#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wap s PHE 9 N 0.00 0.62 0.02 1.24 -0.12 -1.26 -1.67 117.98 116.82 1wap s PHE 9 Ca 0.00 -0.98 0.06 0.00 -0.05 0.00 0.00 56.93 55.96 1wap s PHE 9 Cb 0.00 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1wap s PHE 9 CO 0.00 -0.65 -0.17 0.14 -0.05 0.00 0.00 175.22 174.48 1wap s VAL 10 N -4.01 1.38 -0.15 -2.49 -7.23 0.11 -4.67 120.40 103.33 1wap s VAL 10 Ca 0.22 -0.98 -0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1wap s VAL 10 Cb 0.05 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1wap s VAL 10 CO 0.02 0.19 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.24 1wap s VAL 11 N -0.69 3.57 -0.09 1.32 1.01 -0.23 -1.42 120.40 123.87 1wap s VAL 11 Ca 0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1wap s VAL 11 Cb -0.08 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1wap s VAL 11 CO 0.01 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 1wap s ILE 12 N 0.46 0.82 -0.17 2.22 1.01 0.04 -1.51 121.20 124.07 1wap s ILE 12 Ca -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1wap s ILE 12 Cb -0.15 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1wap s ILE 12 CO 0.03 0.32 -0.09 -0.75 0.00 0.00 0.00 174.94 174.46 1wap s LYS 13 N 1.52 3.41 -0.09 2.79 2.20 -0.30 -0.30 119.74 128.97 1wap s LYS 13 Ca 0.00 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1wap s LYS 13 Cb -0.13 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1wap s LYS 13 CO -0.05 0.04 1.30 0.00 -0.36 0.00 0.00 175.35 176.29 1wap s ALA 14 N 0.82 3.59 -0.17 3.13 0.00 -0.26 -1.22 121.76 127.65 1wap s ALA 14 Ca -0.03 0.63 0.21 0.00 0.00 0.00 0.00 51.96 52.78 1wap s ALA 14 Cb -0.15 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 1wap s ALA 14 CO 0.01 -1.00 0.86 1.33 0.00 0.00 0.00 175.76 176.96 1wap n VAL 15 N 4.99 0.60 -4.30 0.00 0.24 -0.17 -0.75 118.33 118.93 1wap n VAL 15 Ca 0.13 -0.57 -0.16 0.00 -2.04 0.00 0.00 64.34 61.70 1wap n VAL 15 Cb 0.45 -0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.39 1wap n VAL 15 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wap s GLU 16 N -3.31 1.41 0.57 7.34 0.41 -1.12 -4.71 118.70 119.29 1wap s GLU 16 Ca -0.03 -1.77 -0.19 0.00 -0.41 0.00 0.00 54.97 52.57 1wap s GLU 16 Cb 0.10 -0.12 -0.05 0.00 -1.78 0.00 0.00 34.13 32.29 1wap s GLU 16 CO 0.82 -0.35 1.14 -0.51 -0.49 0.00 0.00 175.26 175.87 1wap s ASP 17 N -3.30 5.56 0.00 -0.19 1.01 -1.26 -3.18 116.67 115.31 1wap s ASP 17 Ca 0.38 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1wap s ASP 17 Cb 0.07 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1wap s ASP 17 CO 0.14 -1.33 0.00 0.61 0.21 0.00 0.00 175.17 174.80 1wap n GLY 18 N 0.13 0.63 3.75 0.21 0.00 -1.23 -4.85 105.19 103.83 1wap n GLY 18 Ca 0.12 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1wap n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wap s VAL 19 N -2.00 3.53 -0.09 1.61 1.01 -0.98 -4.74 120.40 118.75 1wap s VAL 19 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1wap s VAL 19 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1wap s VAL 19 CO 0.00 0.30 -0.15 0.20 0.00 0.00 0.00 175.10 175.45 1wap s ASN 20 N -0.48 3.90 -0.29 3.32 -0.87 -0.13 -0.74 114.94 119.65 1wap s ASN 20 Ca 0.48 -0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 51.41 1wap s ASN 20 Cb -0.32 -1.21 0.02 0.00 -0.02 0.00 0.00 41.25 39.72 1wap s ASN 20 CO 0.39 0.25 0.06 -0.69 -2.57 0.00 0.00 177.10 174.54 1wap s VAL 21 N -0.15 3.71 -0.16 1.60 1.01 0.66 -1.53 120.40 125.53 1wap s VAL 21 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1wap s VAL 21 Cb -0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1wap s VAL 21 CO 0.03 