#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 4.87 -0.11 1.61 0.15 -1.26 -5.07 113.70 113.90 1wew s SER 2 Ca 0.00 -1.96 -0.04 0.00 0.70 0.00 0.00 55.95 54.65 1wew s SER 2 Cb 0.00 -1.68 0.05 0.00 -1.71 0.00 0.00 66.02 62.68 1wew s SER 2 CO 0.00 -0.39 0.22 -0.44 1.20 0.00 0.00 173.24 173.83 1wew s SER 3 N 1.20 0.29 0.00 5.45 0.01 -1.26 -5.14 113.70 114.25 1wew s SER 3 Ca 0.06 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wew s SER 3 Cb -0.20 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wew s SER 3 CO -0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1wew n GLY 4 N 5.02 2.34 3.56 3.44 0.00 -1.26 -5.08 105.19 113.22 1wew n GLY 4 Ca -0.11 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1wew n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wew s SER 5 N 2.00 6.25 0.23 1.61 1.04 -1.26 -4.98 113.70 118.59 1wew s SER 5 Ca 0.00 -1.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.02 1wew s SER 5 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1wew s SER 5 CO 0.00 -1.74 0.50 -0.44 0.98 0.00 0.00 173.24 172.54 1wew s SER 6 N 5.53 6.51 0.00 7.02 0.01 -1.26 -4.94 113.70 126.57 1wew s SER 6 Ca 0.51 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1wew s SER 6 Cb -0.01 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1wew s SER 6 CO -0.07 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wew n GLY 7 N -0.39 0.19 3.70 3.44 0.00 -1.26 -4.98 105.19 105.89 1wew n GLY 7 Ca -0.01 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1wew n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wew s GLU 8 N 0.00 4.16 0.04 1.61 0.41 -1.26 -5.00 118.70 118.66 1wew s GLU 8 Ca 0.00 2.51 0.02 0.00 -0.41 0.00 0.00 54.97 57.09 1wew s GLU 8 Cb 0.00 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 1wew s GLU 8 CO 0.00 -0.76 0.06 -0.51 -0.49 0.00 0.00 175.26 173.56 1wew s ASP 9 N 2.06 5.46 0.00 -0.19 1.01 -1.26 -4.99 116.67 118.76 1wew s ASP 9 Ca 0.76 0.03 0.11 0.00 0.71 0.00 0.00 52.55 54.15 1wew s ASP 9 Cb -0.45 -1.48 0.63 0.00 1.01 0.00 0.00 42.92 42.62 1wew s ASP 9 CO 0.34 0.22 1.06 -0.81 0.21 0.00 0.00 175.17 176.19 1wew n PRO 10 N 0.85 0.49 -0.69 8.23 -0.04 -1.26 -2.40 135.00 140.18 1wew n PRO 10 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1wew n PRO 10 Cb 0.52 -1.34 0.20 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.84 0.62 -1.44 0.54 3.01 -1.26 -5.03 117.46 113.07 1wew n PHE 11 Ca 0.08 -1.52 -0.46 0.00 1.01 0.00 0.00 57.45 56.56 1wew n PHE 11 Cb 0.04 -0.38 -0.10 0.00 -0.01 0.00 0.00 39.48 39.02 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 -1.12 0.46 -2.22 -1.08 6.02 -1.01 -4.86 117.38 113.58 1wew n GLN 12 Ca 0.27 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 1wew n GLN 12 Cb 0.88 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1wew n GLN 12 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wew s PRO 13 N 7.57 4.38 -1.34 -1.09 0.04 -1.26 -4.94 135.00 138.35 1wew s PRO 13 Ca 1.20 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 64.15 1wew s PRO 13 Cb -1.02 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 30.41 1wew