#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 2.99 0.06 1.61 0.01 -1.26 -5.14 113.70 111.97 1wew s SER 2 Ca 0.00 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 1wew s SER 2 Cb 0.00 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1wew s SER 2 CO 0.00 0.25 0.02 -0.94 0.41 0.00 0.00 173.24 172.99 1wew s SER 3 N -1.06 0.39 -0.21 2.44 1.04 -1.26 -5.15 113.70 109.89 1wew s SER 3 Ca 0.11 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 1wew s SER 3 Cb -0.10 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.32 1wew s SER 3 CO 0.01 -0.62 0.09 -0.83 0.98 0.00 0.00 173.24 172.88 1wew s GLY 4 N -2.83 0.48 0.20 7.32 0.00 -1.26 -5.14 107.32 106.09 1wew s GLY 4 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.25 1wew s GLY 4 CO -0.10 1.74 0.03 -0.56 0.00 0.00 0.00 173.10 174.21 1wew s SER 5 N 2.06 4.87 0.80 1.64 0.01 -1.26 -5.10 113.70 116.71 1wew s SER 5 Ca 0.03 -0.41 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 1wew s SER 5 Cb -0.16 -1.06 0.08 0.00 0.21 0.00 0.00 66.02 65.09 1wew s SER 5 CO -0.15 0.06 1.22 -0.55 0.41 0.00 0.00 173.24 174.22 1wew s SER 6 N -3.20 3.63 0.00 2.44 0.15 -1.26 -4.97 113.70 110.48 1wew s SER 6 Ca 0.29 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1wew s SER 6 Cb -0.09 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1wew s SER 6 CO 0.20 -2.65 0.00 0.61 1.20 0.00 0.00 173.24 172.60 1wew n GLY 7 N 0.56 0.00 3.77 9.45 0.00 -1.26 -5.06 105.19 112.65 1wew n GLY 7 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1wew n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wew s GLU 8 N -1.74 4.26 0.56 1.61 2.56 -1.26 -5.04 118.70 119.65 1wew s GLU 8 Ca 0.00 1.70 -0.08 0.00 0.00 0.00 0.00 54.97 56.59 1wew s GLU 8 Cb 0.00 -2.76 -0.03 0.00 2.00 0.00 0.00 34.13 33.34 1wew s GLU 8 CO 0.00 -0.10 0.91 -0.51 -0.56 0.00 0.00 175.26 175.00 1wew s ASP 9 N -1.24 6.15 0.38 -1.70 1.11 -1.26 -4.98 116.67 115.13 1wew s ASP 9 Ca 0.54 1.12 0.17 0.00 0.18 0.00 0.00 52.55 54.56 1wew s ASP 9 Cb -0.27 -2.28 0.76 0.00 1.07 0.00 0.00 42.92 42.20 1wew s ASP 9 CO 0.35 -0.78 1.79 1.55 1.18 0.00 0.00 175.17 179.26 1wew h PRO 10 N -0.08 0.00 -1.81 8.23 0.13 -2.05 -3.46 132.00 132.96 1wew h PRO 10 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 1wew h PRO 10 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1wew h PRO 10 CO 0.62 0.37 -0.40 1.19 -0.23 0.00 0.00 178.00 179.55 1wew n PHE 11 N -3.75 -0.48 -1.88 1.56 3.01 -1.26 -4.93 117.46 109.72 1wew n PHE 11 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 1wew n PHE 11 Cb 0.45 -3.32 -0.02 0.00 -0.01 0.00 0.00 39.48 36.59 1wew n PHE 11 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1wew s GLN 12 N -4.29 4.18 0.69 -1.08 -2.07 -1.26 -4.98 119.66 110.85 1wew s GLN 12 Ca 0.00 2.46 -0.14 0.00 -1.82 0.00 0.00 55.36 55.86 1wew s GLN 12 Cb 0.00 -3.05 0.01 0.00 -1.09 0.00 0.00 33.01 28.89 1wew s GLN 12 CO 0.00 -0.52 1.11 -1.25 -1.32 0.00 0.00 175.29 173.31 1wew s PRO 13 N -0.79 2.67 -1.28 9.60 0.04 -1.26 -4.94 135.00 139.03 1wew s PRO 13 Ca 0.59 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1wew s PRO 13 Cb -0.45 