#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 0.91 0.26 3.14 1.04 -1.26 -5.05 113.70 112.74 3iwc s SER 3 Ca 0.00 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 3iwc s SER 3 Cb 0.00 0.10 0.32 0.00 0.10 0.00 0.00 66.02 66.54 3iwc s SER 3 CO 0.00 -0.41 1.81 -0.07 0.98 0.00 0.00 173.24 175.55 3iwc h LEU 4 N 3.47 0.89 -8.35 2.42 3.38 -2.13 -3.45 115.31 111.54 3iwc h LEU 4 Ca -0.35 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.31 3iwc h LEU 4 Cb 1.17 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 3iwc h LEU 4 CO 0.58 0.83 -0.63 -0.83 0.09 0.00 0.00 178.44 178.48 3iwc s GLY 5 N -3.53 0.83 -0.10 0.83 0.00 -1.26 -5.14 107.32 98.95 3iwc s GLY 5 Ca -0.11 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.28 3iwc s GLY 5 CO 0.81 -1.31 -0.18 0.50 0.00 0.00 0.00 173.10 172.92 3iwc s ARG 6 N -4.01 3.05 -0.15 2.90 0.52 -1.26 -5.12 118.95 114.88 3iwc s ARG 6 Ca 0.20 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 3iwc s ARG 6 Cb 0.07 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.16 3iwc s ARG 6 CO -0.01 0.28 -0.03 -1.58 0.02 0.00 0.00 175.30 173.98 3iwc s HIS 7 N 0.14 1.42 -0.23 -0.53 2.46 -1.26 -5.11 115.29 112.17 3iwc s HIS 7 Ca -0.10 -0.88 -0.14 0.00 0.47 0.00 0.00 55.06 54.41 3iwc s HIS 7 Cb -0.16 -1.18 -0.04 0.00 -0.13 0.00 0.00 32.58 31.07 3iwc s HIS 7 CO 0.06 -0.56 0.31 -0.51 -2.47 0.00 0.00 174.74 171.56 3iwc s LEU 8 N 1.73 4.11 -0.37 8.88 1.43 -1.26 -5.04 118.68 128.16 3iwc s LEU 8 Ca 0.01 0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 3iwc s LEU 8 Cb -0.15 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.77 3iwc s LEU 8 CO -0.07 -0.06 0.17 -0.69 0.23 0.00 0.00 176.35 175.93 3iwc s VAL 9 N 1.44 3.99 0.03 -1.59 1.01 -1.26 -5.08 120.40 118.94 3iwc s VAL 9 Ca 0.14 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.96 3iwc s VAL 9 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3iwc s VAL 9 CO 0.08 -0.31 -0.17 0.00 0.00 0.00 0.00 175.10 174.70 3iwc s ALA 10 N 1.41 2.65 -0.20 5.51 0.00 -1.26 -5.11 121.76 124.76 3iwc s ALA 10 Ca 0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3iwc s ALA 10 Cb -0.21 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3iwc s ALA 10 CO 0.03 0.58 -0.09 -1.21 0.00 0.00 0.00 175.76 175.07 3iwc s GLU 11 N -1.41 3.28 -0.23 0.00 0.41 -1.26 -5.10 118.70 114.38 3iwc s GLU 11 Ca 0.15 -0.68 -0.05 0.00 -0.41 0.00 0.00 54.97 53.97 3iwc s GLU 11 Cb -0.11 -2.87 -0.02 0.00 -1.78 0.00 0.00 34.13 29.35 3iwc s GLU 11 CO 0.05 -0.18 0.01 -0.06 -0.49 0.00 0.00 175.26 174.59 3iwc s PHE 12 N 1.37 3.02 0.17 1.61 2.99 -1.26 -5.11 117.98 120.77 3iwc s PHE 12 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 56.93 56.42 3iwc s PHE 12 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 43.02 40.69 3iwc s PHE 12 CO -0.05 -0.41 -0.06 0.71 -0.00 0.00 0.00 175.22 175.41 3iwc s TYR 13 N 1.41 2.73 -1.24 0.36 2.02 -1.26 -4.74 117.35 116.64 3iwc s TYR 13 Ca 0.05 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 3iwc s TYR 13 Cb -0.15 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 3iwc s TYR 13 CO 0.00 0.50 0.68 0.39 -1.57 0.00 0.00 175.55 175.56 3iwc n GLU 14 N 0.07 -2.44 -2.39 -0.62 1.02 -1.26 -4.98 120.64 110.03 3iwc n GLU 14 Ca -0.11 