#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 -0.34 -0.49 1.61 0.15 -1.26 -5.11 113.70 108.25 1wew s SER 2 Ca 0.00 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.49 1wew s SER 2 Cb 0.00 0.84 0.13 0.00 -1.71 0.00 0.00 66.02 65.28 1wew s SER 2 CO 0.00 -0.20 0.26 -0.44 1.20 0.00 0.00 173.24 174.06 1wew s SER 3 N 1.75 4.87 0.00 5.45 0.01 -1.26 -5.06 113.70 119.46 1wew s SER 3 Ca -0.07 -2.60 0.00 0.00 1.31 0.00 0.00 55.95 54.59 1wew s SER 3 Cb -0.10 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1wew s SER 3 CO -0.12 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1wew n GLY 4 N 3.75 6.91 3.35 3.44 0.00 -1.26 -5.12 105.19 116.25 1wew n GLY 4 Ca 0.04 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1wew n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wew s SER 5 N 1.00 5.27 0.79 1.61 0.15 -1.26 -5.09 113.70 116.17 1wew s SER 5 Ca 0.00 -0.78 -0.11 0.00 0.70 0.00 0.00 55.95 55.77 1wew s SER 5 Cb 0.00 -1.91 0.07 0.00 -1.71 0.00 0.00 66.02 62.47 1wew s SER 5 CO 0.00 -0.23 1.09 -0.44 1.20 0.00 0.00 173.24 174.86 1wew s SER 6 N 1.51 4.37 0.00 5.45 0.01 -1.26 -4.42 113.70 119.36 1wew s SER 6 Ca 0.02 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1wew s SER 6 Cb -0.18 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wew s SER 6 CO 0.03 -2.10 0.00 0.61 0.41 0.00 0.00 173.24 172.19 1wew n GLY 7 N -1.31 2.69 3.69 3.44 0.00 -1.26 -5.07 105.19 107.37 1wew n GLY 7 Ca 0.08 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 4.41 0.72 1.61 2.12 -1.26 -5.01 118.70 121.29 1wew s GLU 8 Ca 0.00 1.45 -0.16 0.00 0.36 0.00 0.00 54.97 56.62 1wew s GLU 8 Cb 0.00 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1wew s GLU 8 CO 0.00 -0.34 1.24 -0.25 -0.54 0.00 0.00 175.26 175.37 1wew n ASP 9 N 5.04 1.55 0.00 -1.70 8.00 -1.26 -4.85 116.55 123.33 1wew n ASP 9 Ca 0.09 0.72 0.03 0.00 0.71 0.00 0.00 54.79 56.34 1wew n ASP 9 Cb 0.48 -1.53 0.19 0.00 -0.02 0.00 0.00 41.12 40.25 1wew n ASP 9 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wew n PRO 10 N -2.49 0.49 -1.88 -0.24 -0.04 -1.26 -4.80 135.00 124.78 1wew n PRO 10 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1wew n PRO 10 Cb 0.49 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1wew n PRO 10 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1wew n PHE 11 N -0.71 -1.02 -3.05 0.54 -1.74 -1.26 -4.90 117.46 105.32 1wew n PHE 11 Ca 0.05 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.54 1wew n PHE 11 Cb 0.02 -2.34 -0.05 0.00 1.52 0.00 0.00 39.48 38.64 1wew n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1wew s GLN 12 N -3.95 4.43 1.11 3.97 -0.21 -1.26 -5.06 119.66 118.68 1wew s GLN 12 Ca 0.00 0.90 -0.16 0.00 0.02 0.00 0.00 55.36 56.13 1wew s GLN 12 Cb 0.00 -3.41 0.24 0.00 1.00 0.00 0.00 33.01 30.84 1wew s GLN 12 CO 0.00 0.17 1.10 -1.25 -2.12 0.00 0.00 175.29 173.19 1wew s PRO 13 N 0.43 -0.45 -1.20 2.91 0.04 -1.26 -4.87 135.00 130.60 1wew s PRO 13 Ca 0.37 0.21 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 1wew s PRO 13 Cb -0.18 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wew s PRO 13 CO 0.19 -3.26 1.88 -0.85 