s PRO 13 CO 0.48 -0.29 1.93 0.39 0.04 0.00 0.00 177.00 179.56 1wew n GLU 14 N 2.95 3.22 -2.58 4.56 1.02 -1.26 -4.97 120.64 123.57 1wew n GLU 14 Ca 0.07 -3.17 -0.41 0.00 -0.02 0.00 0.00 57.16 53.64 1wew n GLU 14 Cb 0.43 -3.18 -0.04 0.00 -0.02 0.00 0.00 31.44 28.63 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 2.30 4.09 0.00 -3.67 -1.09 -1.26 -5.00 121.20 116.57 1wew s ILE 15 Ca 0.45 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 1wew s ILE 15 Cb 0.09 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1wew s ILE 15 CO -0.02 0.28 0.73 1.17 -1.23 0.00 0.00 174.94 175.87 1wew n LYS 16 N 2.59 0.00 -2.92 2.79 3.00 -1.26 -4.92 118.16 117.43 1wew n LYS 16 Ca 0.03 0.37 -0.10 0.00 -0.00 0.00 0.00 58.31 58.61 1wew n LYS 16 Cb 0.47 -1.23 0.03 0.00 0.00 0.00 0.00 35.03 34.31 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 -1.40 -1.48 -1.04 3.15 0.31 -1.24 -4.92 118.33 111.72 1wew n VAL 17 Ca 0.00 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 1wew n VAL 17 Cb 0.00 -2.72 0.05 0.00 -0.91 0.00 0.00 33.84 30.26 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 -2.43 2.09 -0.36 5.55 3.00 -1.20 -4.68 116.66 118.64 1wew n ARG 18 Ca -0.01 -2.13 -0.30 0.00 -0.01 0.00 0.00 57.85 55.40 1wew n ARG 18 Cb 0.53 -1.83 0.29 0.00 0.00 0.00 0.00 32.46 31.44 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 -3.36 1.55 -1.51 0.00 -1.51 -1.94 -3.31 116.25 106.16 1wew h VAL 20 Ca -0.46 -2.33 0.44 0.00 -1.23 0.00 0.00 66.70 63.12 1wew h VAL 20 Cb 1.34 3.10 -0.06 0.00 -2.13 0.00 0.00 31.29 33.54 1wew h VAL 20 CO 0.31 0.56 1.29 0.00 -1.23 0.00 0.00 177.57 178.50 1wew n GLY 22 N -1.80 0.71 3.39 0.00 0.00 -1.25 -5.06 105.19 101.17 1wew n GLY 22 Ca 0.34 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.93 4.02 -0.28 1.61 -0.87 -1.26 -5.01 114.94 110.22 1wew s ASN 23 Ca 0.00 -0.31 -0.02 0.00 -1.57 0.00 0.00 52.86 50.97 1wew s ASN 23 Cb 0.00 -1.51 0.12 0.00 -0.02 0.00 0.00 41.25 39.84 1wew s ASN 23 CO 0.00 0.19 2.29 -1.54 -2.57 0.00 0.00 177.10 175.48 1wew n SER 24 N 3.35 6.23 -4.50 -1.22 3.41 -1.26 -4.71 113.62 114.92 1wew n SER 24 Ca -0.18 -2.96 -0.25 0.00 -0.26 0.00 0.00 58.87 55.22 1wew n SER 24 Cb 0.53 -1.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.24 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 -1.51 2.65 0.14 1.04 0.05 -1.26 -5.09 118.68 114.70 1wew s LEU 25 Ca 0.35 -1.11 0.10 0.00 0.05 0.00 0.00 54.13 53.52 1wew s LEU 25 Cb 0.25 -1.02 -0.04 0.00 -2.05 0.00 0.00 46.19 43.32 1wew s LEU 25 CO -0.05 -0.09 -0.22 -1.61 -0.55 0.00 0.00 176.35 173.82 1wew s GLU 26 N -3.57 1.60 0.55 1.48 2.02 -1.26 -4.95 118.70 114.57 1wew s GLU 26 Ca 0.31 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 54.05 1wew s GLU 26 Cb -0.01 -1.98 0.05 0.00 0.10 0.00 0.00 34.13 32.29 1wew s GLU 26 CO 0.15 0.45 0.50 0.95 0.02 0.00 0.00 175.26 177.33 1wew s THR 27 N -1.23 1.80 0.47 3.63 -4.23 -1.26 -5.00 115.64 109.81 1wew s THR 27 Ca 0.17 -1.37 0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1wew s THR 27 Cb -0.10 -2.16 0.32 0.00 1.34 0.00 0.00 72.50 71.90 1wew s THR 27 CO 0.09 0.00 2.04 -0.78 -0.54 