#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wew s SER 2 N 0.00 3.28 -0.03 1.61 0.01 -1.26 -5.11 113.70 112.20 1wew s SER 2 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1wew s SER 2 Cb 0.00 -0.85 0.03 0.00 0.21 0.00 0.00 66.02 65.41 1wew s SER 2 CO 0.00 -0.27 0.01 -0.55 0.41 0.00 0.00 173.24 172.84 1wew s SER 3 N 1.66 0.42 0.15 2.44 0.15 -1.26 -5.14 113.70 112.12 1wew s SER 3 Ca -0.03 -0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.41 1wew s SER 3 Cb -0.18 -0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.01 1wew s SER 3 CO -0.07 -0.12 0.96 0.61 1.20 0.00 0.00 173.24 175.82 1wew n GLY 4 N 4.23 0.62 2.78 9.45 0.00 -1.26 -5.12 105.19 115.90 1wew n GLY 4 Ca -0.25 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1wew n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wew s SER 5 N -3.24 3.84 0.12 1.61 0.01 -1.26 -5.10 113.70 109.68 1wew s SER 5 Ca 0.21 -2.83 -0.35 0.00 1.31 0.00 0.00 55.95 54.29 1wew s SER 5 Cb -0.02 -1.22 -0.16 0.00 0.21 0.00 0.00 66.02 64.82 1wew s SER 5 CO 0.04 -0.24 1.29 -0.24 0.41 0.00 0.00 173.24 174.50 1wew n SER 6 N 3.30 1.58 -4.37 2.44 2.88 -1.26 -4.97 113.62 113.21 1wew n SER 6 Ca 0.09 1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 58.51 1wew n SER 6 Cb 0.34 -1.21 -0.09 0.00 -0.75 0.00 0.00 64.21 62.50 1wew n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wew s GLY 7 N 0.33 2.37 0.25 0.46 0.00 -1.26 -5.13 107.32 104.34 1wew s GLY 7 Ca 0.80 -1.62 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1wew s GLY 7 CO 0.48 -1.87 1.11 1.85 0.00 0.00 0.00 173.10 174.67 1wew s GLU 8 N -3.82 4.62 -0.01 2.90 2.12 -1.26 -5.05 118.70 118.20 1wew s GLU 8 Ca 0.29 1.79 0.05 0.00 0.36 0.00 0.00 54.97 57.46 1wew s GLU 8 Cb 0.06 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1wew s GLU 8 CO 0.14 0.16 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.36 1wew s ASP 9 N -0.64 1.76 0.00 -1.70 1.11 -1.26 -5.01 116.67 110.94 1wew s ASP 9 Ca 0.46 -0.29 0.11 0.00 0.18 0.00 0.00 52.55 53.01 1wew s ASP 9 Cb -0.31 -0.19 0.66 0.00 1.07 0.00 0.00 42.92 44.14 1wew s ASP 9 CO 0.39 0.17 1.09 -0.81 1.18 0.00 0.00 175.17 177.20 1wew n PRO 10 N 2.64 0.49 -0.88 8.23 -0.04 -1.26 -3.55 135.00 140.62 1wew n PRO 10 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 1wew n PRO 10 Cb 0.55 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1wew n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wew n PHE 11 N -0.85 1.57 -1.44 0.54 3.01 -1.26 -4.95 117.46 114.08 1wew n PHE 11 Ca 0.08 -1.94 -0.47 0.00 1.01 0.00 0.00 57.45 56.13 1wew n PHE 11 Cb 0.04 -0.94 -0.09 0.00 -0.01 0.00 0.00 39.48 38.47 1wew n PHE 11 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1wew n GLN 12 N 0.28 0.59 -1.12 -1.08 1.13 -1.23 -4.90 117.38 111.04 1wew n GLN 12 Ca 0.31 0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 55.18 1wew n GLN 12 Cb 0.61 -2.20 0.21 0.00 0.11 0.00 0.00 30.24 28.97 1wew n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wew s PRO 13 N 7.32 -0.46 -0.14 -1.09 0.04 -1.26 -4.89 135.00 134.51 1wew s PRO 13 Ca 1.17 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1wew s PRO 13 Cb -0.96 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1wew