0.04 0.00 0.00 177.00 175.01 1wew n GLU 14 N -4.49 2.16 -4.32 4.56 0.28 -1.26 -4.91 120.64 112.66 1wew n GLU 14 Ca 0.09 -2.68 -0.23 0.00 -0.16 0.00 0.00 57.16 54.17 1wew n GLU 14 Cb 0.58 -3.57 -0.08 0.00 1.43 0.00 0.00 31.44 29.80 1wew n GLU 14 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wew s ILE 15 N 8.04 3.08 0.00 3.84 -1.09 -1.26 -5.01 121.20 128.80 1wew s ILE 15 Ca 0.62 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1wew s ILE 15 Cb 0.03 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1wew s ILE 15 CO 0.11 -0.33 0.00 1.17 -1.23 0.00 0.00 174.94 174.66 1wew n LYS 16 N -0.88 0.82 -3.51 2.79 3.00 -1.26 -5.01 118.16 114.11 1wew n LYS 16 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.05 1wew n LYS 16 Cb 0.60 -0.89 0.08 0.00 0.00 0.00 0.00 35.03 34.83 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 -2.11 -4.20 1.15 3.15 0.31 -1.19 -4.86 118.33 110.57 1wew n VAL 17 Ca 0.00 -0.21 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1wew n VAL 17 Cb 0.39 -4.38 0.04 0.00 -0.91 0.00 0.00 33.84 28.97 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 -4.57 1.31 -0.78 5.55 3.00 -1.12 -4.55 116.66 115.50 1wew n ARG 18 Ca -0.12 -0.30 -0.33 0.00 -0.00 0.00 0.00 57.85 57.11 1wew n ARG 18 Cb 0.60 -1.39 0.13 0.00 0.00 0.00 0.00 32.46 31.80 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 -1.60 0.77 -0.11 0.00 -1.51 -1.95 -2.32 116.25 109.54 1wew h VAL 20 Ca -0.44 -0.70 0.03 0.00 -1.23 0.00 0.00 66.70 64.37 1wew h VAL 20 Cb 1.28 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1wew h VAL 20 CO 0.35 0.17 0.17 0.00 -1.23 0.00 0.00 177.57 177.03 1wew n GLY 22 N -1.30 -0.22 3.76 0.00 0.00 -0.87 -5.02 105.19 101.54 1wew n GLY 22 Ca -0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1wew n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wew n ASN 23 N -1.29 1.83 -0.00 1.61 6.94 -1.26 -5.05 115.26 118.04 1wew n ASN 23 Ca -0.11 -2.38 0.01 0.00 -0.02 0.00 0.00 54.58 52.09 1wew n ASN 23 Cb 0.60 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.54 1wew n ASN 23 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1wew n SER 24 N -2.51 1.96 -4.80 0.53 3.41 -1.26 -4.85 113.62 106.09 1wew n SER 24 Ca 0.16 -0.32 -0.26 0.00 -0.26 0.00 0.00 58.87 58.19 1wew n SER 24 Cb 0.58 1.04 0.09 0.00 -0.26 0.00 0.00 64.21 65.66 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 -2.55 2.78 0.07 1.04 0.05 -1.26 -4.95 118.68 113.85 1wew s LEU 25 Ca 0.00 0.40 -0.26 0.00 0.05 0.00 0.00 54.13 54.32 1wew s LEU 25 Cb 0.02 -2.93 0.08 0.00 -2.05 0.00 0.00 46.19 41.30 1wew s LEU 25 CO 0.09 -1.80 0.68 -1.83 -0.55 0.00 0.00 176.35 172.94 1wew s GLU 26 N -5.36 1.13 0.48 1.48 1.03 -1.26 -4.89 118.70 111.31 1wew s GLU 26 Ca 0.63 -0.23 0.05 0.00 0.03 0.00 0.00 54.97 55.45 1wew s GLU 26 Cb -0.09 0.52 -0.01 0.00 -0.80 0.00 0.00 34.13 33.74 1wew s GLU 26 CO 0.46 -0.46 0.18 -0.08 -1.33 0.00 0.00 175.26 174.04 1wew s THR 27 N -2.88 1.75 -1.98 1.83 -1.32 -1.26 -5.02 115.64 106.76 1wew s THR 27 Ca -0.02 -1.74 0.30 0.00 -1.21 0.00 0.00 61.69 59.02 1wew s THR 27 Cb -0.01 -2.49 0.71 0.00 -1.51 0.00 0.00 72.50 69.20 1wew s