0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 57.27 3iwc n GLU 14 Cb 0.55 -4.46 0.10 0.00 -0.02 0.00 0.00 31.44 27.61 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 -4.66 6.11 0.45 0.00 -1.08 -1.26 -4.87 116.67 111.35 3iwc s ASP 16 Ca 0.65 0.58 0.12 0.00 -0.52 0.00 0.00 52.55 53.38 3iwc s ASP 16 Cb -0.07 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 3iwc s ASP 16 CO 0.45 -1.67 2.05 0.03 0.52 0.00 0.00 175.17 176.56 3iwc h ARG 17 N 11.45 0.35 -0.61 4.34 3.08 -1.99 -0.87 114.38 130.13 3iwc h ARG 17 Ca -0.28 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 3iwc h ARG 17 Cb 1.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3iwc h ARG 17 CO 1.13 0.23 0.02 0.93 -1.07 0.00 0.00 179.97 181.22 3iwc h GLU 18 N 0.36 1.06 -0.30 0.04 5.08 -1.97 -2.36 114.58 116.49 3iwc h GLU 18 Ca 0.16 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 3iwc h GLU 18 Cb 0.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3iwc h GLU 18 CO -0.04 1.03 -0.28 0.28 -1.00 0.00 0.00 179.01 179.00 3iwc h VAL 19 N 0.96 1.28 0.00 3.13 2.07 -1.65 -2.93 116.25 119.11 3iwc h VAL 19 Ca 0.18 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3iwc h VAL 19 Cb 0.53 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3iwc h VAL 19 CO 0.03 0.44 -0.23 -0.07 0.02 0.00 0.00 177.57 177.76 3iwc h LEU 20 N 0.53 0.00 -3.61 2.57 3.38 -0.88 -2.79 115.31 114.51 3iwc h LEU 20 Ca 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3iwc h LEU 20 Cb 0.76 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 3iwc h LEU 20 CO 0.06 0.23 0.16 -0.67 0.09 0.00 0.00 178.44 178.31 3iwc n ASP 21 N -3.88 4.69 -4.10 -0.43 2.03 -0.92 -4.17 116.55 109.77 3iwc n ASP 21 Ca -0.02 -3.18 -0.36 0.00 0.52 0.00 0.00 54.79 51.75 3iwc n ASP 21 Cb 0.32 -0.70 -0.11 0.00 -0.72 0.00 0.00 41.12 39.91 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 -1.25 5.20 0.41 1.67 3.84 -1.06 -4.85 114.94 118.90 3iwc s ASN 22 Ca 0.52 -2.23 0.07 0.00 0.21 0.00 0.00 52.86 51.43 3iwc s ASN 22 Cb 0.42 -1.82 0.86 0.00 -0.55 0.00 0.00 41.25 40.16 3iwc s ASN 22 CO 0.12 -0.49 2.05 1.62 -2.79 0.00 0.00 177.10 177.62 3iwc h VAL 23 N 6.13 1.11 -0.06 -5.21 3.04 -1.87 -1.82 116.25 117.57 3iwc h VAL 23 Ca -0.10 -0.21 -0.14 0.00 -1.01 0.00 0.00 66.70 65.24 3iwc h VAL 23 Cb 1.02 0.54 0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3iwc h VAL 23 CO 0.69 0.11 -0.50 1.56 -1.01 0.00 0.00 177.57 178.41 3iwc h GLN 24 N 0.53 0.45 -0.07 4.17 4.20 -1.96 -2.81 115.11 119.63 3iwc h GLN 24 Ca 0.14 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 3iwc h GLN 24 Cb -0.04 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3iwc h GLN 24 CO -0.03 1.05 0.04 1.25 -0.67 0.00 0.00 178.83 180.46 3iwc h LEU 25 N 0.00 0.09 -0.80 1.46 5.85 -1.88 -2.04 115.31 117.99 3iwc h LEU 25 Ca -0.04 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.72 3iwc h LEU 25 Cb 1.17 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 3iwc h LEU 25 CO 0.10 0.15 0.39 0.40 -0.34 0.00 0.00 178.44 179.14 3iwc h ILE 26 N 0.01 0.74 -0.78 4.05 1.08 -1.40 0.58 117.51 121.79 3iwc h ILE 26 Ca 0.02 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 3iwc h ILE 26 Cb 0.09 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.91 3iwc