0.05 -0.02 -0.63 0.00 0.00 0.00 175.10 174.53 1wap s ILE 22 N 1.44 3.98 -0.15 2.22 1.01 0.20 -0.03 121.20 129.87 1wap s ILE 22 Ca 0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1wap s ILE 22 Cb -0.18 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1wap s ILE 22 CO 0.01 0.48 0.33 -0.83 0.00 0.00 0.00 174.94 174.94 1wap s GLY 23 N 0.45 2.25 -0.07 6.18 0.00 0.09 -0.98 107.32 115.24 1wap s GLY 23 Ca -0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 1wap s GLY 23 CO 0.03 0.50 0.15 1.08 0.00 0.00 0.00 173.10 174.86 1wap s LEU 24 N 0.48 4.35 0.26 0.66 1.43 -0.05 -0.65 118.68 125.17 1wap s LEU 24 Ca 0.19 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1wap s LEU 24 Cb -0.13 -2.30 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 1wap s LEU 24 CO 0.05 0.34 1.37 0.42 0.23 0.00 0.00 176.35 178.76 1wap s THR 25 N -1.15 2.81 0.27 5.49 -4.23 0.32 -2.65 115.64 116.49 1wap s THR 25 Ca 0.20 0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 61.13 1wap s THR 25 Cb -0.12 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1wap s THR 25 CO 0.10 0.13 1.02 -0.60 -0.54 0.00 0.00 174.62 174.73 1wap s ARG 26 N -0.75 4.72 0.00 3.99 3.52 -0.62 -4.51 118.95 125.31 1wap s ARG 26 Ca 0.55 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.78 1wap s ARG 26 Cb -0.40 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1wap s ARG 26 CO 0.45 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 1wap n GLY 27 N 1.27 0.71 0.28 8.12 0.00 -1.26 -4.81 105.19 109.50 1wap n GLY 27 Ca -0.01 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 43.96 1wap n GLY 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wap h THR 28 N 0.00 1.15 -3.03 2.61 1.35 -2.05 -3.42 112.91 109.51 1wap h THR 28 Ca 0.00 -0.54 -0.60 0.00 -0.55 0.00 0.00 66.41 64.72 1wap h THR 28 Cb 0.00 0.87 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 1wap h THR 28 CO 0.00 0.19 -0.41 -1.81 -0.25 0.00 0.00 175.52 173.24 1wap s ASP 29 N -6.78 6.43 -0.32 5.36 1.01 -1.26 -5.10 116.67 116.02 1wap s ASP 29 Ca -0.07 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.64 1wap s ASP 29 Cb 0.16 -2.03 0.10 0.00 1.01 0.00 0.00 42.92 42.16 1wap s ASP 29 CO 0.74 0.12 0.06 -0.89 0.21 0.00 0.00 175.17 175.40 1wap s THR 30 N -1.57 1.63 0.05 -1.27 2.01 -1.26 -4.57 115.64 110.66 1wap s THR 30 Ca 0.38 -1.85 0.02 0.00 0.31 0.00 0.00 61.69 60.55 1wap s THR 30 Cb -0.13 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1wap s THR 30 CO 0.26 -0.58 -0.08 -0.54 -0.69 0.00 0.00 174.62 172.99 1wap s LYS 31 N 1.24 0.58 0.06 4.92 1.02 -1.26 -4.88 119.74 121.42 1wap s LYS 31 Ca 0.09 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 54.91 1wap s LYS 31 Cb -0.18 -0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 36.78 1wap s LYS 31 CO -0.15 0.04 1.69 -0.06 -0.92 0.00 0.00 175.35 175.94 1wap s PHE 32 N -1.80 2.29 -0.27 3.18 0.40 -1.26 -0.52 117.98 119.99 1wap s PHE 32 Ca -0.06 0.23 0.15 0.00 -0.60 0.00 0.00 56.93 56.65 1wap s PHE 32 Cb -0.07 -4.00 -0.21 0.00 0.51 0.00 0.00 43.02 39.25 1wap s PHE 32 CO -0.01 -4.06 0.45 -2.39 0.70 0.00 0.00 175.22 169.91 1wap n HIS 33 N 5.85 0.00 -3.63 0.36 1.44 0.18 -4.92 115.22 114.50 1wap n HIS 33 Ca 0.16 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.77 1wap n HIS 33 Cb 0.40 -0.22 -0.07 0.00 0.12 0.00 0.00 29.99 30.22 1wap n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1wap s HIS 34 N -2.82 -0.55 -0.21 -1.40 5.65 -1.24 -5.00 115.29 109.71 1wap s HIS 34 Ca -0.01 1.32 0.01 0.00 0.25 0.00 0.00 55.06 56.62 1wap s HIS 34 Cb 0.10 0.35 0.05 0.00 -1.18 0.00 0.00 32.58 31.90 1wap s HIS 34 CO 0.63 -0.28 -0.07 0.45 -0.65 0.00 0.00 174.74 174.81 1wap s SER 35 