0.00 0.00 174.62 175.43 1wew h ASP 28 N 0.61 0.21 -5.04 3.99 1.82 -2.05 -3.43 116.42 112.54 1wew h ASP 28 Ca -0.35 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.17 1wew h ASP 28 Cb 1.30 -0.04 -0.18 0.00 0.68 0.00 0.00 39.33 41.08 1wew h ASP 28 CO 0.53 0.14 -0.39 -0.44 -1.61 0.00 0.00 179.24 177.47 1wew s SER 29 N -6.53 -0.01 -0.02 2.28 0.01 -1.26 -5.17 113.70 103.00 1wew s SER 29 Ca -0.06 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 1wew s SER 29 Cb 0.19 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.76 1wew s SER 29 CO 0.72 -0.51 0.60 -0.04 0.41 0.00 0.00 173.24 174.43 1wew s MET 30 N -2.13 1.02 -0.13 12.44 -1.94 -1.26 -4.02 119.30 123.28 1wew s MET 30 Ca -0.08 0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.95 1wew s MET 30 Cb -0.03 0.47 -0.03 0.00 2.01 0.00 0.00 34.83 37.25 1wew s MET 30 CO -0.01 -0.33 0.02 0.96 -0.01 0.00 0.00 175.02 175.65 1wew s ILE 31 N -1.53 4.43 0.34 2.53 -0.00 -1.24 -4.96 121.20 120.77 1wew s ILE 31 Ca -0.10 -0.18 -0.13 0.00 -0.00 0.00 0.00 60.65 60.23 1wew s ILE 31 Cb -0.01 -2.92 -0.08 0.00 -0.00 0.00 0.00 42.46 39.45 1wew s ILE 31 CO 0.06 0.55 0.73 -1.58 -0.00 0.00 0.00 174.94 174.70 1wew s GLN 32 N -0.33 3.92 -0.12 0.37 0.74 -1.26 -3.30 119.66 119.68 1wew s GLN 32 Ca 0.07 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 55.77 1wew s GLN 32 Cb -0.12 -2.43 -0.01 0.00 1.10 0.00 0.00 33.01 31.54 1wew s GLN 32 CO 0.02 0.11 1.09 0.00 -0.55 0.00 0.00 175.29 175.95 1wew n GLU 34 N 5.40 -0.18 -1.53 0.00 2.13 -0.41 -3.41 120.64 122.64 1wew n GLU 34 Ca 0.10 1.46 -0.55 0.00 0.66 0.00 0.00 57.16 58.83 1wew n GLU 34 Cb 0.47 -2.16 -0.07 0.00 0.27 0.00 0.00 31.44 29.95 1wew n GLU 34 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wew n ASP 35 N -5.43 0.56 0.01 4.31 2.03 -1.26 -4.78 116.55 111.98 1wew n ASP 35 Ca 0.11 1.14 -0.13 0.00 0.52 0.00 0.00 54.79 56.44 1wew n ASP 35 Cb 0.41 -1.04 -0.10 0.00 -0.72 0.00 0.00 41.12 39.67 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 3.39 -0.06 0.00 -0.67 0.13 -2.01 0.18 132.00 132.97 1wew h PRO 36 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wew h PRO 36 Cb 1.39 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1wew h PRO 36 CO 0.69 0.41 0.00 0.07 -0.23 0.00 0.00 178.00 178.94 1wew h ARG 37 N -0.55 0.00 0.00 0.86 -0.00 -1.94 -3.27 114.38 109.48 1wew h ARG 37 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1wew h ARG 37 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 1wew h ARG 37 CO 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 179.97 179.80 1wew n HIS 39 N -3.00 -1.01 -3.32 0.00 8.25 0.64 -4.89 115.22 111.88 1wew n HIS 39 Ca -0.03 0.33 -0.26 0.00 -0.26 0.00 0.00 57.72 57.50 1wew n HIS 39 Cb 0.09 -2.18 -0.02 0.00 1.12 0.00 0.00 29.99 29.01 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 -4.01 5.07 -0.28 1.59 -7.23 -1.26 -4.70 120.40 109.58 1wew s VAL 40 Ca 0.13 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 59.98 1wew s VAL 40 Cb -0.07 -3.