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.29 1wew s PRO 13 CO 0.49 -1.35 1.76 0.39 0.04 0.00 0.00 177.00 178.34 1wew n GLU 14 N -2.69 3.39 -4.26 4.56 1.02 -1.26 -4.96 120.64 116.44 1wew n GLU 14 Ca 0.10 -3.48 -0.28 0.00 -0.02 0.00 0.00 57.16 53.47 1wew n GLU 14 Cb 0.52 -3.07 -0.10 0.00 -0.02 0.00 0.00 31.44 28.77 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 1.56 3.22 -0.01 -3.67 -1.09 -1.26 -5.07 121.20 114.88 1wew s ILE 15 Ca 0.43 -1.47 -0.05 0.00 -2.23 0.00 0.00 60.65 57.33 1wew s ILE 15 Cb 0.06 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1wew s ILE 15 CO -0.00 0.01 0.53 0.50 -1.23 0.00 0.00 174.94 174.75 1wew h LYS 16 N 3.32 -0.17 -5.94 2.79 1.63 -1.93 -3.48 116.57 112.81 1wew h LYS 16 Ca -0.48 0.01 -0.40 0.00 -0.85 0.00 0.00 60.65 58.93 1wew h LYS 16 Cb 1.18 0.04 0.09 0.00 -0.60 0.00 0.00 32.23 32.94 1wew h LYS 16 CO 0.52 -0.11 -0.77 0.28 -3.45 0.00 0.00 179.45 175.92 1wew n VAL 17 N -2.88 -4.23 -0.67 2.00 0.31 -1.26 -4.87 118.33 106.74 1wew n VAL 17 Ca -0.02 -0.31 -0.16 0.00 -0.01 0.00 0.00 64.34 63.83 1wew n VAL 17 Cb 0.07 -4.05 0.06 0.00 -0.91 0.00 0.00 33.84 29.01 1wew n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wew n ARG 18 N -4.46 1.81 -0.29 5.55 3.00 -1.21 -4.58 116.66 116.49 1wew n ARG 18 Ca -0.17 -1.69 -0.19 0.00 -0.01 0.00 0.00 57.85 55.79 1wew n ARG 18 Cb 0.62 -1.66 0.19 0.00 0.00 0.00 0.00 32.46 31.61 1wew n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wew n VAL 20 N -4.76 1.62 -0.51 0.00 0.24 -1.26 -4.23 118.33 109.43 1wew n VAL 20 Ca 0.09 -0.49 0.42 0.00 -2.04 0.00 0.00 64.34 62.32 1wew n VAL 20 Cb 0.38 -1.71 0.75 0.00 -1.47 0.00 0.00 33.84 31.78 1wew n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wew n GLY 22 N -1.76 2.94 3.75 0.00 0.00 -1.26 -5.07 105.19 103.79 1wew n GLY 22 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 1wew n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wew s ASN 23 N -1.35 6.60 -0.50 1.61 -0.87 -1.26 -4.93 114.94 114.24 1wew s ASN 23 Ca 0.00 2.73 0.02 0.00 -1.57 0.00 0.00 52.86 54.04 1wew s ASN 23 Cb 0.00 -2.63 0.47 0.00 -0.02 0.00 0.00 41.25 39.07 1wew s ASN 23 CO 0.00 -0.73 1.69 -1.20 -2.57 0.00 0.00 177.10 174.29 1wew n SER 24 N 2.14 6.24 -4.49 -1.22 7.64 -1.26 -4.55 113.62 118.11 1wew n SER 24 Ca 0.06 -3.77 -0.25 0.00 1.01 0.00 0.00 58.87 55.93 1wew n SER 24 Cb 0.40 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.78 1wew n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wew s LEU 25 N -3.69 2.66 -0.04 -3.43 0.05 -1.26 -4.98 118.68 107.99 1wew s LEU 25 Ca 0.58 -0.93 -0.04 0.00 0.05 0.00 0.00 54.13 53.80 1wew s LEU 25 Cb 0.47 -1.22 -0.04 0.00 -2.05 0.00 0.00 46.19 43.35 1wew s LEU 25 CO 0.01 0.05 0.17 -1.61 -0.55 0.00 0.00 176.35 174.42 1wew s GLU 26 N -3.35 3.43 0.50 1.48 0.41 -1.26 -4.96 118.70 114.96 1wew s GLU 26 Ca 0.28 -0.27 0.07 0.00 -0.41 0.00 0.00 54.97 54.65 1wew s GLU 26 Cb -0.06 -3.12 0.03 0.00 -1.78 0.00 0.00 34.13 29.20 1wew s GLU 26 CO 0.15 0.71 0.48 0.95 -0.49 0.00 0.00 175.26 177.05 1wew s THR 27 N -1.24 2.17 0.60 3.63 -4.23 -1.26 -4.98 115.64 110.32 1wew s THR 27 Ca 0.24 -1.32 0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1wew