#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 0.49 0.05 -0.67 -0.12 -1.26 -2.02 117.98 114.44 1wap s PHE 9 Ca 0.00 -0.83 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 1wap s PHE 9 Cb 0.00 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1wap s PHE 9 CO 0.00 -0.76 -0.19 0.14 -0.05 0.00 0.00 175.22 174.35 1wap s VAL 10 N -4.00 1.55 -0.21 -2.49 -7.23 -0.14 -4.67 120.40 103.21 1wap s VAL 10 Ca 0.21 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 1wap s VAL 10 Cb 0.03 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1wap s VAL 10 CO 0.03 0.13 0.02 -0.69 -0.31 0.00 0.00 175.10 174.28 1wap s VAL 11 N -0.86 4.12 -0.10 1.32 1.01 -0.46 -0.73 120.40 124.70 1wap s VAL 11 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1wap s VAL 11 Cb -0.09 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1wap s VAL 11 CO 0.02 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 1wap s ILE 12 N 1.03 1.34 -0.17 2.22 1.01 0.38 -1.32 121.20 125.68 1wap s ILE 12 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1wap s ILE 12 Cb -0.14 -1.24 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 1wap s ILE 12 CO 0.02 0.41 -0.12 -0.75 0.00 0.00 0.00 174.94 174.50 1wap s LYS 13 N 1.01 3.28 0.05 2.79 2.20 0.34 -0.60 119.74 128.81 1wap s LYS 13 Ca -0.07 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1wap s LYS 13 Cb -0.15 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 1wap s LYS 13 CO -0.01 -0.02 1.19 0.00 -0.36 0.00 0.00 175.35 176.16 1wap s ALA 14 N 0.93 3.39 -0.32 3.13 0.00 -0.50 -0.98 121.76 127.42 1wap s ALA 14 Ca -0.02 0.82 0.22 0.00 0.00 0.00 0.00 51.96 52.98 1wap s ALA 14 Cb -0.15 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.29 1wap s ALA 14 CO -0.01 -0.46 0.69 0.28 0.00 0.00 0.00 175.76 176.26 1wap n VAL 15 N 3.99 0.08 -4.14 0.00 0.31 -0.06 0.19 118.33 118.69 1wap n VAL 15 Ca 0.09 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1wap n VAL 15 Cb 0.46 0.20 -0.09 0.00 -0.91 0.00 0.00 33.84 33.50 1wap n VAL 15 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1wap s GLU 16 N -3.36 1.11 0.63 5.55 -1.05 -1.17 -4.69 118.70 115.72 1wap s GLU 16 Ca -0.03 -1.48 -0.17 0.00 -0.15 0.00 0.00 54.97 53.14 1wap s GLU 16 Cb 0.14 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 34.10 1wap s GLU 16 CO 0.88 -0.36 1.16 -0.51 0.95 0.00 0.00 175.26 177.38 1wap s ASP 17 N -3.09 5.11 -0.58 0.83 1.01 -1.26 -3.55 116.67 115.14 1wap s ASP 17 Ca 0.30 2.22 -0.01 0.00 0.71 0.00 0.00 52.55 55.77 1wap s ASP 17 Cb 0.06 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1wap s ASP 17 CO 0.07 -1.64 0.18 0.61 0.21 0.00 0.00 175.17 174.60 1wap n GLY 18 N 0.11 0.20 3.80 0.21 0.00 -1.23 -4.87 105.19 103.41 1wap n GLY 18 Ca 0.12 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.69 4.07 -0.06 1.61 1.01 -0.98 -4.74 120.40 118.62 1wap s VAL 19 Ca 0.09 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.50 1wap s VAL 19 