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.05 1wew s VAL 40 CO 0.78 -0.49 0.08 0.26 -0.31 0.00 0.00 175.10 175.41 1wew s TRP 41 N -2.26 3.13 -0.16 2.82 0.52 -1.26 -2.08 118.94 119.64 1wew s TRP 41 Ca 0.42 -0.84 0.02 0.00 0.02 0.00 0.00 56.10 55.72 1wew s TRP 41 Cb -0.10 -2.25 0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1wew s TRP 41 CO 0.35 -0.53 -0.21 -0.65 0.02 0.00 0.00 176.95 175.94 1wew s GLN 42 N 1.53 2.96 -0.31 4.98 -0.21 -1.21 -3.25 119.66 124.15 1wew s GLN 42 Ca 0.04 -0.82 -0.43 0.00 0.02 0.00 0.00 55.36 54.16 1wew s GLN 42 Cb -0.17 -2.47 -0.19 0.00 1.00 0.00 0.00 33.01 31.19 1wew s GLN 42 CO 0.03 -0.11 1.50 0.72 -2.12 0.00 0.00 175.29 175.30 1wew n HIS 43 N 4.35 1.57 -0.34 0.91 8.25 -1.26 -3.72 115.22 124.98 1wew n HIS 43 Ca -0.20 0.97 0.02 0.00 -0.26 0.00 0.00 57.72 58.25 1wew n HIS 43 Cb 0.51 -2.25 0.16 0.00 1.12 0.00 0.00 29.99 29.53 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 4.51 1.05 0.00 1.59 2.07 -1.91 0.87 116.25 124.44 1wew h VAL 44 Ca -0.46 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1wew h VAL 44 Cb 1.37 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1wew h VAL 44 CO 0.89 0.19 0.00 0.61 0.02 0.00 0.00 177.57 179.29 1wew n GLY 45 N -1.35 -0.81 0.10 2.17 0.00 -1.25 0.12 105.19 104.17 1wew n GLY 45 Ca 0.14 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1wew n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wew h VAL 47 N -1.00 0.78 -3.56 0.00 -1.51 -1.40 -3.45 116.25 106.11 1wew h VAL 47 Ca -0.31 -2.49 -0.61 0.00 -1.23 0.00 0.00 66.70 62.06 1wew h VAL 47 Cb 1.17 2.56 -0.13 0.00 -2.13 0.00 0.00 31.29 32.76 1wew h VAL 47 CO -0.19 0.81 -0.23 -0.63 -1.23 0.00 0.00 177.57 176.10 1wew s ILE 48 N -2.58 5.20 -0.11 7.19 -1.09 0.31 -5.06 121.20 125.07 1wew s ILE 48 Ca -0.17 0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 58.63 1wew s ILE 48 Cb 0.07 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1wew s ILE 48 CO 0.80 0.23 0.79 -0.76 -1.23 0.00 0.00 174.94 174.77 1wew s LEU 49 N 1.53 4.25 0.88 2.97 1.43 -1.26 -3.92 118.68 124.57 1wew s LEU 49 Ca 0.17 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 1wew s LEU 49 Cb -0.15 -3.21 0.12 0.00 0.03 0.00 0.00 46.19 42.99 1wew s LEU 49 CO 0.08 -0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.33 1wew s PRO 50 N 1.48 1.36 -0.22 1.29 0.04 -1.26 -5.07 135.00 132.61 1wew s PRO 50 Ca 0.39 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 1wew s PRO 50 Cb -0.18 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.66 1wew s PRO 50 CO 0.17 -2.18 0.39 -0.51 0.04 0.00 0.00 177.00 174.91 1wew s ASP 51 N -3.43 0.02 0.10 6.66 1.01 -1.26 -5.05 116.67 114.72 1wew s ASP 51 Ca 0.63 0.54 -0.24 0.00 0.71 0.00 0.00 52.55 54.19 1wew s ASP 51 Cb -0.18 1.22 -0.11 0.00 1.01 0.00 0.00 42.92 44.86 1wew s ASP 51 CO 0.57 -0.27 1.70 0.50 0.21 0.00 0.00 175.17 177.87 1wew h LYS 52 N 8.18 -0.20 -0.11 8.23 3.64 -2.01 -3.16 116.57 131.14 1wew h LYS 52 Ca -0.18 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1wew h LYS 52 Cb 1.14 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1wew h LYS 52 CO 0.21 -0.13 -0.10 -1.00 -2.27 0.00 0.00 179.45 176.15 1wew h PRO 53 N -0.21 0.26 -2.54 1.90 0.13 -2.02 -3.29 132.00 126.23 1wew h PRO 53 Ca 0.02 -0.14 -0.29 0.00 -0.87 0.00 0.00 66.00 64.73 1wew h PRO 53 Cb 0.