s THR 27 Cb -0.12 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.60 1wew s THR 27 CO 0.14 0.00 2.01 -2.24 -0.54 0.00 0.00 174.62 173.99 1wew h ASP 28 N 0.73 0.00 -4.98 3.99 2.03 -2.05 -3.42 116.42 112.72 1wew h ASP 28 Ca -0.37 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.85 1wew h ASP 28 Cb 1.29 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.59 1wew h ASP 28 CO 0.53 0.00 0.04 -0.44 -1.03 0.00 0.00 179.24 178.34 1wew s SER 29 N -5.42 -0.51 0.28 4.15 0.01 -1.26 -5.18 113.70 105.77 1wew s SER 29 Ca -0.04 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1wew s SER 29 Cb 0.15 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.87 1wew s SER 29 CO 0.52 -0.55 0.66 -0.04 0.41 0.00 0.00 173.24 174.24 1wew s MET 30 N -1.21 1.77 -0.09 12.44 -1.94 -1.26 -4.14 119.30 124.87 1wew s MET 30 Ca -0.12 -1.11 0.03 0.00 -1.71 0.00 0.00 55.69 52.78 1wew s MET 30 Cb -0.02 0.57 -0.01 0.00 2.01 0.00 0.00 34.83 37.38 1wew s MET 30 CO 0.08 -0.79 -0.18 0.96 -0.01 0.00 0.00 175.02 175.08 1wew s ILE 31 N -3.79 2.67 -0.42 2.53 -4.36 -1.04 -4.95 121.20 111.85 1wew s ILE 31 Ca 0.15 -0.83 -0.18 0.00 -0.26 0.00 0.00 60.65 59.53 1wew s ILE 31 Cb -0.04 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.63 1wew s ILE 31 CO 0.08 0.56 0.49 -1.58 0.24 0.00 0.00 174.94 174.73 1wew s GLN 32 N -0.03 3.20 -0.32 0.37 0.74 -1.26 -2.24 119.66 120.13 1wew s GLN 32 Ca -0.05 -0.60 -0.33 0.00 0.05 0.00 0.00 55.36 54.43 1wew s GLN 32 Cb -0.14 -3.94 -0.14 0.00 1.10 0.00 0.00 33.01 29.88 1wew s GLN 32 CO 0.04 -0.86 1.10 0.00 -0.55 0.00 0.00 175.29 175.02 1wew n GLU 34 N 2.66 -0.16 -1.45 0.00 2.13 0.06 -3.40 120.64 120.47 1wew n GLU 34 Ca 0.21 1.41 -0.51 0.00 0.66 0.00 0.00 57.16 58.93 1wew n GLU 34 Cb -0.03 -2.09 -0.04 0.00 0.27 0.00 0.00 31.44 29.54 1wew n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wew n ASP 35 N -5.40 -0.56 0.00 4.31 8.00 -1.26 -4.79 116.55 116.86 1wew n ASP 35 Ca 0.11 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.63 1wew n ASP 35 Cb 0.40 -0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 1wew n ASP 35 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1wew h PRO 36 N 1.76 -0.04 -0.35 -0.24 0.13 -1.99 -0.87 132.00 130.40 1wew h PRO 36 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1wew h PRO 36 Cb 1.42 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.55 1wew h PRO 36 CO 0.60 0.43 0.16 0.00 -0.23 0.00 0.00 178.00 178.97 1wew h ARG 37 N -0.53 0.51 0.33 0.86 2.47 -1.93 -3.29 114.38 112.80 1wew h ARG 37 Ca -0.00 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1wew h ARG 37 Cb 0.49 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1wew h ARG 37 CO 0.01 0.47 -0.16 0.00 0.56 0.00 0.00 179.97 180.85 1wew n HIS 39 N -3.43 -0.87 -2.65 0.00 8.25 -0.33 -4.85 115.22 111.33 1wew n HIS 39 Ca -0.05 0.49 -0.30 0.00 -0.26 0.00 0.00 57.72 57.59 1wew n HIS 39 Cb 0.17 -1.56 -0.03 0.00 1.12 0.00 0.00 29.99 29.70 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 -3.03 4.73 -0.22 1.59 -7.23 -1.26 -4.66 120.40 110.32 1wew s VAL 40 Ca 0.45 0.74 -0.16 0.00 -1.81 0.00 0.00 61.98 61.20 1wew s VAL 40 