THR 27 CO -0.06 0.00 2.04 -0.67 -2.21 0.00 0.00 174.62 173.72 1wew n ASP 28 N -1.39 0.41 -3.97 8.08 -0.08 -1.26 -4.44 116.55 113.90 1wew n ASP 28 Ca -0.07 -0.94 -0.31 0.00 -1.51 0.00 0.00 54.79 51.96 1wew n ASP 28 Cb 0.65 -0.04 -0.12 0.00 2.34 0.00 0.00 41.12 43.95 1wew n ASP 28 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1wew s SER 29 N -2.15 4.70 0.33 1.67 0.01 -1.26 -5.06 113.70 111.95 1wew s SER 29 Ca 0.40 -3.26 0.02 0.00 1.31 0.00 0.00 55.95 54.42 1wew s SER 29 Cb 0.21 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1wew s SER 29 CO 0.39 -0.21 0.39 0.23 0.41 0.00 0.00 173.24 174.45 1wew n MET 30 N 2.81 0.56 -4.14 12.44 2.81 -1.26 -3.89 117.12 126.46 1wew n MET 30 Ca 0.10 -2.86 -0.19 0.00 -1.81 0.00 0.00 57.70 52.95 1wew n MET 30 Cb 0.34 2.58 -0.16 0.00 -0.71 0.00 0.00 33.22 35.27 1wew n MET 30 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1wew s ILE 31 N -2.98 0.46 0.41 2.02 -0.00 -1.17 -4.93 121.20 115.02 1wew s ILE 31 Ca 0.32 -0.12 -0.12 0.00 -0.00 0.00 0.00 60.65 60.73 1wew s ILE 31 Cb 0.00 -0.48 -0.07 0.00 -0.00 0.00 0.00 42.46 41.92 1wew s ILE 31 CO 0.22 0.19 0.80 -1.58 -0.00 0.00 0.00 174.94 174.57 1wew s GLN 32 N 0.70 3.82 0.19 0.37 0.74 -1.26 -3.42 119.66 120.79 1wew s GLN 32 Ca -0.09 0.55 -0.30 0.00 0.05 0.00 0.00 55.36 55.57 1wew s GLN 32 Cb -0.12 -2.36 -0.08 0.00 1.10 0.00 0.00 33.01 31.56 1wew s GLN 32 CO -0.00 -0.06 0.95 0.00 -0.55 0.00 0.00 175.29 175.63 1wew h GLU 34 N 4.74 0.74 -6.44 0.00 4.39 -1.81 -3.34 114.58 112.87 1wew h GLU 34 Ca -0.44 -0.04 -0.62 0.00 0.34 0.00 0.00 59.36 58.59 1wew h GLU 34 Cb 1.20 -0.17 0.08 0.00 -0.10 0.00 0.00 28.75 29.77 1wew h GLU 34 CO 0.70 0.49 0.36 -3.47 -1.16 0.00 0.00 179.01 175.92 1wew n ASP 35 N -4.76 1.79 0.02 1.42 -0.08 -1.26 -4.85 116.55 108.83 1wew n ASP 35 Ca 0.13 1.15 -0.13 0.00 -1.51 0.00 0.00 54.79 54.43 1wew n ASP 35 Cb 0.28 -1.29 -0.09 0.00 2.34 0.00 0.00 41.12 42.35 1wew n ASP 35 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wew h PRO 36 N 3.42 -0.09 0.00 -0.67 0.13 -2.01 -0.05 132.00 132.72 1wew h PRO 36 Ca -0.43 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1wew h PRO 36 Cb 1.32 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1wew h PRO 36 CO 0.70 0.36 -0.12 0.07 -0.23 0.00 0.00 178.00 178.78 1wew h ARG 37 N -0.59 0.00 0.00 0.86 0.11 -1.96 -3.26 114.38 109.55 1wew h ARG 37 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1wew h ARG 37 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1wew h ARG 37 CO 0.02 0.12 -0.03 0.00 0.10 0.00 0.00 179.97 180.17 1wew n HIS 39 N -2.97 -0.92 -2.30 0.00 8.25 -0.04 -4.87 115.22 112.37 1wew n HIS 39 Ca -0.00 0.53 -0.27 0.00 -0.26 0.00 0.00 57.72 57.71 1wew n HIS 39 Cb 0.02 -1.59 0.04 0.00 1.12 0.00 0.00 29.99 29.57 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 -3.01 3.44 -0.13 1.59 -7.23 -1.26 -4.73 120.40 109.06 1wew s VAL 40 Ca 0.53 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 1wew s VAL 40 Cb -0.31 -3.39 0.01 0.00 0.56 0.00 0.00 36.38 33.25 1wew s VAL 40 CO 0.80 -0.42 -0.21 0.26 -0.31 0.00 0.00 175.10 175.22 1wew s TRP 41 N -3.07 2.57 0.08 2.82 0.52 -1.26 -2.34 118.94 118.25 1wew s TRP 41 Ca 0.55 -1.28 0.05 0.00 0.02 0.00 0.00 56.10 55.44 1wew s TRP 41 Cb -0.11 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1wew s TRP 41 CO 0.46 -0.59 -0.13 -0.65 0.02 0.00 0.00 176.95 176.06 1wew s GLN 42 N 0.82 0.84 0.22 4.98 -0.21 -1.22 -2.80 119.66 122.30 1wew s GLN 42 Ca -0.07 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 53.99 1wew s GLN 42 Cb -0.16 -0.77 -0.10 0.00 1.00 0.00 0.00 33.01 32.98 1wew s GLN 42 CO -0.02 0.16 1.47 -1.01 -2.12 0.00 0.00 175.29 173.78 1wew s HIS 43 N -1.56 3.03 0.08 0.91 3.76 -1.26 -3.02 115.29 117.23 1wew s HIS 43 Ca 0.00 0.92 -0.32 0.00 -0.15 0.00 0.00 55.06 55.51 1wew s HIS 43 Cb -0.08 -3.85 -0.18 0.00 1.11 0.00 0.00 32.58 29.58 1wew s HIS 43 CO 0.02 -2.87 1.63 0.28 -0.85 0.00 0.00 174.74 172.95 1wew h VAL 44 N 3.68 0.36 -0.42 -0.90 2.07 -1.92 -2.04 116.25 117.08 1wew h VAL 44 Ca -0.45 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.19 1wew h VAL 44 Cb 1.21 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1wew h VAL 44 CO 0.81 0.00 0.58 1.23 0.02 0.00 0.00 177.57 180.21 1wew h GLY 45 N -0.83 0.00 0.00 2.17 0.00 -1.84 0.64 103.07 103.20 1wew h GLY 45 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wew h GLY 45 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.65 1wew h VAL 47 N 0.00 0.83 -3.94 0.00 -1.51 -1.27 -3.44 116.25 106.92 1wew h VAL 47 Ca 0.00 -0.45 -0.50 0.00 -1.23 0.00 0.00 66.70 64.51 1wew h VAL 47 Cb 0.00 1.09 0.05 0.00 -2.13 0.00 0.00 31.29 30.29 1wew h VAL 47 CO 0.00 0.10 0.49 -0.63 -1.23 0.00 0.00 177.57 176.30 1wew s ILE 48 N -5.17 3.23 0.32 7.19 -1.09 0.22 -4.93 121.20 120.97 1wew s ILE 48 Ca -0.15 1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 59.15 1wew s ILE 48 Cb 0.03 -3.58 -0.12 0.00 -1.58 0.00 0.00 42.46 37.21 1wew s ILE 48 CO 0.60 0.10 0.05 0.18 -1.23 0.00 0.00 174.94 174.64 1wew n LEU 49 N 0.13 -2.28 -4.68 2.97 4.32 -1.26 -4.31 117.00 111.89 1wew n LEU 49 Ca 0.04 0.61 -0.42 0.00 -0.02 0.00 0.00 56.01 56.22 1wew n LEU 49 Cb 0.47 -0.68 -0.03 0.00 -1.62 0.00 0.00 43.42 41.56 1wew n LEU 49 CO 0.50 -3.29 1.20 -2.16 -1.22 0.00 0.00 177.39 172.42 1wew s PRO 50 N -0.77 4.24 -0.19 3.23 0.04 -1.26 -4.70 135.00 135.59 1wew s PRO 50 Ca 0.45 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.48 1wew s PRO 50 Cb -0.48 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.42 1wew s PRO 50 CO 0.49 -0.68 0.06 0.34 0.04 0.00 0.00 177.00 177.25 1wew s ASP 51 N 2.31 2.77 0.08 6.66 2.15 -1.26 -5.04 116.67 124.34 1wew s ASP 51 Ca 0.66 -0.78 -0.36 0.00 0.43 0.00 0.00 52.55 52.50 1wew s ASP 51 Cb -0.31 -0.49 -0.18 0.00 -0.30 0.00 0.00 42.92 41.64 1wew s ASP 51 CO 0.26 -0.32 1.58 0.50 -0.17 0.00 0.00 175.17 177.01 1wew h LYS 52 N 8.30 -1.03 -0.25 4.34 3.64 -2.01 -3.20 116.57 126.36 1wew h LYS 52 Ca -0.16 0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1wew h LYS 52 Cb 1.13 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1wew h LYS 52 CO 0.33 -0.68 -0.25 -1.00 -2.27 0.00 0.00 179.45 175.57 1wew h PRO 53 N -1.07 0.62 -6.96 1.90 0.13 -2.04 -3.46 132.00 121.12 1wew h PRO 53 Ca -0.08 -0.33 -0.59 