51 0.15 0.00 0.21 0.00 0.00 52.86 51.24 3iwc s ASN 22 Cb 0.37 -1.89 1.21 0.00 -0.55 0.00 0.00 41.25 40.38 3iwc s ASN 22 CO 0.20 -0.47 2.12 1.62 -2.79 0.00 0.00 177.10 177.78 3iwc h VAL 23 N 5.64 0.99 -0.04 -5.21 3.04 -1.87 -1.07 116.25 117.73 3iwc h VAL 23 Ca -0.06 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3iwc h VAL 23 Cb 1.00 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3iwc h VAL 23 CO 0.73 0.02 -0.03 1.56 -1.01 0.00 0.00 177.57 178.84 3iwc h GLN 24 N 0.10 0.10 -0.58 4.17 1.08 -1.96 -2.65 115.11 115.38 3iwc h GLN 24 Ca 0.05 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 3iwc h GLN 24 Cb 0.08 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3iwc h GLN 24 CO -0.01 0.52 -0.05 1.25 -0.95 0.00 0.00 178.83 179.59 3iwc h LEU 25 N -0.32 1.04 -0.56 1.46 5.85 -1.84 -2.71 115.31 118.23 3iwc h LEU 25 Ca 0.01 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3iwc h LEU 25 Cb 0.49 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3iwc h LEU 25 CO 0.01 1.12 0.32 0.40 -0.34 0.00 0.00 178.44 179.95 3iwc h ILE 26 N 0.94 1.18 -0.77 4.05 1.08 -1.24 0.77 117.51 123.51 3iwc h ILE 26 Ca 0.16 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 3iwc h ILE 26 Cb 0.62 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 3iwc h ILE 26 CO 0.04 0.19 0.35 -0.08 -0.69 0.00 0.00 178.15 177.96 3iwc h GLU 27 N 0.75 1.13 0.20 2.37 4.81 -1.41 0.42 114.58 122.85 3iwc h GLU 27 Ca 0.20 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3iwc h GLU 27 Cb 0.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3iwc h GLU 27 CO -0.03 0.89 -0.10 0.37 -0.73 0.00 0.00 179.01 179.41 3iwc h GLN 28 N 1.10 -0.26 -0.05 1.92 4.15 -1.13 -1.45 115.11 119.39 3iwc h GLN 28 Ca 0.26 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.61 3iwc h GLN 28 Cb 0.15 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3iwc h GLN 28 CO -0.03 -0.18 -0.39 0.93 -1.93 0.00 0.00 178.83 177.23 3iwc h GLU 29 N -0.27 0.11 -0.27 1.69 4.39 -0.58 -1.78 114.58 117.86 3iwc h GLU 29 Ca -0.03 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 3iwc h GLU 29 Cb 0.21 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3iwc h GLU 29 CO 0.04 0.49 -0.53 0.52 -1.16 0.00 0.00 179.01 178.37 3iwc h MET 30 N 0.10 0.84 -0.57 2.33 2.86 -0.72 -0.89 114.93 118.87 3iwc h MET 30 Ca 0.01 -0.54 -0.09 0.00 -2.06 0.00 0.00 59.70 57.02 3iwc h MET 30 Cb 0.74 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3iwc h MET 30 CO 0.06 1.17 -0.01 0.87 1.06 0.00 0.00 176.91 180.06 3iwc h LYS 31 N 0.61 0.99 -0.68 1.72 1.57 -1.16 -1.39 116.57 118.23 3iwc h LYS 31 Ca 0.01 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3iwc h LYS 31 Cb 1.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3iwc h LYS 31 CO 0.12 0.98 0.24 0.37 -0.57 0.00 0.00 179.45 180.59 3iwc h GLN 32 N 0.91 1.04 -0.59 3.15 5.75 -1.23 -0.81 115.11 123.34 3iwc h GLN 32 Ca 0.16 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3iwc h GLN 32 Cb 0.54 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3iwc h GLN 32 CO 0.03 0.88 0.20 0.00 -2.65 0.00 0.00 178.83 177.29 3iwc h ALA 33 N 1.11 1.26 -0.62 3.38 0.00 -0.81 0.18 119.26 123.75 3iwc h ALA 33 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iwc h ALA 33 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iwc h ALA 33 CO -0.01 0.54 0.25 0.00 0.00 0.00 0.00 179.25 180.02 3iwc h ALA 34 N 1.37 0.81 -0.19 0.00 0.00 -0.64 -1.90 119.26 118.72 3iwc h ALA 34 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iwc h ALA 34 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iwc h ALA 34 CO -0.01 0.43 0.09 -0.92 0.00 0.00 0.00 179.25 178.83 3iwc h TYR 35 N 0.87 0.27 -0.18 0.00 3.20 -0.07 -2.67 116.97 118.40 3iwc