Cb -0.04 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1wap s VAL 19 CO 0.11 -0.18 -0.18 0.20 0.00 0.00 0.00 175.10 175.05 1wap s ASN 20 N -1.94 2.32 -0.34 3.32 0.01 -0.08 -0.91 114.94 117.32 1wap s ASN 20 Ca 0.61 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1wap s ASN 20 Cb -0.15 -0.88 0.05 0.00 0.41 0.00 0.00 41.25 40.68 1wap s ASN 20 CO 0.19 0.12 0.09 -0.69 -1.51 0.00 0.00 177.10 175.31 1wap s VAL 21 N 0.29 3.62 -0.19 1.60 1.01 0.17 -1.53 120.40 125.35 1wap s VAL 21 Ca -0.11 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.58 1wap s VAL 21 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1wap s VAL 21 CO 0.04 -0.20 0.02 -0.63 0.00 0.00 0.00 175.10 174.33 1wap s ILE 22 N 1.36 4.23 -0.14 2.22 1.01 0.26 0.08 121.20 130.22 1wap s ILE 22 Ca -0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 1wap s ILE 22 Cb -0.20 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1wap s ILE 22 CO 0.02 0.43 0.68 -0.83 0.00 0.00 0.00 174.94 175.25 1wap s GLY 23 N 0.81 2.30 -0.02 6.18 0.00 -0.19 -0.70 107.32 115.70 1wap s GLY 23 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1wap s GLY 23 CO 0.02 1.29 0.22 1.08 0.00 0.00 0.00 173.10 175.71 1wap s LEU 24 N 1.45 4.37 0.21 0.66 1.02 -0.19 -1.09 118.68 125.10 1wap s LEU 24 Ca 0.34 0.46 -0.30 0.00 0.02 0.00 0.00 54.13 54.65 1wap s LEU 24 Cb -0.17 -2.56 -0.09 0.00 0.02 0.00 0.00 46.19 43.40 1wap s LEU 24 CO 0.14 0.28 1.22 0.42 0.02 0.00 0.00 176.35 178.43 1wap s THR 25 N -1.27 3.40 0.23 5.49 -4.23 -0.17 -2.56 115.64 116.53 1wap s THR 25 Ca 0.26 1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 61.68 1wap s THR 25 Cb -0.13 -3.77 -0.09 0.00 1.34 0.00 0.00 72.50 69.85 1wap s THR 25 CO 0.15 0.21 1.06 -0.60 -0.54 0.00 0.00 174.62 174.90 1wap s ARG 26 N -0.46 4.67 0.00 3.99 3.52 -0.73 -4.51 118.95 125.44 1wap s ARG 26 Ca 0.53 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1wap s ARG 26 Cb -0.34 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1wap s ARG 26 CO 0.39 0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.52 1wap n GLY 27 N 1.55 0.72 0.30 8.12 0.00 -1.26 -4.84 105.19 109.78 1wap n GLY 27 Ca -0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 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 1.20 -2.81 2.61 1.35 -2.05 -3.43 112.91 109.78 1wap h THR 28 Ca 0.00 -0.69 -0.59 0.00 -0.55 0.00 0.00 66.41 64.58 1wap h THR 28 Cb 0.00 0.68 -0.04 0.00 -1.73 0.00 0.00 68.15 67.06 1wap h THR 28 CO 0.00 0.26 -0.50 -1.81 -0.25 0.00 0.00 175.52 173.21 1wap s ASP 29 N -6.62 6.21 -0.26 5.36 1.01 -1.26 -5.09 116.67 116.01 1wap s ASP 29 Ca -0.09 0.18 -0.00 0.00 0.71 0.00 0.00 52.55 53.35 1wap s ASP 29 Cb 0.16 -1.86 0.08 0.00 1.01 0.00 0.00 42.92 42.31 1wap s ASP 29 CO 0.78 0.12 0.03 -0.89 0.21 0.00 0.00 175.17 175.42 1wap s THR 30 N -1.59 1.15 0.08 -1.27 2.01 -1.26 -4.58 115.64 110.17 1wap s THR 30 Ca 0.34 -1.