0.00 -0.87 0.00 0.00 66.00 64.13 1wew h PRO 53 Cb 0.89 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.72 1wew h PRO 53 CO 0.03 0.93 -0.88 0.00 -0.23 0.00 0.00 178.00 177.85 1wew n MET 54 N -4.34 -0.80 -0.22 0.86 0.00 -1.21 -4.77 117.12 106.64 1wew n MET 54 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 57.70 57.77 1wew n MET 54 Cb 0.44 -4.08 0.06 0.00 0.00 0.00 0.00 33.22 29.65 1wew n MET 54 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1wew h ASP 55 N -1.09 -0.66 0.00 3.17 3.58 -1.92 -3.45 116.42 116.06 1wew h ASP 55 Ca -0.58 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1wew h ASP 55 Cb 1.31 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.78 1wew h ASP 55 CO 0.79 -0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 1wew n GLY 56 N -1.44 0.10 3.38 -0.78 0.00 -1.26 -5.12 105.19 100.06 1wew n GLY 56 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.19 -0.66 0.42 1.61 4.22 -1.26 -3.81 114.94 115.27 1wew s ASN 57 Ca 0.00 0.81 -0.24 0.00 -2.14 0.00 0.00 52.86 51.29 1wew s ASN 57 Cb 0.00 1.71 -0.08 0.00 1.28 0.00 0.00 41.25 44.16 1wew s ASN 57 CO 0.00 -0.13 1.18 -2.16 -2.04 0.00 0.00 177.10 173.95 1wew s PRO 58 N 2.57 3.93 1.23 3.55 0.04 -1.26 -5.07 135.00 139.99 1wew s PRO 58 Ca -0.01 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1wew s PRO 58 Cb -0.08 -2.58 0.30 0.00 0.04 0.00 0.00 34.50 32.19 1wew s PRO 58 CO -0.17 -0.42 1.11 -1.25 0.04 0.00 0.00 177.00 176.31 1wew s PRO 59 N -2.44 -1.46 0.34 0.56 0.04 -1.25 -4.95 135.00 125.84 1wew s PRO 59 Ca 0.60 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 1wew s PRO 59 Cb -0.31 -1.58 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1wew s PRO 59 CO 0.38 -3.85 1.41 1.47 0.04 0.00 0.00 177.00 176.45 1wew n LEU 60 N -4.84 4.06 -4.77 -3.56 -0.00 -1.26 -4.94 117.00 101.70 1wew n LEU 60 Ca 0.14 1.20 -0.41 0.00 -0.00 0.00 0.00 56.01 56.95 1wew n LEU 60 Cb 0.60 -1.54 -0.03 0.00 -0.00 0.00 0.00 43.42 42.45 1wew n LEU 60 CO 0.43 -0.17 0.91 -2.16 -0.00 0.00 0.00 177.39 176.40 1wew s PRO 61 N -1.64 4.46 0.21 1.47 0.04 -1.26 -4.94 135.00 133.34 1wew s PRO 61 Ca 0.57 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.58 1wew s PRO 61 Cb -0.53 -3.12 0.26 0.00 0.04 0.00 0.00 34.50 31.15 1wew s PRO 61 CO 0.60 -0.04 1.80 0.93 0.04 0.00 0.00 177.00 180.33 1wew h GLU 62 N 3.57 0.62 -5.37 4.56 4.39 -2.02 -3.40 114.58 116.93 1wew h GLU 62 Ca -0.48 -0.04 -0.62 0.00 0.34 0.00 0.00 59.36 58.56 1wew h GLU 62 Cb 1.22 -0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.61 1wew h GLU 62 CO 0.66 0.41 -0.51 -1.54 -1.16 0.00 0.00 179.01 176.87 1wew s SER 63 N -5.55 6.10 -0.11 1.42 1.04 -1.26 -4.96 113.70 110.39 1wew s SER 63 Ca -0.13 0.25 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 1wew s SER 63 Cb 0.16 -2.04 0.06 0.00 0.10 0.00 0.00 66.02 64.31 1wew s SER 63 CO 0.76 0.23 0.64 0.12 0.98 0.00 0.00 173.24 175.97 1wew s PHE 64 N 0.05 -0.64 -0.05 5.02 2.19 -1.26 -5.08 117.98 118.21 1wew s PHE 64 Ca 0.09 1.25 -0.01 0.00 0.33 0.00 0.00 56.93 58.58 1wew s PHE 64 Cb -0.11 0.34 0.03 0.00 -1.31 0.00 0.00 43.02 41.96 1wew s PHE 64 CO -0.00 -0.52 