Cb -0.26 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 1wew s VAL 40 CO 0.75 -0.64 0.42 0.26 -0.31 0.00 0.00 175.10 175.58 1wew s TRP 41 N -2.53 3.34 -0.10 2.82 0.52 -1.26 -1.83 118.94 119.89 1wew s TRP 41 Ca 0.53 0.60 0.02 0.00 0.02 0.00 0.00 56.10 57.27 1wew s TRP 41 Cb -0.10 -2.57 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1wew s TRP 41 CO 0.34 -0.08 -0.14 -0.65 0.02 0.00 0.00 176.95 176.44 1wew s GLN 42 N 1.57 2.11 0.15 4.98 -1.52 -0.95 -3.31 119.66 122.69 1wew s GLN 42 Ca 0.19 -0.52 -0.34 0.00 -1.95 0.00 0.00 55.36 52.73 1wew s GLN 42 Cb -0.15 -1.80 -0.15 0.00 -0.22 0.00 0.00 33.01 30.68 1wew s GLN 42 CO 0.09 -0.06 1.39 0.72 -0.25 0.00 0.00 175.29 177.18 1wew n HIS 43 N 4.17 1.80 0.32 0.91 8.25 -1.26 -2.49 115.22 126.92 1wew n HIS 43 Ca -0.19 0.50 0.21 0.00 -0.26 0.00 0.00 57.72 57.99 1wew n HIS 43 Cb 0.51 -2.40 1.07 0.00 1.12 0.00 0.00 29.99 30.29 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 3.25 0.01 -0.74 1.59 2.07 -1.93 -2.01 116.25 118.50 1wew h VAL 44 Ca -0.46 -0.14 -0.43 0.00 0.82 0.00 0.00 66.70 66.49 1wew h VAL 44 Cb 1.30 1.14 -0.24 0.00 -1.52 0.00 0.00 31.29 31.97 1wew h VAL 44 CO 0.79 0.00 0.27 0.61 0.02 0.00 0.00 177.57 179.27 1wew n GLY 45 N -0.78 5.13 0.66 2.17 0.00 -1.26 -3.65 105.19 107.45 1wew n GLY 45 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.44 0.84 -2.67 0.00 0.24 -1.22 -5.00 118.33 108.07 1wew n VAL 47 Ca 0.00 -0.32 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 1wew n VAL 47 Cb 0.31 -1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 31.61 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 -2.29 3.91 0.55 1.34 -1.09 -1.24 -5.03 121.20 117.34 1wew s ILE 48 Ca -0.20 1.93 -0.18 0.00 -2.23 0.00 0.00 60.65 59.97 1wew s ILE 48 Cb 0.05 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1wew s ILE 48 CO 0.34 0.46 1.06 -1.48 -1.23 0.00 0.00 174.94 174.09 1wew s LEU 49 N -1.24 3.66 0.35 2.97 2.34 -1.26 -4.57 118.68 120.91 1wew s LEU 49 Ca 0.42 1.90 -0.28 0.00 0.06 0.00 0.00 54.13 56.23 1wew s LEU 49 Cb -0.28 -4.55 -0.09 0.00 -0.56 0.00 0.00 46.19 40.71 1wew s LEU 49 CO 0.34 -1.03 1.22 -2.16 -1.06 0.00 0.00 176.35 173.66 1wew s PRO 50 N -3.67 4.30 0.24 1.48 0.04 -1.26 -4.94 135.00 131.19 1wew s PRO 50 Ca 0.66 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 1wew s PRO 50 Cb -0.17 -2.95 -0.15 0.00 0.04 0.00 0.00 34.50 31.27 1wew s PRO 50 CO 0.29 -0.16 0.95 -0.25 0.04 0.00 0.00 177.00 177.87 1wew n ASP 51 N 0.62 0.79 -0.00 6.66 8.00 -1.26 -4.95 116.55 126.41 1wew n ASP 51 Ca 0.01 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.67 1wew n ASP 51 Cb 0.44 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1wew n ASP 51 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wew n LYS 52 N 1.00 0.01 0.02 -1.24 4.76 -1.26 -4.76 118.16 116.69 1wew n LYS 52 Ca 0.12 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1wew n LYS 52 Cb 0.29 -0.65 -0.09 0.00 -1.84 0.00 0.00 35.03 32.73 1wew n LYS 52 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1wew h PRO 53 N -0.03 -0.09 -3.11 1.97 0.13 -1.93 -3.47 132.00 125.48 1wew h PRO 53 Ca 0.00 