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1wap s THR 30 Cb -0.12 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1wap s THR 30 CO 0.27 -0.37 0.16 -1.59 -0.69 0.00 0.00 174.62 172.41 1wap s LYS 31 N 1.53 0.80 0.05 4.92 -2.85 -1.26 -4.93 119.74 117.99 1wap s LYS 31 Ca 0.02 -0.96 -0.31 0.00 -1.00 0.00 0.00 55.97 53.73 1wap s LYS 31 Cb -0.18 0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.85 1wap s LYS 31 CO -0.13 -0.24 1.35 -0.06 0.10 0.00 0.00 175.35 176.37 1wap s PHE 32 N -3.74 3.11 -0.13 1.78 0.40 -1.26 -1.00 117.98 117.14 1wap s PHE 32 Ca 0.04 0.97 0.13 0.00 -0.60 0.00 0.00 56.93 57.48 1wap s PHE 32 Cb 0.05 -3.61 -0.20 0.00 0.51 0.00 0.00 43.02 39.77 1wap s PHE 32 CO -0.10 -2.15 0.34 -2.39 0.70 0.00 0.00 175.22 171.61 1wap n HIS 33 N 4.63 0.00 -3.64 0.36 1.44 -0.25 -4.93 115.22 112.83 1wap n HIS 33 Ca 0.12 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.73 1wap n HIS 33 Cb 0.44 -0.25 -0.07 0.00 0.12 0.00 0.00 29.99 30.23 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 -2.81 -0.86 -0.24 -1.40 5.65 -1.23 -5.02 115.29 109.39 1wap s HIS 34 Ca -0.03 1.87 0.01 0.00 0.25 0.00 0.00 55.06 57.16 1wap s HIS 34 Cb 0.09 0.44 0.04 0.00 -1.18 0.00 0.00 32.58 31.97 1wap s HIS 34 CO 0.55 -0.42 -0.11 0.45 -0.65 0.00 0.00 174.74 174.56 1wap s SER 35 N 0.99 4.15 -0.26 9.88 0.15 -1.26 -1.02 113.70 126.34 1wap s SER 35 Ca -0.05 -1.10 -0.17 0.00 0.70 0.00 0.00 55.95 55.34 1wap s SER 35 Cb -0.05 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 1wap s SER 35 CO -0.10 -0.14 0.47 -0.70 1.20 0.00 0.00 173.24 173.97 1wap s GLU 36 N 1.21 4.06 -0.02 5.44 2.56 0.11 -4.90 118.70 127.16 1wap s GLU 36 Ca -0.03 0.25 -0.21 0.00 0.00 0.00 0.00 54.97 54.97 1wap s GLU 36 Cb -0.18 -3.65 -0.05 0.00 2.00 0.00 0.00 34.13 32.26 1wap s GLU 36 CO -0.06 -0.31 0.61 0.21 -0.56 0.00 0.00 175.26 175.15 1wap s LYS 37 N 2.19 4.35 -0.20 4.30 2.20 -1.26 -0.66 119.74 130.65 1wap s LYS 37 Ca 0.20 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1wap s LYS 37 Cb -0.16 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1wap s LYS 37 CO 0.09 0.31 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.73 1wap s LEU 38 N 0.01 2.48 0.75 5.43 1.43 -0.09 -4.99 118.68 123.70 1wap s LEU 38 Ca 0.32 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1wap s LEU 38 Cb -0.18 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.54 1wap s LEU 38 CO 0.17 -0.03 1.10 -1.81 0.23 0.00 0.00 176.35 176.02 1wap s ASP 39 N 1.32 4.83 -0.03 2.29 1.01 -1.26 -2.31 116.67 122.52 1wap s ASP 39 Ca 0.04 0.75 -0.35 0.00 0.71 0.00 0.00 52.55 53.70 1wap s ASP 39 Cb -0.14 -1.38 -0.14 0.00 1.01 0.00 0.00 42.92 42.28 1wap s ASP 39 CO -0.10 -1.67 1.70 1.17 0.21 0.00 0.00 175.17 176.49 1wap n LYS 40 N -3.11 1.86 0.00 8.23 4.81 -1.23 -1.76 118.16 126.96 1wap n LYS 40 Ca 0.08 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1wap n LYS 40 Cb 0.60 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 3.83 1.35 3.89 3.14 0.00 0.13 -4.97 105.19 112.56 1wap n GLY 41 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.63 3.69 -0.03 1.61 2.02 -0.72 -4.84 118.70 119.79 1wap s GLU 42 Ca 0.00 0.32 0.04 0.00 0.02 0.00 0.00 54.97 55.35 1wap s GLU 42 Cb 0.00 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 1wap s GLU 42 CO 0.00 -0.04 -0.16 0.08 0.02 0.00 0.00 175.26 175.16 1wap s VAL 43 N -2.43 1.32 -0.04 2.63 1.01 -1.26 -1.41 120.40 120.22 1wap s VAL 43 Ca 0.49 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wap s VAL 43 Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1wap s VAL 43 CO 0.35 0.38 -0.24 -0.51 0.00 0.00 0.00 175.10 175.08 1wap s ILE 44 N -0.09 1.95 -0.30 2.22 2.07 0.23 -4.98 121.20 122.30 1wap s ILE 44 Ca -0.00 -1.03 -0.06 0.00 -1.41 0.00 0.00 60.65 58.15 1wap s ILE 44 Cb -0.09 -1.63 0.02 0.00 0.13 0.00 0.00 42.46 40.88 1wap s ILE 44 CO 0.01 0.55 0.06 -0.63 -1.91 0.00 0.00 174.94 173.02 1wap s ILE 45 N -0.33 3.77 -0.03 2.00 1.09 -1.26 -0.47 121.20 125.96 1wap s ILE 45 Ca 0.02 -0.82 0.05 0.00 -1.10 0.00 0.00 60.65 58.80 1wap s ILE 45 Cb -0.12 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.30 1wap s ILE 45 CO 0.01 0.05 -0.17 0.00 -0.10 0.00 0.00 174.94 174.73 1wap s ALA 46 N 1.46 1.52 0.42 9.38 0.00 0.09 -4.94 121.76 129.68 1wap s ALA 46 Ca 0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1wap s ALA 46 Cb -0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wap s ALA 46 CO 0.02 0.30 0.66 -0.65 0.00 0.00 0.00 175.76 176.09 1wap s GLN 47 N -0.09 3.34 0.28 0.00 -0.21 -1.26 -0.97 119.66 120.75 1wap s GLN 47 Ca -0.01 -0.23 -0.27 0.00 0.02 0.00 0.00 55.36 54.87 1wap s GLN 47 Cb -0.10 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 1wap s GLN 47 CO 0.01 -0.11 0.92 -0.06 -2.12 0.00 0.00 175.29 173.93 1wap s PHE 48 N -2.53 3.78 0.25 0.91 0.08 -0.86 -4.94 117.98 114.68 1wap s PHE 48 Ca 0.45 1.79 0.01 0.00 0.12 0.00 0.00 56.93 59.29 1wap s PHE 48 Cb -0.10 -2.91 -0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1wap s PHE 48 CO 0.39 0.31 0.31 0.25 -0.10 0.00 0.00 175.22 176.37 1wap n THR 49 N 0.89 0.00 -0.11 0.64 -2.24 0.02 -4.67 114.28 108.81 1wap n THR 49 Ca 0.00 -1.42 0.12 0.00 -2.27 0.00 0.00 64.05 60.48 1wap n THR 49 Cb 0.49 0.81 0.48 0.00 -2.10 0.00 0.00 70.33 70.02 1wap n THR 49 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wap h GLU 50 N 0.00 0.44 0.00 -0.78 3.07 -2.02 -3.01 114.58 112.28 1wap h GLU 50 Ca -0.19 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.60 1wap h GLU 50 Cb 0.86 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1wap h GLU 50 CO 0.26 0.29 -2.04 0.72 -1.40 0.00 0.00 179.01 176.83 1wap n HIS 51 N -4.47 0.01 -4.08 4.33 8.25 -1.26 -4.65 115.22 113.35 1wap n HIS 51 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 1wap n HIS 51 Cb 0.38 -0.57 -0.15 0.00 1.12 0.00 0.00 29.99 30.76 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 -3.38 2.17 -0.34 1.59 2.01 -1.14 -1.77 115.64 114.79 