s PRO 13 CO 0.48 -3.26 2.70 0.39 0.04 0.00 0.00 177.00 177.35 1wew n GLU 14 N -4.49 1.75 -3.83 4.56 1.02 -1.26 -4.88 120.64 113.50 1wew n GLU 14 Ca 0.09 -1.07 -0.35 0.00 -0.02 0.00 0.00 57.16 55.82 1wew n GLU 14 Cb 0.58 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.25 1wew n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wew s ILE 15 N -0.50 5.21 -0.02 -3.67 1.01 -1.26 -4.74 121.20 117.23 1wew s ILE 15 Ca 0.40 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.21 1wew s ILE 15 Cb 0.23 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1wew s ILE 15 CO -0.04 0.46 0.09 1.17 0.00 0.00 0.00 174.94 176.62 1wew n LYS 16 N 3.39 1.00 -4.33 2.79 3.00 -1.26 -4.99 118.16 117.76 1wew n LYS 16 Ca -0.16 -0.04 -0.36 0.00 -0.00 0.00 0.00 58.31 57.75 1wew n LYS 16 Cb 0.52 -1.13 -0.06 0.00 0.00 0.00 0.00 35.03 34.36 1wew n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1wew n VAL 17 N -1.82 -0.91 0.43 3.15 0.31 -1.26 -4.77 118.33 113.46 1wew n VAL 17 Ca -0.03 -0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.06 1wew n VAL 17 Cb 0.28 -1.21 0.03 0.00 -0.91 0.00 0.00 33.84 32.03 1wew n VAL 17 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1wew n ARG 18 N -4.32 1.22 -0.63 5.55 3.00 -1.24 -3.86 116.66 116.37 1wew n ARG 18 Ca -0.06 -0.51 -0.31 0.00 -0.00 0.00 0.00 57.85 56.97 1wew n ARG 18 Cb 0.55 -1.20 0.19 0.00 0.00 0.00 0.00 32.46 32.01 1wew n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wew h VAL 20 N -2.16 1.27 -1.62 0.00 -1.51 -1.95 -2.91 116.25 107.37 1wew h VAL 20 Ca -0.53 -1.25 0.47 0.00 -1.23 0.00 0.00 66.70 64.15 1wew h VAL 20 Cb 1.33 1.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.61 1wew h VAL 20 CO 0.41 0.42 1.21 0.00 -1.23 0.00 0.00 177.57 178.39 1wew n GLY 22 N -1.85 -0.19 0.01 0.00 0.00 -1.10 -4.90 105.19 97.16 1wew n GLY 22 Ca 0.36 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1wew n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wew n ASN 23 N -0.90 0.59 -2.37 1.61 4.05 -1.26 -4.98 115.26 112.00 1wew n ASN 23 Ca -0.13 -0.12 -0.15 0.00 0.45 0.00 0.00 54.58 54.62 1wew n ASN 23 Cb 0.61 1.78 -0.01 0.00 1.23 0.00 0.00 39.78 43.39 1wew n ASN 23 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1wew n SER 24 N -2.08 -4.46 -4.93 1.20 3.41 -1.25 -4.95 113.62 100.55 1wew n SER 24 Ca -0.03 0.15 -0.21 0.00 -0.26 0.00 0.00 58.87 58.53 1wew n SER 24 Cb 0.48 -3.78 -0.02 0.00 -0.26 0.00 0.00 64.21 60.63 1wew n SER 24 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1wew s LEU 25 N -5.63 3.98 0.09 1.04 0.05 -1.26 -4.93 118.68 112.02 1wew s LEU 25 Ca 0.00 -0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.06 1wew s LEU 25 Cb 0.00 -2.61 -0.04 0.00 -2.05 0.00 0.00 46.19 41.49 1wew s LEU 25 CO 0.00 -0.23 -0.01 -1.61 -0.55 0.00 0.00 176.35 173.94 1wew s GLU 26 N -4.02 2.50 0.19 1.48 8.01 -1.26 -4.94 118.70 120.66 1wew s GLU 26 Ca 0.39 -0.86 0.03 0.00 0.01 0.00 0.00 54.97 54.53 1wew s GLU 26 Cb -0.08 -2.51 -0.05 0.00 -4.31 0.00 0.00 34.13 27.18 1wew s GLU 26 CO 0.28 0.54 -0.02 0.95 0.01 0.00 0.00 175.26 177.02 1wew s THR 27 N -1.30 0.92 0.57 3.63 -4.23 -1.26 -5.02 115.64 108.95 1wew s THR 27 Ca 0.25 