h ILE 26 CO -0.00 0.11 0.41 -0.08 -0.69 0.00 0.00 178.15 177.90 3iwc h GLU 27 N 0.58 1.10 0.31 2.37 4.81 -1.20 0.74 114.58 123.29 3iwc h GLU 27 Ca 0.42 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3iwc h GLU 27 Cb 0.57 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3iwc h GLU 27 CO -0.35 0.83 -0.15 1.96 -0.73 0.00 0.00 179.01 180.57 3iwc h GLN 28 N 1.09 -0.40 -0.27 1.92 4.20 -0.25 -1.95 115.11 119.45 3iwc h GLN 28 Ca 0.27 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 3iwc h GLN 28 Cb 0.06 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3iwc h GLN 28 CO -0.04 -0.21 0.14 0.93 -0.67 0.00 0.00 178.83 178.98 3iwc h GLU 29 N -0.52 0.38 -0.92 1.46 4.39 -0.93 -0.13 114.58 118.31 3iwc h GLU 29 Ca -0.04 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.68 3iwc h GLU 29 Cb 0.39 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 3iwc h GLU 29 CO 0.07 0.36 0.60 0.52 -1.16 0.00 0.00 179.01 179.40 3iwc h MET 30 N 0.31 1.01 -0.23 2.33 2.86 -0.85 0.37 114.93 120.73 3iwc h MET 30 Ca 0.09 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 3iwc h MET 30 Cb 0.09 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.53 3iwc h MET 30 CO -0.01 0.67 -0.65 0.87 1.06 0.00 0.00 176.91 178.84 3iwc h LYS 31 N 1.04 0.85 -0.48 1.72 1.57 -1.05 -2.18 116.57 118.04 3iwc h LYS 31 Ca 0.40 -0.60 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3iwc h LYS 31 Cb 0.22 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3iwc h LYS 31 CO -0.16 1.23 -0.07 0.37 -0.57 0.00 0.00 179.45 180.25 3iwc h GLN 32 N 0.62 0.84 -0.95 3.15 5.75 0.35 -1.66 115.11 123.21 3iwc h GLN 32 Ca -0.02 -0.27 0.10 0.00 -0.15 0.00 0.00 58.65 58.31 3iwc h GLN 32 Cb 1.27 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.67 3iwc h GLN 32 CO 0.14 0.89 0.59 0.00 -2.65 0.00 0.00 178.83 177.80 3iwc h ALA 33 N 1.15 1.39 -0.61 3.38 0.00 -0.18 0.45 119.26 124.84 3iwc h ALA 33 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3iwc h ALA 33 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3iwc h ALA 33 CO 0.03 0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.74 3iwc h ALA 34 N 1.49 0.79 -0.07 0.00 0.00 -0.69 -1.71 119.26 119.08 3iwc h ALA 34 Ca 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iwc h ALA 34 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iwc h ALA 34 CO -0.23 0.45 0.02 -0.92 0.00 0.00 0.00 179.25 178.57 3iwc h TYR 35 N 0.86 0.10 -0.70 0.00 3.20 -0.16 -2.84 116.97 117.44 3iwc h TYR 35 Ca 0.20 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.21 3iwc h TYR 35 Cb 0.26 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3iwc h TYR 35 CO 0.02 0.26 0.48 0.93 -1.64 0.00 0.00 178.16 178.20 3iwc h GLU 36 N -0.08 0.30 0.00 1.82 4.39 0.07 0.78 114.58 121.88 3iwc h GLU 36 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iwc h GLU 36 Cb 0.