1wap s THR 52 Ca -0.08 -1.37 0.03 0.00 0.31 0.00 0.00 61.69 60.58 1wap s THR 52 Cb 0.13 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1wap s THR 52 CO 0.90 0.18 0.59 -1.54 -0.69 0.00 0.00 174.62 174.06 1wap n SER 53 N 4.51 1.24 -3.73 3.53 3.41 -1.06 -0.80 113.62 120.73 1wap n SER 53 Ca -0.17 -1.13 -0.14 0.00 -0.26 0.00 0.00 58.87 57.18 1wap n SER 53 Cb 0.45 -0.00 -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 -0.24 -1.00 -0.06 7.33 0.00 -1.25 -5.02 121.76 121.52 1wap s ALA 54 Ca 0.03 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1wap s ALA 54 Cb 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1wap s ALA 54 CO 0.03 -0.23 -0.11 0.42 0.00 0.00 0.00 175.76 175.87 1wap s ILE 55 N -0.39 1.04 -0.03 0.00 1.01 -1.26 -1.02 121.20 120.54 1wap s ILE 55 Ca -0.05 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1wap s ILE 55 Cb -0.03 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1wap s ILE 55 CO 0.02 0.33 -0.19 -0.75 0.00 0.00 0.00 174.94 174.36 1wap s LYS 56 N 0.65 2.34 -0.10 2.79 2.20 0.12 -4.97 119.74 122.78 1wap s LYS 56 Ca -0.13 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1wap s LYS 56 Cb -0.15 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1wap s LYS 56 CO 0.03 0.60 -0.23 0.08 -0.36 0.00 0.00 175.35 175.47 1wap s VAL 57 N -0.70 1.98 -0.06 4.02 1.01 -1.26 -0.57 120.40 124.82 1wap s VAL 57 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wap s VAL 57 Cb -0.10 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1wap s VAL 57 CO 0.00 0.54 -0.10 -0.60 0.00 0.00 0.00 175.10 174.94 1wap s ARG 58 N 0.41 1.47 0.00 2.72 3.52 -0.59 -4.98 118.95 121.49 1wap s ARG 58 Ca -0.18 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1wap s ARG 58 Cb -0.18 -1.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 1wap s ARG 58 CO 0.08 0.00 0.00 0.41 -0.81 0.00 0.00 175.30 174.98 1wap n GLY 59 N 3.86 1.13 3.59 8.12 0.00 -1.26 -0.90 105.19 119.72 1wap n GLY 59 Ca -0.24 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.11 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 -1.23 3.68 0.06 1.61 2.56 -1.26 -3.42 118.70 120.71 1wap s GLU 60 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 54.97 55.25 1wap s GLU 60 Cb 0.00 -3.90 0.03 0.00 2.00 0.00 0.00 34.13 32.26 1wap s GLU 60 CO 0.00 -1.26 0.36 0.00 -0.56 0.00 0.00 175.26 173.80 1wap s ALA 61 N 4.07 -0.85 -0.13 6.30 0.00 -0.64 -0.88 121.76 129.62 1wap s ALA 61 Ca 0.43 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1wap s ALA 61 Cb -0.09 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1wap s ALA 61 CO 0.28 -0.48 0.02 -1.17 0.00 0.00 0.00 175.76 174.41 1wap s LEU 62 N -2.23 3.63 -0.05 0.00 2.96 -0.15 -1.49 118.68 121.35 1wap s LEU 62 Ca -0.03 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1wap s LEU 62 Cb 0.00 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1wap s LEU 62 CO -0.05 0.27 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.42 