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.01 1wew h PRO 53 Cb 0.02 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 30.97 1wew h PRO 53 CO 0.00 0.37 -0.32 -1.64 -0.23 0.00 0.00 178.00 176.17 1wew s MET 54 N -4.20 0.60 0.49 0.86 -1.94 -1.23 -5.03 119.30 108.85 1wew s MET 54 Ca -0.15 -0.17 0.19 0.00 -1.71 0.00 0.00 55.69 53.85 1wew s MET 54 Cb 0.02 0.27 1.21 0.00 2.01 0.00 0.00 34.83 38.33 1wew s MET 54 CO 0.63 -0.16 2.06 0.38 -0.01 0.00 0.00 175.02 177.91 1wew h ASP 55 N 4.12 0.00 0.00 3.03 3.04 -1.91 -3.29 116.42 121.41 1wew h ASP 55 Ca -0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 1wew h ASP 55 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1wew h ASP 55 CO 0.39 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 178.33 1wew n GLY 56 N -1.05 -1.00 3.73 7.15 0.00 -1.26 -4.90 105.19 107.87 1wew n GLY 56 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.34 5.29 0.39 1.61 4.22 -1.24 -3.29 114.94 119.58 1wew s ASN 57 Ca 0.00 -0.08 -0.26 0.00 -2.14 0.00 0.00 52.86 50.38 1wew s ASN 57 Cb 0.00 -1.36 -0.09 0.00 1.28 0.00 0.00 41.25 41.09 1wew s ASN 57 CO 0.00 0.18 1.19 -2.16 -2.04 0.00 0.00 177.10 174.28 1wew s PRO 58 N -2.28 4.10 1.18 3.55 0.04 -1.26 -3.49 135.00 136.83 1wew s PRO 58 Ca 0.27 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 1wew s PRO 58 Cb -0.12 -2.75 0.27 0.00 0.04 0.00 0.00 34.50 31.95 1wew s PRO 58 CO 0.19 -0.30 1.11 -1.25 0.04 0.00 0.00 177.00 176.79 1wew s PRO 59 N -2.20 -1.03 0.42 0.56 0.04 -1.21 -4.96 135.00 126.64 1wew s PRO 59 Ca 0.56 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.36 1wew s PRO 59 Cb -0.32 -1.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1wew s PRO 59 CO 0.41 -3.60 1.16 1.28 0.04 0.00 0.00 177.00 176.29 1wew n LEU 60 N -4.69 3.43 -4.69 -3.56 4.77 -1.26 -4.90 117.00 106.10 1wew n LEU 60 Ca 0.12 1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 1wew n LEU 60 Cb 0.59 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.22 1wew n LEU 60 CO 0.47 -1.03 1.16 -2.16 -1.33 0.00 0.00 177.39 174.50 1wew s PRO 61 N -2.14 4.27 0.27 3.23 0.04 -1.26 -4.92 135.00 134.50 1wew s PRO 61 Ca 0.62 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 1wew s PRO 61 Cb -0.53 -3.58 0.46 0.00 0.04 0.00 0.00 34.50 30.89 1wew s PRO 61 CO 0.57 -0.61 1.87 1.05 0.04 0.00 0.00 177.00 179.93 1wew h GLU 62 N 7.93 1.09 -5.26 4.56 4.11 -2.02 -3.40 114.58 121.59 1wew h GLU 62 Ca -0.38 -0.07 -0.68 0.00 0.07 0.00 0.00 59.36 58.30 1wew h GLU 62 Cb 1.18 -0.24 -0.34 0.00 0.50 0.00 0.00 28.75 29.85 1wew h GLU 62 CO 0.91 0.72 -0.87 -1.54 0.07 0.00 0.00 179.01 178.29 1wew s SER 63 N -5.86 3.11 -0.21 3.06 1.04 -1.26 -4.88 113.70 108.70 1wew s SER 63 Ca -0.12 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.60 1wew s SER 63 Cb 0.21 -1.43 0.06 0.00 0.10 0.00 0.00 66.02 64.96 1wew s SER 63 CO 0.81 0.11 0.51 0.12 0.98 0.00 0.00 173.24 175.78 1wew s PHE 64 N 0.61 -0.73 -0.16 5.02 5.36 -1.26 -5.00 117.98 121.81 1wew s PHE 64 Ca -0.12 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1wew s PHE 64 Cb -0.17 0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.86 1wew s PHE 64 CO 0.03 -0.39 -0.07 0.71 -1.46 0.00 0.00 175.22 174.04 1wew s TYR 65 N 1.28 2.93 1.34 10.12 2.02 -1.26 -0.76 117.35 133.01 1wew s TYR 65 Ca -0.08 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 55.80 1wew s TYR 65 Cb -0.07 -1.95 0.34 0.00 -0.40 0.00 0.00 41.96 39.88 1wew s TYR 65 CO -0.13 -0.24 1.03 0.00 -1.57 0.00 0.00 175.55 174.64 1wew h GLU 67 N -3.09 0.04 0.00 0.00 -0.00 -1.99 0.14 114.58 109.69 1wew h GLU 67 Ca -0.42 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 58.89 1wew h GLU 67 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.06 1wew h GLU 67 CO 0.27 0.56 -0.14 0.82 -0.00 0.00 0.00 179.01 180.52 1wew h ILE 68 N 0.04 0.42 0.01 -1.06 2.04 -1.98 -2.48 117.51 114.51 1wew h ILE 68 Ca -0.00 -0.79 -0.39 0.00 1.00 0.00 0.00 64.86 64.68 1wew h ILE 68 Cb 0.94 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 1wew h ILE 68 CO 0.07 0.14 -2.19 0.00 0.00 0.00 0.00 178.15 176.17 1wew h ARG 70 N -0.67 0.00 0.18 0.00 -0.00 -1.00 0.12 114.38 113.02 1wew h ARG 70 Ca -0.57 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.09 1wew h ARG 70 Cb 1.66 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 31.64 1wew h ARG 70 CO -0.25 0.00 -1.47 1.37 -0.00 0.00 0.00 179.97 179.62 1wew h LEU 71 N 0.00 0.60 -0.14 0.08 8.10 -1.62 -3.35 115.31 118.98 1wew h LEU 71 Ca 0.05 -0.71 -0.12 0.00 0.11 0.00 0.00 57.88 57.21 1wew h LEU 71 Cb 0.38 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1wew h LEU 71 CO -0.00 1.57 -0.37 0.71 -4.11 0.00 0.00 178.44 176.24 1wew h THR 72 N 0.10 1.36 -2.29 0.15 1.35 -1.22 -3.44 112.91 108.92 1wew h THR 72 Ca -0.23 -1.66 -0.56 0.00 -0.55 0.00 0.00 66.41 63.41 1wew h THR 72 Cb 2.08 2.05 0.03 0.00 -1.73 0.00 0.00 68.15 70.57 1wew h THR 72 CO 0.22 0.50 1.16 -1.54 -0.25 0.00 0.00 175.52 175.60 1wew n SER 73 N -4.32 3.91 -4.75 5.36 3.41 -0.13 -4.92 113.62 112.18 1wew n SER 73 Ca -0.07 0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 59.08 1wew n SER 73 Cb 0.52 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1wew n SER 73 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wew s GLY 74 N 3.87 2.66 -0.47 5.00 0.00 -1.26 -4.93 107.32 112.18 1wew s GLY 74 Ca 0.88 1.21 -0.28 0.00 0.00 0.00 0.00 44.72 46.53 1wew s GLY 74 CO 0.44 2.03 1.77 2.56 0.00 0.00 0.00 173.10 179.90 1wew s PRO 75 N -0.87 3.04 0.03 2.90 0.04 -1.26 -4.76 135.00 134.13 1wew s PRO 75 Ca 0.54 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1wew s PRO 75 Cb -0.39 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.89 1wew s PRO 75 CO 0.45 -2.22 -0.02 -1.13 0.04 0.00 0.00 177.00 174.12 1wew n SER 76 N 11.22 0.62 -3.76 6.66 3.41 -1.26 -5.13 113.62 125.38 1wew n SER 76 Ca 0.21 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1wew n SER 76 Cb 0.49 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1wew n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wew s SER 77 N -5.56 -0.14 0.00 4.04 1.04 -1.26 -5.36 113.70 106.46 1wew s SER 77 Ca -0.02 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1wew s SER 77 Cb 0.01 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1wew s SER 77 CO 0.03 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.52