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 59.03 1wew s THR 27 Cb -0.12 -2.17 0.40 0.00 1.34 0.00 0.00 72.50 71.95 1wew s THR 27 CO 0.18 -0.46 1.92 -2.24 -0.54 0.00 0.00 174.62 173.48 1wew h ASP 28 N 2.61 0.00 -3.87 3.99 2.03 -2.05 -3.38 116.42 115.75 1wew h ASP 28 Ca -0.37 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.28 1wew h ASP 28 Cb 1.21 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.39 1wew h ASP 28 CO 0.64 0.00 -0.87 -0.44 -1.03 0.00 0.00 179.24 177.54 1wew s SER 29 N -5.42 2.79 -0.08 4.15 0.01 -1.26 -5.12 113.70 108.76 1wew s SER 29 Ca -0.04 -0.47 -0.31 0.00 1.31 0.00 0.00 55.95 56.44 1wew s SER 29 Cb 0.17 -0.86 0.08 0.00 0.21 0.00 0.00 66.02 65.62 1wew s SER 29 CO 0.60 0.20 0.75 -0.04 0.41 0.00 0.00 173.24 175.17 1wew s MET 30 N -0.01 0.95 -0.08 12.44 -1.94 -1.26 -3.67 119.30 125.73 1wew s MET 30 Ca -0.06 0.26 0.03 0.00 -1.71 0.00 0.00 55.69 54.21 1wew s MET 30 Cb -0.14 0.45 0.01 0.00 2.01 0.00 0.00 34.83 37.16 1wew s MET 30 CO 0.04 -0.29 -0.17 0.96 -0.01 0.00 0.00 175.02 175.55 1wew s ILE 31 N -1.12 1.55 0.33 2.53 -4.36 -0.98 -4.86 121.20 114.29 1wew s ILE 31 Ca -0.09 -0.72 -0.23 0.00 -0.26 0.00 0.00 60.65 59.36 1wew s ILE 31 Cb -0.00 -1.38 -0.10 0.00 1.25 0.00 0.00 42.46 42.23 1wew s ILE 31 CO 0.08 0.45 0.89 -1.58 0.24 0.00 0.00 174.94 175.01 1wew s GLN 32 N 0.57 4.40 0.65 0.37 2.00 -1.26 -1.01 119.66 125.38 1wew s GLN 32 Ca -0.15 1.14 -0.13 0.00 -2.00 0.00 0.00 55.36 54.22 1wew s GLN 32 Cb -0.17 -2.65 -0.01 0.00 0.80 0.00 0.00 33.01 30.98 1wew s GLN 32 CO 0.05 0.22 1.05 0.00 -0.50 0.00 0.00 175.29 176.12 1wew h GLU 34 N -0.23 -0.04 -5.61 0.00 5.08 -1.77 -3.41 114.58 108.60 1wew h GLU 34 Ca -0.45 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.27 1wew h GLU 34 Cb 1.21 0.01 0.10 0.00 0.50 0.00 0.00 28.75 30.56 1wew h GLU 34 CO 0.58 0.53 -0.42 -3.47 -1.00 0.00 0.00 179.01 175.23 1wew n ASP 35 N -4.73 -1.02 0.02 1.42 2.03 -1.26 -4.76 116.55 108.25 1wew n ASP 35 Ca -0.06 1.06 -0.13 0.00 0.52 0.00 0.00 54.79 56.18 1wew n ASP 35 Cb 0.29 -0.88 -0.09 0.00 -0.72 0.00 0.00 41.12 39.71 1wew n ASP 35 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wew h PRO 36 N 1.18 -0.09 -0.60 -0.67 0.13 -2.00 -1.15 132.00 128.78 1wew h PRO 36 Ca -0.29 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1wew h PRO 36 Cb 1.34 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1wew h PRO 36 CO 0.54 0.36 0.09 0.07 -0.23 0.00 0.00 178.00 178.83 1wew h ARG 37 N -0.58 1.01 0.22 0.86 0.11 -2.00 -3.30 114.38 110.70 1wew h ARG 37 Ca -0.01 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 1wew h ARG 37 Cb 0.50 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1wew h ARG 37 CO 0.02 0.95 -0.11 0.00 0.10 0.00 0.00 179.97 180.93 1wew n HIS 39 N -3.03 -1.16 -4.46 0.00 8.25 -0.44 -4.91 115.22 109.47 1wew n HIS 39 Ca -0.04 0.48 -0.33 0.00 -0.26 0.00 0.00 57.72 57.58 1wew n HIS 39 Cb 0.12 -2.54 -0.10 0.00 1.12 0.00 0.00 29.99 28.59 1wew n HIS 39 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wew s VAL 40 N -4.18 3.79 0.17 1.59 -7.23 -1.26 -4.39 120.40 108.89 1wew s VAL 40 Ca 0.07 -0.65 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 1wew s VAL 40 Cb -0.04 