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 1wew h PRO 53 CO -0.06 0.67 1.00 -1.33 -0.23 0.00 0.00 178.00 178.05 1wew n MET 54 N -4.64 2.08 -2.09 0.86 2.81 -1.20 -4.89 117.12 110.06 1wew n MET 54 Ca -0.07 -1.17 -0.28 0.00 -1.81 0.00 0.00 57.70 54.37 1wew n MET 54 Cb 0.33 -2.16 0.14 0.00 -0.71 0.00 0.00 33.22 30.83 1wew n MET 54 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1wew s ASP 55 N 2.38 3.77 0.00 7.83 1.47 -1.23 -4.67 116.67 126.21 1wew s ASP 55 Ca 0.55 0.25 0.00 0.00 1.18 0.00 0.00 52.55 54.52 1wew s ASP 55 Cb 0.22 -0.50 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 1wew s ASP 55 CO -0.02 -2.30 0.00 0.61 0.68 0.00 0.00 175.17 174.14 1wew n GLY 56 N -3.42 0.29 3.42 2.12 0.00 -1.26 -4.43 105.19 101.91 1wew n GLY 56 Ca 0.13 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 1wew n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wew s ASN 57 N -4.00 3.38 0.35 1.61 0.01 -1.26 -3.50 114.94 111.53 1wew s ASN 57 Ca 0.00 -0.86 -0.27 0.00 -0.71 0.00 0.00 52.86 51.01 1wew s ASN 57 Cb 0.00 -0.25 -0.09 0.00 0.41 0.00 0.00 41.25 41.32 1wew s ASN 57 CO 0.00 0.11 1.21 -2.16 -1.51 0.00 0.00 177.10 174.76 1wew s PRO 58 N -2.65 4.29 1.20 -0.60 0.04 -1.26 -4.88 135.00 131.13 1wew s PRO 58 Ca 0.20 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1wew s PRO 58 Cb -0.08 -2.94 0.28 0.00 0.04 0.00 0.00 34.50 31.80 1wew s PRO 58 CO 0.09 -0.16 1.11 -1.25 0.04 0.00 0.00 177.00 176.83 1wew s PRO 59 N -1.92 -1.18 0.74 0.56 0.04 -1.23 -4.97 135.00 127.04 1wew s PRO 59 Ca 0.51 -0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1wew s PRO 59 Cb -0.35 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1wew s PRO 59 CO 0.45 -3.68 0.52 1.28 0.04 0.00 0.00 177.00 175.61 1wew n LEU 60 N -4.74 0.78 -4.73 -3.56 4.77 -1.26 -4.89 117.00 103.36 1wew n LEU 60 Ca 0.13 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.27 1wew n LEU 60 Cb 0.59 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 1wew n LEU 60 CO 0.45 -3.14 1.00 -2.16 -1.33 0.00 0.00 177.39 172.21 1wew s PRO 61 N -2.82 4.38 0.31 3.23 0.04 -1.26 -4.93 135.00 133.95 1wew s PRO 61 Ca 0.65 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.75 1wew s PRO 61 Cb -0.34 -3.21 0.58 0.00 0.04 0.00 0.00 34.50 31.56 1wew s PRO 61 CO 0.59 -0.29 1.91 0.93 0.04 0.00 0.00 177.00 180.17 1wew h GLU 62 N 5.76 0.94 -6.11 4.56 4.39 -2.03 -3.43 114.58 118.67 1wew h GLU 62 Ca -0.44 -0.06 -0.57 0.00 0.34 0.00 0.00 59.36 58.64 1wew h GLU 62 Cb 1.21 -0.21 -0.10 0.00 -0.10 0.00 0.00 28.75 29.55 1wew h GLU 62 CO 0.79 0.62 -0.61 -1.54 -1.16 0.00 0.00 179.01 177.11 1wew s SER 63 N -6.00 4.40 -0.20 1.42 1.04 -1.26 -5.01 113.70 108.09 1wew s SER 63 Ca -0.11 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.21 1wew s SER 63 Cb 0.20 -0.68 0.13 0.00 0.10 0.00 0.00 66.02 65.77 1wew s SER 63 CO 0.80 -0.16 1.03 0.12 0.98 0.00 0.00 173.24 176.01 1wew s PHE 64 N -2.43 -0.37 -0.11 5.02 2.19 -1.26 -5.02 117.98 116.00 1wew s PHE 64 Ca 0.34 0.72 -0.01 0.00 0.33 0.00 0.00 56.93 58.32 