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3iwc h GLU 36 CO -0.00 0.20 0.00 0.66 -1.16 0.00 0.00 179.01 178.71 3iwc h SER 37 N 0.31 0.00 0.00 1.42 4.64 -1.08 -3.47 113.55 115.37 3iwc h SER 37 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3iwc h SER 37 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3iwc h SER 37 CO -0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 3iwc n GLY 38 N 1.13 0.20 3.84 -0.77 0.00 0.27 -5.06 105.19 104.80 3iwc n GLY 38 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.90 -0.20 4.61 0.00 -1.13 -5.02 121.76 120.92 3iwc s ALA 39 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 3iwc s ALA 39 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3iwc s ALA 39 CO 0.00 -0.84 0.10 0.99 0.00 0.00 0.00 175.76 176.01 3iwc s THR 40 N -2.96 5.01 0.01 0.00 2.01 -0.99 -4.55 115.64 114.17 3iwc s THR 40 Ca 0.58 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 3iwc s THR 40 Cb -0.13 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3iwc s THR 40 CO 0.49 0.43 0.86 -0.63 -0.69 0.00 0.00 174.62 175.08 3iwc s ILE 41 N 0.55 4.84 -0.21 1.82 1.01 -1.26 -1.38 121.20 126.56 3iwc s ILE 41 Ca 0.05 1.81 -0.17 0.00 0.00 0.00 0.00 60.65 62.34 3iwc s ILE 41 Cb -0.12 -4.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.01 3iwc s ILE 41 CO 0.01 0.25 -0.05 0.52 0.00 0.00 0.00 174.94 175.66 3iwc n VAL 42 N 3.48 1.51 -3.79 2.92 0.31 0.12 -4.96 118.33 117.93 3iwc n VAL 42 Ca 0.02 -0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 3iwc n VAL 42 Cb 0.51 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.43 0.00 -0.16 2.52 -1.32 -1.18 -5.02 115.64 108.05 3iwc s THR 43 Ca -0.29 -0.82 -0.16 0.00 -1.21 0.00 0.00 61.69 59.20 3iwc s THR 43 Cb 0.08 -1.85 0.04 0.00 -1.51 0.00 0.00 72.50 69.26 3iwc s THR 43 CO 0.49 0.00 0.45 -0.94 -2.21 0.00 0.00 174.62 172.41 3iwc s SER 44 N -2.89 -0.46 -0.05 8.08 1.04 -1.26 -0.70 113.70 117.46 3iwc s SER 44 Ca 0.10 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 3iwc s SER 44 Cb -0.05 0.88 0.03 0.00 0.10 0.00 0.00 66.02 66.98 3iwc s SER 44 CO 0.04 -0.18 0.01 0.28 0.98 0.00 0.00 173.24 174.36 3iwc s THR 45 N 0.11 0.24 -0.00 2.02 -1.32 -0.36 -5.00 115.64 111.33 3iwc s THR 45 Ca -0.01 0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.71 3iwc s THR 45 Cb -0.03 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.55 3iwc s THR 45 CO 0.01 0.21 -0.25 -0.36 -2.21 0.00 0.00 174.62 172.02 3iwc s PHE 46 N 1.68 2.27 0.03 9.09 0.08 -1.26 -1.54 117.98 128.33 3iwc s PHE 46 Ca -0.00 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3iwc s PHE 46 Cb -0.13 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3iwc s PHE 46 CO -0.03 0.01 -0.06 -1.58 -0.10 0.00 0.00 175.22 173.46 3iwc s HIS 47 N -0.66 0.49 -0.07 0.36 5.65 0.26 -5.01 115.29 116.32 3iwc s HIS 47 Ca 0.10 -0.51 0.05 0.00 0.25 0.00 0.00 55.06 54.95 3iwc s HIS 47 Cb -0.10 -0.31 -0.01 0.00 -1.18 0.00 0.00 32.58 30.98 3iwc s HIS 47 CO -0.00 -0.13 -0.23 -0.98 -0.65 0.00 0.00 174.74 172.75 3iwc s ARG 48 N -1.53 2.68 0.45 2.88 1.70 -1.26 -1.23 118.95 122.64 3iwc s ARG 48 Ca -0.13 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.30 3iwc s ARG 48 Cb -0.10 -2.23 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 3iwc s ARG 48 CO -0.00 0.36 0.64 -0.06 -1.08 0.00 0.00 175.30 175.16 3iwc s PHE 49 N -0.10 3.00 0.07 5.89 0.08 0.87 -5.00 117.98 122.79 3iwc s PHE 49 Ca -0.05 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 56.99 3iwc s PHE 49 Cb -0.14 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 3iwc s PHE 49 CO 0.04 -0.47 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.36 