N 0.15 3.56 -0.20 9.88 0.15 -1.26 -0.73 113.70 125.25 1wap s SER 35 Ca 0.02 -1.01 -0.18 0.00 0.70 0.00 0.00 55.95 55.48 1wap s SER 35 Cb -0.05 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.06 1wap s SER 35 CO -0.03 -0.19 0.48 -0.70 1.20 0.00 0.00 173.24 173.99 1wap s GLU 36 N 1.42 4.19 -0.01 5.44 2.56 0.95 -4.89 118.70 128.37 1wap s GLU 36 Ca -0.03 0.35 -0.27 0.00 0.00 0.00 0.00 54.97 55.01 1wap s GLU 36 Cb -0.17 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.37 1wap s GLU 36 CO -0.07 -0.11 0.85 0.15 -0.56 0.00 0.00 175.26 175.52 1wap s LYS 37 N 1.52 4.52 -0.12 4.30 1.02 -1.26 -0.25 119.74 129.47 1wap s LYS 37 Ca 0.23 1.19 0.02 0.00 0.02 0.00 0.00 55.97 57.43 1wap s LYS 37 Cb -0.15 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1wap s LYS 37 CO 0.09 0.06 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.87 1wap s LEU 38 N 0.70 2.32 0.37 3.17 1.43 0.08 -4.98 118.68 121.78 1wap s LEU 38 Ca 0.45 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1wap s LEU 38 Cb -0.20 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1wap s LEU 38 CO 0.24 0.14 0.62 -1.81 0.23 0.00 0.00 176.35 175.77 1wap s ASP 39 N 0.47 6.33 -0.12 2.29 1.01 -1.26 -2.31 116.67 123.07 1wap s ASP 39 Ca -0.13 0.66 -0.40 0.00 0.71 0.00 0.00 52.55 53.38 1wap s ASP 39 Cb -0.17 -2.12 -0.18 0.00 1.01 0.00 0.00 42.92 41.46 1wap s ASP 39 CO 0.06 -0.35 1.41 1.17 0.21 0.00 0.00 175.17 177.66 1wap n LYS 40 N -1.71 0.65 -0.11 8.23 4.81 -1.19 -1.52 118.16 127.32 1wap n LYS 40 Ca -0.02 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1wap n LYS 40 Cb 0.55 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1wap n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wap n GLY 41 N 2.88 1.02 3.92 3.14 0.00 0.07 -4.96 105.19 111.27 1wap n GLY 41 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1wap n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wap s GLU 42 N -0.62 3.51 -0.00 1.61 2.02 -0.58 -4.82 118.70 119.83 1wap s GLU 42 Ca 0.00 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 54.97 1wap s GLU 42 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1wap s GLU 42 CO 0.00 -0.03 -0.14 0.08 0.02 0.00 0.00 175.26 175.19 1wap s VAL 43 N -2.53 1.07 -0.03 2.63 1.01 -1.26 -1.10 120.40 120.19 1wap s VAL 43 Ca 0.44 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1wap s VAL 43 Cb -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1wap s VAL 43 CO 0.40 0.25 -0.18 -0.51 0.00 0.00 0.00 175.10 175.07 1wap s ILE 44 N -0.41 1.43 -0.23 2.22 2.07 0.58 -4.98 121.20 121.88 1wap s ILE 44 Ca 0.05 -0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 58.51 1wap s ILE 44 Cb -0.06 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1wap s ILE 44 CO -0.00 0.41 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.77 1wap s ILE 45 N -0.15 3.24 -0.03 2.00 1.09 -1.26 -0.78 121.20 125.31 1wap s ILE 45 Ca 0.01 -0.68 0.05 0.00 -1.10 0.00 0.00 60.65 58.92 1wap s ILE 45 Cb -0.10 -2.54 -0.01 0.00 -1.06 0.00 0.00 42.46 38.76 1wap s ILE 45 CO 0.01 0.33 -0.16 0.00 -0.10 0.00 0.00 174.94 175.01 1wap s ALA 46 N 1.43 1.42 0.37 9.38 0.00 -0.51 -4.94 121.76 128.91 1wap s ALA 46 Ca 0.04 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1wap s ALA 46 Cb -0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1wap s ALA 46 CO -0.03 0.30 0.56 -0.65 0.00 0.00 0.00 175.76 175.94 1wap s GLN 47 N -0.18 3.33 0.28 0.00 -0.21 -1.26 -0.71 119.66 120.90 1wap s GLN 47 Ca 0.02 -0.47 -0.25 0.00 0.02 0.00 0.00 55.36 54.67 1wap s GLN 47 Cb -0.09 -2.66 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 1wap s GLN 47 CO 0.01 0.04 0.89 -0.06 -2.12 0.00 0.00 175.29 174.04 1wap s PHE 48 N -2.35 