1wap s ILE 63 N -0.20 1.63 -0.07 6.68 1.01 -0.22 -0.50 121.20 129.52 1wap s ILE 63 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1wap s ILE 63 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1wap s ILE 63 CO 0.02 0.46 -0.24 -1.10 0.00 0.00 0.00 174.94 174.08 1wap s GLN 64 N -0.02 2.73 0.33 2.79 -0.21 -0.44 -1.66 119.66 123.19 1wap s GLN 64 Ca -0.04 -0.89 0.04 0.00 0.02 0.00 0.00 55.36 54.50 1wap s GLN 64 Cb -0.12 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 1wap s GLN 64 CO 0.03 0.30 0.19 0.95 -2.12 0.00 0.00 175.29 174.64 1wap s THR 65 N 0.04 0.27 0.57 -0.19 -4.23 -0.68 -1.35 115.64 110.08 1wap s THR 65 Ca -0.10 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.69 1wap s THR 65 Cb -0.15 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.59 1wap s THR 65 CO 0.06 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.16 1wap h ALA 66 N 2.10 2.09 -0.44 3.99 0.00 -2.01 -2.46 119.26 122.53 1wap h ALA 66 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wap h ALA 66 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wap h ALA 66 CO 0.48 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1wap n TYR 67 N -3.96 0.57 0.00 0.00 4.01 -1.26 -5.06 117.16 111.47 1wap n TYR 67 Ca 0.05 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1wap n TYR 67 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 1.40 0.55 3.68 2.72 0.00 -0.93 -5.07 105.19 107.55 1wap n GLY 68 Ca 0.19 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.20 2.49 -0.03 1.61 2.02 -1.26 -1.68 118.70 121.65 1wap s GLU 69 Ca 0.00 -0.98 -0.06 0.00 0.02 0.00 0.00 54.97 53.95 1wap s GLU 69 Cb 0.00 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1wap s GLU 69 CO 0.00 0.49 0.14 1.41 0.02 0.00 0.00 175.26 177.32 1wap s MET 70 N -2.69 0.30 -0.15 1.61 1.75 -0.66 -5.00 119.30 114.46 1wap s MET 70 Ca 0.27 -0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.63 1wap s MET 70 Cb -0.10 0.13 -0.02 0.00 2.84 0.00 0.00 34.83 37.68 1wap s MET 70 CO 0.19 -0.06 -0.10 0.21 -0.65 0.00 0.00 175.02 174.61 1wap s LYS 71 N -0.56 3.46 0.17 4.11 2.20 -1.26 -1.06 119.74 126.81 1wap s LYS 71 Ca -0.06 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 1wap s LYS 71 Cb -0.04 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.47 1wap s LYS 71 CO 0.01 0.18 0.51 -1.54 -0.36 0.00 0.00 175.35 174.15 1wap s SER 72 N 0.46 6.67 0.02 1.43 1.04 -0.56 -4.96 113.70 117.81 1wap s SER 72 Ca -0.08 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.33 1wap s SER 72 Cb -0.15 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1wap s SER 72 CO 0.04 0.03 -0.15 -1.61 0.98 0.00 0.00 173.24 172.53 1wap s GLU 73 N -2.41 2.23 0.00 4.02 2.02 -1.22 -1.63 118.70 121.71 1wap s GLU 73 Ca 0.42 -0.89 0.25 0.00 0.02 0.00 0.00 54.97 54.77 1wap s GLU 73 Cb -0.13 -2.28 1.48 0.00 0.10 0.00 0.00 34.13 33.30 1wap s GLU 73 CO 0.20 0.56 1.84 1.17 0.02 0.00 0.00 175.26 179.06