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.20 1wew s VAL 40 CO 0.91 0.45 0.55 0.26 -0.31 0.00 0.00 175.10 176.95 1wew s TRP 41 N -0.97 3.54 -0.04 2.82 0.52 -1.26 -0.72 118.94 122.84 1wew s TRP 41 Ca 0.16 0.99 -0.00 0.00 0.02 0.00 0.00 56.10 57.27 1wew s TRP 41 Cb -0.11 -2.33 0.03 0.00 -1.15 0.00 0.00 33.47 29.91 1wew s TRP 41 CO 0.06 0.38 0.01 -0.65 0.02 0.00 0.00 176.95 176.77 1wew s GLN 42 N -2.25 0.36 -0.06 4.98 -1.52 -0.18 -3.66 119.66 117.34 1wew s GLN 42 Ca 0.41 0.12 -0.40 0.00 -1.95 0.00 0.00 55.36 53.54 1wew s GLN 42 Cb -0.14 -0.65 -0.19 0.00 -0.22 0.00 0.00 33.01 31.82 1wew s GLN 42 CO 0.20 -0.21 1.26 0.72 -0.25 0.00 0.00 175.29 177.01 1wew n HIS 43 N 4.61 1.14 -0.30 0.91 8.25 -1.26 -2.31 115.22 126.25 1wew n HIS 43 Ca -0.17 0.91 -0.01 0.00 -0.26 0.00 0.00 57.72 58.19 1wew n HIS 43 Cb 0.50 -2.20 0.17 0.00 1.12 0.00 0.00 29.99 29.57 1wew n HIS 43 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wew h VAL 44 N 3.51 1.23 -0.12 1.59 2.07 -1.89 -1.65 116.25 120.99 1wew h VAL 44 Ca -0.49 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1wew h VAL 44 Cb 1.39 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1wew h VAL 44 CO 0.75 0.23 0.06 0.61 0.02 0.00 0.00 177.57 179.24 1wew n GLY 45 N -1.35 2.10 1.17 2.17 0.00 -1.26 -2.68 105.19 105.34 1wew n GLY 45 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1wew n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wew n VAL 47 N -3.32 1.52 -1.89 0.00 0.24 -1.16 -4.90 118.33 108.82 1wew n VAL 47 Ca 0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1wew n VAL 47 Cb 0.13 -2.07 -0.03 0.00 -1.47 0.00 0.00 33.84 30.40 1wew n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wew s ILE 48 N -2.36 2.41 0.36 1.34 -1.09 -1.09 -4.95 121.20 115.81 1wew s ILE 48 Ca -0.28 0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 1wew s ILE 48 Cb 0.06 -3.20 -0.10 0.00 -1.58 0.00 0.00 42.46 37.64 1wew s ILE 48 CO 0.54 0.04 1.29 -1.48 -1.23 0.00 0.00 174.94 174.10 1wew s LEU 49 N 0.40 4.35 0.08 2.97 2.34 -1.26 -4.65 118.68 122.91 1wew s LEU 49 Ca 0.67 2.63 -0.31 0.00 0.06 0.00 0.00 54.13 57.18 1wew s LEU 49 Cb -0.45 -3.75 -0.07 0.00 -0.56 0.00 0.00 46.19 41.36 1wew s LEU 49 CO 0.38 -0.62 1.38 -2.16 -1.06 0.00 0.00 176.35 174.28 1wew s PRO 50 N -1.95 4.32 -0.62 1.48 0.04 -1.26 -4.99 135.00 132.02 1wew s PRO 50 Ca 0.52 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.63 1wew s PRO 50 Cb -0.38 -3.35 0.16 0.00 0.04 0.00 0.00 34.50 30.97 1wew s PRO 50 CO 0.50 -0.46 0.43 -0.51 0.04 0.00 0.00 177.00 177.00 1wew s ASP 51 N 1.34 4.13 0.02 6.66 1.11 -1.26 -4.95 116.67 123.72 1wew s ASP 51 Ca 0.64 -3.56 -0.25 0.00 0.18 0.00 0.00 52.55 49.56 1wew s ASP 51 Cb -0.35 -1.39 -0.18 0.00 1.07 0.00 0.00 42.92 42.07 1wew s ASP 51 CO 0.29 -0.12 1.41 0.50 1.18 0.00 0.00 175.17 178.42 1wew h LYS 52 N 5.63 -0.14 -0.20 8.23 3.64 -2.04 -3.29 116.57 128.39 1wew h LYS 52 Ca 0.13 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1wew h LYS 52 Cb 0.80 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1wew h LYS 52 CO 0.64 0.15 -0.20 -1.00 -2.27 0.00 0.00 179.45 176.77 1wew h PRO 53 N -0.44 0.50 -6.33 1.90 0.13 -2.04 -3.41 132.00 122.30 1wew h PRO 53 Ca -0.01 -0.26 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1wew h PRO 53 Cb 0.36 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.42 1wew h PRO 53 CO 0.02 0.84 0.76 -1.64 -0.23 0.00 0.00 178.00 177.76 1wew s MET 54 N -4.32 3.86 0.41 0.86 -1.94 -1.24 -5.01 119.30 111.91 1wew s MET 54 Ca -0.13 0.70 0.03 0.00 -1.71 0.00 0.00 55.69 54.58 1wew s MET 54 Cb 0.07 -3.