3.75 0.35 0.91 0.08 -0.67 -4.95 117.98 115.11 1wap s PHE 48 Ca 0.42 1.72 0.02 0.00 0.12 0.00 0.00 56.93 59.21 1wap s PHE 48 Cb -0.10 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1wap s PHE 48 CO 0.36 0.30 0.43 0.95 -0.10 0.00 0.00 175.22 177.15 1wap s THR 49 N -1.49 0.00 0.45 0.64 -4.23 -0.27 -4.68 115.64 106.06 1wap s THR 49 Ca 0.46 -1.72 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 1wap s THR 49 Cb -0.20 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.41 1wap s THR 49 CO 0.25 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.88 1wap h GLU 50 N 2.08 0.28 0.00 3.99 3.07 -2.02 -2.65 114.58 119.33 1wap h GLU 50 Ca -0.27 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1wap h GLU 50 Cb 1.24 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1wap h GLU 50 CO 0.37 0.19 -1.76 0.72 -1.40 0.00 0.00 179.01 177.14 1wap n HIS 51 N -4.45 0.00 -4.02 4.33 8.25 -1.26 -4.62 115.22 113.44 1wap n HIS 51 Ca 0.18 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 1wap n HIS 51 Cb 0.73 -0.38 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 1wap n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wap s THR 52 N -3.37 1.79 -0.19 1.59 2.01 -1.00 -1.58 115.64 114.89 1wap s THR 52 Ca -0.04 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.85 1wap s THR 52 Cb 0.14 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1wap s THR 52 CO 0.88 0.18 0.71 -1.54 -0.69 0.00 0.00 174.62 174.16 1wap n SER 53 N 4.63 1.46 -3.70 3.53 3.41 -1.08 -1.12 113.62 120.76 1wap n SER 53 Ca -0.15 -1.37 -0.14 0.00 -0.26 0.00 0.00 58.87 56.95 1wap n SER 53 Cb 0.46 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1wap n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wap s ALA 54 N -0.42 -1.17 -0.06 7.33 0.00 -1.25 -5.02 121.76 121.17 1wap s ALA 54 Ca 0.03 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1wap s ALA 54 Cb 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1wap s ALA 54 CO 0.02 -0.26 -0.10 0.42 0.00 0.00 0.00 175.76 175.85 1wap s ILE 55 N -0.36 0.99 0.02 0.00 1.01 -1.26 -0.87 121.20 120.72 1wap s ILE 55 Ca -0.05 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1wap s ILE 55 Cb -0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1wap s ILE 55 CO 0.03 0.33 -0.09 -0.54 0.00 0.00 0.00 174.94 174.67 1wap s LYS 56 N 0.82 2.44 -0.12 2.79 1.02 -0.15 -4.96 119.74 121.59 1wap s LYS 56 Ca -0.12 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.10 1wap s LYS 56 Cb -0.15 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1wap s LYS 56 CO 0.02 0.59 -0.17 0.08 -0.92 0.00 0.00 175.35 174.94 1wap s VAL 57 N -0.99 1.67 -0.09 3.17 1.01 -1.26 -0.62 120.40 123.28 1wap s VAL 57 Ca 0.17 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1wap s VAL 57 Cb -0.11 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1wap s VAL 57 CO 0.07 0.47 -0.12 -0.60 0.00 0.00 0.00 175.10 174.93 1wap s ARG 58 N 0.93 1.78 0.00 2.72 3.52 -0.58 -4.96 118.95 122.36 1wap s ARG 58 Ca -0.07 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wap s ARG 58 Cb -0.15 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1wap s ARG 58 CO -0.02 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1wap n GLY 59 N 4.21 1.43 3.60 8.12 0.00 -1.25 -0.95 105.19 120.35 1wap n GLY 59 Ca -0.19 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 1wap n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wap s GLU 60 N -1.47 3.87 -0.03 1.61 2.12 -1.26 -3.29 118.70 120.25 1wap s GLU 60 Ca 0.00 0.40 -0.23 0.00 0.36 0.00 0.00 54.97 55.50 1wap s GLU 60 Cb 0.00 -3.75 0.05 0.00 0.26 0.00 0.00 34.13 30.68 1wap s GLU 60 CO 0.00 -0.70 0.49 0.00 -0.54 0.00 0.00 175.26 174.52 