0.02 0.71 1.83 0.00 0.00 175.22 177.27 1wew s TYR 65 N -0.75 0.39 1.12 10.12 2.02 -1.26 -2.20 117.35 126.79 1wew s TYR 65 Ca -0.08 0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 56.49 1wew s TYR 65 Cb -0.02 -0.63 0.24 0.00 -0.40 0.00 0.00 41.96 41.15 1wew s TYR 65 CO 0.07 -0.25 0.54 0.00 -1.57 0.00 0.00 175.55 174.34 1wew h GLU 67 N -3.04 0.00 0.00 0.00 9.09 -2.00 -2.66 114.58 115.96 1wew h GLU 67 Ca -0.25 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.07 1wew h GLU 67 Cb 0.84 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.93 1wew h GLU 67 CO 0.15 0.00 -0.81 0.82 0.05 0.00 0.00 179.01 179.22 1wew h ILE 68 N 0.00 0.45 0.00 -1.06 2.04 -1.95 -3.34 117.51 113.65 1wew h ILE 68 Ca 0.00 -1.73 -0.16 0.00 1.00 0.00 0.00 64.86 63.98 1wew h ILE 68 Cb 0.67 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1wew h ILE 68 CO 0.00 0.26 -0.90 0.00 0.00 0.00 0.00 178.15 177.51 1wew h ARG 70 N -1.00 0.00 0.06 0.00 0.11 -1.65 1.07 114.38 112.97 1wew h ARG 70 Ca -0.24 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.56 1wew h ARG 70 Cb 1.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 1wew h ARG 70 CO -0.14 0.00 -1.48 1.37 0.10 0.00 0.00 179.97 179.81 1wew h LEU 71 N 0.00 0.19 -3.35 0.08 8.10 -1.69 -3.34 115.31 115.30 1wew h LEU 71 Ca 0.39 -0.29 -0.25 0.00 0.11 0.00 0.00 57.88 57.84 1wew h LEU 71 Cb 2.10 -0.06 -0.11 0.00 -0.44 0.00 0.00 40.66 42.15 1wew h LEU 71 CO -0.00 1.24 0.32 0.35 -4.11 0.00 0.00 178.44 176.24 1wew n THR 72 N -3.32 2.58 -0.05 0.15 -2.24 0.37 -4.09 114.28 107.68 1wew n THR 72 Ca -0.14 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.17 1wew n THR 72 Cb 1.02 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 1wew n THR 72 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wew n SER 73 N 0.60 1.24 0.00 3.42 7.64 -1.18 -5.01 113.62 120.34 1wew n SER 73 Ca 0.23 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1wew n SER 73 Cb 0.57 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1wew n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wew n GLY 74 N 2.26 2.52 0.20 0.23 0.00 -1.26 -4.95 105.19 104.19 1wew n GLY 74 Ca -0.19 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.11 1wew n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wew h PRO 75 N 0.00 0.00 0.50 1.61 0.13 -1.89 -3.26 132.00 129.08 1wew h PRO 75 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1wew h PRO 75 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wew h PRO 75 CO 0.00 0.35 -0.24 0.77 -0.23 0.00 0.00 178.00 178.65 1wew h SER 76 N 0.00 -0.56 -3.59 1.44 0.02 -2.02 -3.39 113.55 105.44 1wew h SER 76 Ca -0.00 -0.07 -0.64 0.00 -0.84 0.00 0.00 61.79 60.23 1wew h SER 76 Cb 0.76 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 63.30 1wew h SER 76 CO 0.05 -0.21 0.22 -0.44 -1.14 0.00 0.00 176.83 175.30 1wew s SER 77 N -4.77 6.36 0.00 3.07 0.01 -1.23 -5.31 113.70 111.83 1wew s SER 77 Ca -0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wew s SER 77 Cb 0.02 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wew s SER 77 CO 0.50 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.92