h TYR 35 Ca 0.21 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3iwc h TYR 35 Cb 0.21 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3iwc h TYR 35 CO 0.01 0.29 0.12 0.93 -1.64 0.00 0.00 178.16 177.88 3iwc h GLU 36 N 0.18 0.16 0.00 1.82 4.39 -0.43 -1.26 114.58 119.43 3iwc h GLU 36 Ca 0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3iwc h GLU 36 Cb 0.12 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3iwc h GLU 36 CO -0.01 0.10 0.00 0.66 -1.16 0.00 0.00 179.01 178.61 3iwc h SER 37 N 0.16 0.00 0.00 1.42 4.64 -1.08 -3.47 113.55 115.22 3iwc h SER 37 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3iwc h SER 37 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3iwc h SER 37 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3iwc n GLY 38 N 0.87 0.75 3.84 -0.77 0.00 -0.48 -5.06 105.19 104.34 3iwc n GLY 38 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3iwc n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwc s ALA 39 N -2.41 3.03 -0.07 4.61 0.00 -1.03 -4.96 121.76 120.92 3iwc s ALA 39 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 3iwc s ALA 39 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3iwc s ALA 39 CO 0.00 -0.27 0.41 0.99 0.00 0.00 0.00 175.76 176.89 3iwc s THR 40 N -2.56 5.13 -0.08 0.00 2.01 0.16 -4.55 115.64 115.75 3iwc s THR 40 Ca 0.60 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 3iwc s THR 40 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3iwc s THR 40 CO 0.30 0.46 0.67 -0.63 -0.69 0.00 0.00 174.62 174.73 3iwc s ILE 41 N -0.25 5.07 -0.25 1.82 1.01 -1.26 -0.39 121.20 126.95 3iwc s ILE 41 Ca 0.23 1.37 -0.15 0.00 0.00 0.00 0.00 60.65 62.10 3iwc s ILE 41 Cb -0.15 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3iwc s ILE 41 CO 0.11 0.26 -0.32 0.52 0.00 0.00 0.00 174.94 175.51 3iwc n VAL 42 N 3.80 1.52 -3.85 2.92 0.31 0.78 -4.92 118.33 118.88 3iwc n VAL 42 Ca -0.02 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 3iwc n VAL 42 Cb 0.51 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 3iwc n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3iwc s THR 43 N -2.57 0.03 -0.15 2.52 -1.32 -0.96 -5.00 115.64 108.19 3iwc s THR 43 Ca -0.36 -1.07 -0.10 0.00 -1.21 0.00 0.00 61.69 58.95 3iwc s THR 43 Cb 0.12 -1.80 0.05 0.00 -1.51 0.00 0.00 72.50 69.36 3iwc s THR 43 CO 0.48 -0.13 0.37 -0.55 -2.21 0.00 0.00 174.62 172.58 3iwc s SER 44 N -2.93 -0.43 -0.14 8.08 0.15 -1.26 -1.12 113.70 116.06 3iwc s SER 44 Ca 0.14 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 3iwc s SER 44 Cb -0.00 0.71 0.06 0.00 -1.71 0.00 0.00 66.02 65.08 3iwc s SER 44 CO 0.01 -0.17 0.30 0.28 1.20 0.00 0.00 173.24 174.86 3iwc s THR 45 N 0.94 -0.28 -0.04 6.45 -1.32 -0.69 -5.02 115.64 115.68 3iwc s THR 45 Ca -0.06 0.20 0.04 0.00 -1.21 0.00 0.00 61.69 60.66 3iwc s THR 45 Cb -0.07 -0.48 -0.00 0.00 -1.51 0.00 0.00 72.50 70.44 3iwc s THR 45 CO -0.07 0.08 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.90 3iwc s PHE 46 N 1.95 1.60 -0.04 9.09 0.08 -1.26 -1.55 117.98 127.85 3iwc s PHE 46 Ca -0.04 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 56.62 3iwc s PHE 46 Cb -0.11 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.24 3iwc s PHE 46 CO -0.10 -0.15 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.08 3iwc s HIS 47 N 0.04 2.51 -0.29 0.36 5.65 0.69 -5.00 115.29 119.25 3iwc s HIS 47 Ca -0.03 -0.41 -0.08 0.00 0.25 0.00 0.00 55.06 54.79 3iwc s HIS 47 Cb -0.11 -1.58 -0.01 0.00 -1.18 0.00 0.00 32.58 29.70 3iwc s HIS 47 CO 0.02 -0.01 0.11 0.50 -0.65 0.00 0.00 174.74 174.72 3iwc s ARG 48 N -0.51 3.40 0.23 2.88 3.00 -1.26 -1.52 118.95 125.18 3iwc s ARG 48 Ca 0.07 -0.66 -0.07 0.00 -1.00 0.00 0.00 55.73 54.07 3iwc s ARG 48 