1wap s ALA 61 N 2.88 -1.28 -0.21 6.30 0.00 -0.88 -1.00 121.76 127.57 1wap s ALA 61 Ca 0.30 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1wap s ALA 61 Cb -0.14 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1wap s ALA 61 CO 0.14 -0.31 0.19 -1.17 0.00 0.00 0.00 175.76 174.60 1wap s LEU 62 N -1.25 4.17 -0.07 0.00 2.96 -0.36 -1.18 118.68 122.95 1wap s LEU 62 Ca -0.12 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1wap s LEU 62 Cb -0.03 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1wap s LEU 62 CO 0.07 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.37 1wap s ILE 63 N 0.72 2.49 -0.08 6.68 1.01 0.41 -1.15 121.20 131.27 1wap s ILE 63 Ca 0.10 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1wap s ILE 63 Cb -0.13 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1wap s ILE 63 CO 0.02 0.56 -0.23 -1.10 0.00 0.00 0.00 174.94 174.19 1wap s GLN 64 N -0.16 2.79 0.38 2.79 -0.21 -0.57 -0.80 119.66 123.88 1wap s GLN 64 Ca -0.03 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.55 1wap s GLN 64 Cb -0.14 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 1wap s GLN 64 CO 0.04 0.23 0.17 0.95 -2.12 0.00 0.00 175.29 174.55 1wap s THR 65 N 0.20 0.43 0.59 -0.19 -4.23 -0.60 -1.07 115.64 110.77 1wap s THR 65 Ca -0.14 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.66 1wap s THR 65 Cb -0.16 -2.40 0.37 0.00 1.34 0.00 0.00 72.50 71.65 1wap s THR 65 CO 0.07 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.12 1wap h ALA 66 N 1.91 2.03 -0.10 3.99 0.00 -2.01 -1.63 119.26 123.46 1wap h ALA 66 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wap h ALA 66 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wap h ALA 66 CO 0.52 -0.55 0.00 0.66 0.00 0.00 0.00 179.25 179.87 1wap n TYR 67 N -3.74 0.10 0.00 0.00 4.01 -1.26 -5.07 117.16 111.20 1wap n TYR 67 Ca 0.06 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wap n TYR 67 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1wap n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wap n GLY 68 N 1.26 0.41 3.83 2.72 0.00 -0.61 -5.06 105.19 107.73 1wap n GLY 68 Ca 0.17 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 1wap n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wap s GLU 69 N -0.08 3.20 0.01 1.61 2.02 -1.26 -1.56 118.70 122.64 1wap s GLU 69 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1wap s GLU 69 Cb 0.00 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 1wap s GLU 69 CO 0.00 0.66 -0.02 1.41 0.02 0.00 0.00 175.26 177.33 1wap s MET 70 N -1.82 0.19 -0.18 1.61 1.75 0.01 -5.01 119.30 115.85 1wap s MET 70 Ca 0.25 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.31 1wap s MET 70 Cb -0.12 0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.62 1wap s MET 70 CO 0.16 -0.03 -0.17 0.21 -0.65 0.00 0.00 175.02 174.54 1wap s LYS 71 N -0.89 3.07 0.33 4.11 2.47 -1.26 -0.44 119.74 127.13 1wap s LYS 71 Ca -0.10 -0.79 -0.16 0.00 -1.56 0.00 0.00 55.97 53.37 1wap s LYS 71 Cb -0.06 -2.64 -0.09 0.00 -1.46 0.00 0.00 37.83 33.57 1wap s LYS 71 CO -0.01 -0.19 0.76 -1.54 0.16 0.00 0.00 175.35 174.54 1wap s SER 72 N 1.28 6.79 0.15 1.43 1.04 -0.32 -4.96 113.70 119.11 1wap s SER 72 Ca 0.04 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.88 1wap s SER 72 Cb -0.13 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1wap s SER 72 CO -0.10 -0.22 -0.11 -1.61 0.98 0.00 0.00 173.24 172.17 1wap s GLU 73 N -3.01 2.02 0.00 4.02 0.41 -1.21 -2.07 118.70 118.87 1wap s GLU 73 Ca 0.55 -1.20 0.26 0.00 -0.41 0.00 0.00 54.97 54.17 1wap s GLU 73 Cb -0.10 -2.18 1.53 0.00 -1.78 0.00 0.00 34.13 31.60 1wap s GLU 73 CO 0.17 0.46 1.89 1.17 -0.49 0.00 0.00 175.26 178.45