1wew s PHE 64 Cb -0.03 0.43 0.03 0.00 -1.31 0.00 0.00 43.02 42.14 1wew s PHE 64 CO 0.20 -0.29 -0.04 0.71 1.83 0.00 0.00 175.22 177.62 1wew s TYR 65 N -0.75 1.22 1.22 10.12 2.02 -1.26 -1.28 117.35 128.64 1wew s TYR 65 Ca 0.00 -0.60 -0.19 0.00 -0.37 0.00 0.00 57.07 55.91 1wew s TYR 65 Cb -0.02 -1.09 0.30 0.00 -0.40 0.00 0.00 41.96 40.75 1wew s TYR 65 CO -0.01 -0.47 0.67 0.00 -1.57 0.00 0.00 175.55 174.17 1wew h GLU 67 N 0.00 0.00 0.00 0.00 4.11 -1.98 -0.52 114.58 116.19 1wew h GLU 67 Ca -0.31 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.03 1wew h GLU 67 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1wew h GLU 67 CO 0.18 0.37 -0.43 0.82 0.07 0.00 0.00 179.01 180.02 1wew h ILE 68 N 0.00 0.92 0.08 -1.06 2.04 -1.95 -2.60 117.51 114.94 1wew h ILE 68 Ca -0.00 -1.76 -0.37 0.00 1.00 0.00 0.00 64.86 63.72 1wew h ILE 68 Cb 0.94 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 1wew h ILE 68 CO 0.05 0.42 -2.16 0.00 0.00 0.00 0.00 178.15 176.46 1wew h ARG 70 N 0.05 1.01 -0.35 0.00 0.11 -1.16 -2.56 114.38 111.47 1wew h ARG 70 Ca -0.48 -0.12 -0.15 0.00 0.10 0.00 0.00 59.98 59.32 1wew h ARG 70 Cb 1.99 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.87 1wew h ARG 70 CO 0.03 0.76 -0.39 1.37 0.10 0.00 0.00 179.97 181.84 1wew h LEU 71 N 1.01 0.90 -7.98 0.08 8.10 -1.64 -3.37 115.31 112.40 1wew h LEU 71 Ca 0.25 -0.41 -0.58 0.00 0.11 0.00 0.00 57.88 57.25 1wew h LEU 71 Cb 0.07 -0.25 -0.08 0.00 -0.44 0.00 0.00 40.66 39.96 1wew h LEU 71 CO -0.04 1.18 1.72 0.42 -4.11 0.00 0.00 178.44 177.62 1wew s THR 72 N -4.35 3.93 -0.17 0.15 -4.23 -0.97 -4.88 115.64 105.12 1wew s THR 72 Ca -0.10 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1wew s THR 72 Cb 0.11 -4.98 0.06 0.00 1.34 0.00 0.00 72.50 69.04 1wew s THR 72 CO 0.87 -1.78 0.41 -0.55 -0.54 0.00 0.00 174.62 173.03 1wew s SER 73 N 5.06 -0.51 0.00 3.99 0.15 -1.26 -4.92 113.70 116.20 1wew s SER 73 Ca 0.55 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1wew s SER 73 Cb 0.01 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1wew s SER 73 CO 0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1wew n GLY 74 N 4.30 1.49 0.18 9.45 0.00 -1.26 -5.01 105.19 114.33 1wew n GLY 74 Ca -0.23 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 0.20 -6.66 1.61 0.13 -2.03 -3.43 132.00 121.82 1wew h PRO 75 Ca 0.00 -0.11 -0.52 0.00 -0.87 0.00 0.00 66.00 64.51 1wew h PRO 75 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1wew h PRO 75 CO 0.00 0.63 0.51 -1.54 -0.23 0.00 0.00 178.00 177.37 1wew s SER 76 N -6.88 7.19 0.01 1.44 1.04 -1.26 -5.02 113.70 110.21 1wew s SER 76 Ca -0.04 2.14 -0.28 0.00 0.48 0.00 0.00 55.95 58.25 1wew s SER 76 Cb 0.13 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.74 1wew s SER 76 CO 0.77 -0.28 0.82 -0.55 0.98 0.00 0.00 173.24 174.98 1wew s SER 77 N 0.00 -0.44 0.00 7.02 0.15 -1.26 -5.18 113.70 113.99 1wew s SER 77 Ca 0.51 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wew s SER 77 Cb -0.31 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1wew s SER 77 CO 0.36 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.74