Cb -0.11 -3.45 -0.06 0.00 0.00 0.00 0.00 34.95 31.32 3iwc s ARG 48 CO 0.01 -0.34 0.52 -0.06 0.00 0.00 0.00 175.30 175.42 3iwc s PHE 49 N 1.60 3.45 0.05 5.12 0.08 -0.59 -5.02 117.98 122.67 3iwc s PHE 49 Ca 0.05 0.72 0.06 0.00 0.12 0.00 0.00 56.93 57.88 3iwc s PHE 49 Cb -0.16 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 3iwc s PHE 49 CO 0.05 0.27 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.79 3iwc s LEU 50 N -3.07 2.86 0.49 -0.37 1.43 -1.26 -2.95 118.68 115.81 3iwc s LEU 50 Ca 0.45 -0.35 0.28 0.00 -1.03 0.00 0.00 54.13 53.48 3iwc s LEU 50 Cb -0.11 -1.67 1.15 0.00 0.03 0.00 0.00 46.19 45.59 3iwc s LEU 50 CO 0.25 0.24 1.92 1.55 0.23 0.00 0.00 176.35 180.54 3iwc h PRO 51 N 4.28 0.00 -3.53 1.29 0.13 -2.07 -3.48 132.00 128.62 3iwc h PRO 51 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3iwc h PRO 51 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 3iwc h PRO 51 CO 0.50 0.14 -0.11 1.52 -0.23 0.00 0.00 178.00 179.82 3iwc s TYR 52 N -3.73 0.08 0.00 1.56 1.13 -1.15 -5.16 117.35 110.08 3iwc s TYR 52 Ca 0.00 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 3iwc s TYR 52 Cb 0.10 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 3iwc s TYR 52 CO 0.60 -0.84 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 3iwc n GLY 53 N -0.29 3.47 3.06 5.49 0.00 -1.24 -4.63 105.19 111.05 3iwc n GLY 53 Ca -0.09 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 3iwc n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwc s VAL 54 N -2.00 -0.03 0.01 1.61 1.01 -1.26 -1.54 120.40 118.21 3iwc s VAL 54 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.19 3iwc s VAL 54 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3iwc s VAL 54 CO 0.00 0.05 -0.26 -0.44 0.00 0.00 0.00 175.10 174.45 3iwc s SER 55 N 1.09 3.14 -0.11 3.32 0.01 -0.58 -5.00 113.70 115.58 3iwc s SER 55 Ca -0.08 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 3iwc s SER 55 Cb -0.09 -0.33 0.08 0.00 0.21 0.00 0.00 66.02 65.89 3iwc s SER 55 CO -0.07 0.29 0.74 -0.83 0.41 0.00 0.00 173.24 173.77 3iwc s GLY 56 N -0.95 -0.52 -0.03 3.44 0.00 -1.26 -0.22 107.32 107.77 3iwc s GLY 56 Ca 0.11 1.56 -0.02 0.00 0.00 0.00 0.00 44.72 46.37 3iwc s GLY 56 CO 0.01 1.12 0.08 0.54 0.00 0.00 0.00 173.10 174.84 3iwc s VAL 57 N -0.89 -0.01 -0.27 1.40 0.11 -0.59 -5.01 120.40 115.14 3iwc s VAL 57 Ca -0.08 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3iwc s VAL 57 Cb -0.01 -0.12 0.07 0.00 -1.53 0.00 0.00 36.38 34.78 3iwc s VAL 57 CO 0.07 0.02 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.09 3iwc s VAL 58 N 0.33 2.11 -0.11 2.04 1.01 -1.26 -1.71 120.40 122.82 3iwc s VAL 58 Ca -0.02 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 3iwc s VAL 58 Cb -0.04 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3iwc s VAL 58 CO -0.01 -0.12 0.98 -0.69 0.00 0.00 0.00 175.10 175.26 3iwc s VAL 59 N 1.11 4.80 0.44 2.92 1.01 -0.27 -4.95 120.40 125.46 3iwc s VAL 59 Ca -0.06 1.98 0.05 0.00 0.00 0.00 0.00 61.98 63.94 3iwc s VAL 59 Cb -0.20 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 3iwc s VAL 59 CO -0.06 0.02 0.01 0.27 0.00 0.00 0.00 175.10 175.34 3iwc s ILE 60 N 1.97 1.60 0.24 2.22 -4.36 -1.26 -0.16 121.20 121.46 3iwc s ILE 60 Ca 0.47 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3iwc s ILE 60 Cb -0.18 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 3iwc s ILE 60 CO 0.17 0.00 0.25 -0.94 0.24 0.00 0.00 174.94 174.66 3iwc s SER 61 N -3.76 0.37 0.00 4.36 1.04 0.48 -4.81 113.70 111.38 3iwc s SER 61 Ca 0.24 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3iwc s SER 61 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3iwc s SER 61 CO 0.12 -0.97 0.11 -0.62 0.98 0.00 0.00 173.24 172.86