3iwc s LEU 50 N -4.50 2.24 0.13 -0.37 2.96 -1.26 -3.07 118.68 114.80 3iwc s LEU 50 Ca 0.52 -0.58 0.16 0.00 -0.22 0.00 0.00 54.13 54.00 3iwc s LEU 50 Cb -0.10 -0.69 0.70 0.00 0.50 0.00 0.00 46.19 46.60 3iwc s LEU 50 CO 0.36 0.01 1.49 -0.81 -1.32 0.00 0.00 176.35 176.08 3iwc n PRO 51 N 1.45 0.08 -3.55 0.98 -0.04 -1.26 -4.98 135.00 127.68 3iwc n PRO 51 Ca -0.19 0.40 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 3iwc n PRO 51 Cb 0.54 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 3iwc n PRO 51 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3iwc s TYR 52 N -3.18 -0.32 0.00 0.54 -0.00 -1.17 -5.17 117.35 108.05 3iwc s TYR 52 Ca 0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.07 57.25 3iwc s TYR 52 Cb 0.07 0.56 0.00 0.00 -0.00 0.00 0.00 41.96 42.59 3iwc s TYR 52 CO 0.25 -0.63 0.00 0.41 -0.00 0.00 0.00 175.55 175.58 3iwc n GLY 53 N -0.30 3.72 3.05 5.49 0.00 -1.25 -4.59 105.19 111.31 3iwc n GLY 53 Ca -0.09 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.43 0.71 -0.02 1.61 1.01 -1.26 -0.09 120.40 120.92 3iwc s VAL 54 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3iwc s VAL 54 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3iwc s VAL 54 CO 0.00 -0.02 -0.09 -0.44 0.00 0.00 0.00 175.10 174.55 3iwc s SER 55 N -0.79 1.18 -0.07 3.32 0.01 -0.36 -4.98 113.70 112.01 3iwc s SER 55 Ca -0.01 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 3iwc s SER 55 Cb -0.06 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.90 3iwc s SER 55 CO 0.00 0.07 0.36 -0.83 0.41 0.00 0.00 173.24 173.25 3iwc s GLY 56 N 0.17 -0.23 -0.02 3.44 0.00 -1.26 -0.57 107.32 108.85 3iwc s GLY 56 Ca -0.03 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.39 3iwc s GLY 56 CO 0.00 0.50 -0.01 0.14 0.00 0.00 0.00 173.10 173.73 3iwc s VAL 57 N -0.69 0.22 -0.24 1.40 1.01 -0.59 -5.01 120.40 116.51 3iwc s VAL 57 Ca -0.08 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3iwc s VAL 57 Cb -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.13 3iwc s VAL 57 CO 0.03 0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.44 3iwc s VAL 58 N 0.62 2.08 -0.00 2.92 1.01 -1.26 -1.22 120.40 124.55 3iwc s VAL 58 Ca -0.06 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 3iwc s VAL 58 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3iwc s VAL 58 CO -0.01 0.08 0.77 -0.69 0.00 0.00 0.00 175.10 175.26 3iwc s VAL 59 N 1.17 4.87 0.47 2.92 1.01 0.13 -5.00 120.40 125.97 3iwc s VAL 59 Ca -0.06 1.63 0.02 0.00 0.00 0.00 0.00 61.98 63.57 3iwc s VAL 59 Cb -0.18 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3iwc s VAL 59 CO -0.07 0.29 0.07 0.27 0.00 0.00 0.00 175.10 175.66 3iwc s ILE 60 N 0.42 0.84 0.26 2.22 -4.36 -1.26 0.16 121.20 119.48 3iwc s ILE 60 Ca 0.40 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.67 3iwc s ILE 60 Cb -0.20 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 3iwc s ILE 60 CO 0.22 0.00 0.50 -0.94 0.24 0.00 0.00 174.94 174.96 3iwc s SER 61 N -3.75 0.01 0.00 4.36 1.04 -0.48 -4.81 113.70 110.07 3iwc s SER 61 Ca 0.14 -0.99 0.31 0.00 0.48 0.00 0.00 55.95 55.89 3iwc s SER 61 Cb 0.02 0.61 1.71 0.00 0.10 0.00 0.00 66.02 68.45 3iwc s SER 61 CO 0.08 -1.19 2.12 -0.62 0.98 0.00 0.00 173.24 174.61