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 1wew s MET 54 CO 0.78 -1.07 0.11 -0.51 -0.01 0.00 0.00 175.02 174.32 1wew s ASP 55 N 1.99 2.94 1.39 3.03 1.01 -1.26 -4.70 116.67 121.06 1wew s ASP 55 Ca 0.43 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1wew s ASP 55 Cb -0.11 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.28 1wew s ASP 55 CO 0.22 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1wew n GLY 56 N -0.94 3.20 3.85 0.21 0.00 -1.26 -4.63 105.19 105.62 1wew n GLY 56 Ca -0.07 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1wew n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wew s ASN 57 N -4.00 6.81 0.25 1.61 4.22 -1.26 -3.34 114.94 119.23 1wew s ASN 57 Ca 0.00 1.20 -0.30 0.00 -2.14 0.00 0.00 52.86 51.63 1wew s ASN 57 Cb 0.00 -2.34 -0.09 0.00 1.28 0.00 0.00 41.25 40.10 1wew s ASN 57 CO 0.00 -0.08 1.27 -2.16 -2.04 0.00 0.00 177.10 174.09 1wew s PRO 58 N -2.57 4.43 1.23 3.55 0.04 -1.26 -5.14 135.00 135.27 1wew s PRO 58 Ca 0.48 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.37 1wew s PRO 58 Cb -0.13 -3.16 0.30 0.00 0.04 0.00 0.00 34.50 31.55 1wew s PRO 58 CO 0.19 -0.15 1.11 -1.25 0.04 0.00 0.00 177.00 176.94 1wew s PRO 59 N -0.80 -1.44 0.55 0.56 0.04 -1.21 -4.94 135.00 127.77 1wew s PRO 59 Ca 0.52 -0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 1wew s PRO 59 Cb -0.36 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1wew s PRO 59 CO 0.43 -3.84 -0.27 1.28 0.04 0.00 0.00 177.00 174.63 1wew n LEU 60 N -4.84 -3.73 -4.65 -3.56 4.77 -1.26 -4.77 117.00 98.96 1wew n LEU 60 Ca 0.14 0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 56.15 1wew n LEU 60 Cb 0.60 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1wew n LEU 60 CO 0.43 -4.43 1.32 -2.16 -1.33 0.00 0.00 177.39 171.22 1wew s PRO 61 N -1.11 4.02 0.06 3.23 0.04 -1.26 -4.94 135.00 135.04 1wew s PRO 61 Ca 0.45 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 1wew s PRO 61 Cb -0.35 -3.97 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 1wew s PRO 61 CO 0.61 -1.02 1.31 1.49 0.04 0.00 0.00 177.00 179.43 1wew h GLU 62 N 9.82 -0.41 -5.53 4.56 4.22 -2.02 -3.38 114.58 121.84 1wew h GLU 62 Ca -0.34 0.03 -0.61 0.00 0.08 0.00 0.00 59.36 58.52 1wew h GLU 62 Cb 1.15 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1wew h GLU 62 CO 0.98 -0.27 0.11 -1.12 -2.18 0.00 0.00 179.01 176.53 1wew s SER 63 N -3.68 6.58 0.03 1.04 0.01 -1.26 -5.02 113.70 111.40 1wew s SER 63 Ca -0.09 0.71 -0.00 0.00 1.31 0.00 0.00 55.95 57.87 1wew s SER 63 Cb 0.03 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1wew s SER 63 CO 0.34 -0.32 -0.03 0.12 0.41 0.00 0.00 173.24 173.76 1wew s PHE 64 N 2.26 0.37 -0.06 2.43 5.36 -1.26 -5.08 117.98 121.99 1wew s PHE 64 Ca 0.26 -0.75 -0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1wew s PHE 64 Cb -0.16 -0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.28 1wew s PHE 64 CO 0.09 -0.27 -0.02 0.71 -1.46 0.00 0.00 175.22 174.27 1wew s TYR 65 N -2.47 0.77 0.85 10.12 2.02 -1.26 -2.15 117.35 125.23 1wew s TYR 65 Ca -0.07 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 1wew s TYR 65 Cb -0.03 -0.79 0.18 0.00 -0.40 0.00 0.00 41.96 40.93 1wew s TYR 65 CO -0.05 -0.29 0.42 0.00 -1.57 0.00 0.00 175.55 174.06 1wew h GLU 67 N 0.00 0.00 0.00 0.00 -0.00 -1.98 -0.35 114.58 112.25 1wew h GLU 67 Ca -0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.10 1wew h GLU 67 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.38 1wew h GLU 67 CO 0.11 0.44 -0.32 0.82 -0.00 0.00 0.00 179.01 180.06 1wew h ILE 68 N 0.00 0.65 0.06 -1.06 2.04 -1.95 -2.88 117.51 114.37 1wew h ILE 68 Ca -0.00 -1.55 -0.37 0.00 1.00 0.00 0.00 64.86 63.94 1wew h ILE 68 Cb 0.99 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1wew h ILE 68 CO 0.06 0.32 -2.15 0.00 0.00 0.00 0.00 178.15 176.37 1wew h ARG 70 N 0.04 0.05 -0.24 0.00 0.11 -1.12 -2.44 114.38 110.77 1wew h ARG 70 Ca -0.47 -0.01 -0.20 0.00 0.10 0.00 0.00 59.98 59.41 1wew h ARG 70 Cb 2.01 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1wew h ARG 70 CO 0.03 0.16 -0.62 1.37 0.10 0.00 0.00 179.97 181.01 1wew h LEU 71 N 0.05 0.95 -8.09 0.08 8.10 -1.68 -3.39 115.31 111.33 1wew h LEU 71 Ca 0.01 -0.55 -0.44 0.00 0.11 0.00 0.00 57.88 57.01 1wew h LEU 71 Cb 0.23 -0.28 -0.07 0.00 -0.44 0.00 0.00 40.66 40.11 1wew h LEU 71 CO 0.02 1.34 1.22 0.42 -4.11 0.00 0.00 178.44 177.33 1wew s THR 72 N -4.00 3.69 0.63 0.15 -4.23 -0.92 -4.96 115.64 106.00 1wew s THR 72 Ca -0.10 -0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1wew s THR 72 Cb 0.10 -4.57 0.02 0.00 1.34 0.00 0.00 72.50 69.38 1wew s THR 72 CO 0.89 -1.38 0.95 -0.44 -0.54 0.00 0.00 174.62 174.11 1wew s SER 73 N 6.36 5.47 0.00 3.99 0.01 -1.26 -4.98 113.70 123.29 1wew s SER 73 Ca 0.61 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1wew s SER 73 Cb -0.02 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1wew s SER 73 CO 0.01 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.09 1wew n GLY 74 N -2.71 2.94 0.00 3.44 0.00 -1.26 -4.99 105.19 102.61 1wew n GLY 74 Ca 0.05 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1wew n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wew n PRO 75 N 0.00 0.45 -4.18 1.61 -0.04 -1.26 -4.73 135.00 126.85 1wew n PRO 75 Ca 0.00 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1wew n PRO 75 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1wew n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wew s SER 76 N -2.07 5.02 -1.08 3.54 0.15 -1.26 -4.66 113.70 113.33 1wew s SER 76 Ca 0.22 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 1wew s SER 76 Cb 0.11 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1wew s SER 76 CO 0.18 -0.06 0.91 -1.20 1.20 0.00 0.00 173.24 174.28 1wew n SER 77 N -1.06 -3.38 0.00 5.45 7.64 -1.26 -5.04 113.62 115.97 1wew n SER 77 Ca -0.06 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1wew n SER 77 Cb 0.59 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1wew n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64