#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 0.05 -0.67 -0.12 -1.26 -1.35 117.98 115.25 1wap s PHE 9 Ca 0.00 -1.06 0.08 0.00 -0.05 0.00 0.00 56.93 55.90 1wap s PHE 9 Cb 0.00 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1wap s PHE 9 CO 0.00 -0.49 -0.22 0.14 -0.05 0.00 0.00 175.22 174.60 1wap s VAL 10 N -3.97 1.76 -0.20 -2.49 -7.23 -0.24 -4.63 120.40 103.39 1wap s VAL 10 Ca 0.15 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 1wap s VAL 10 Cb 0.07 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1wap s VAL 10 CO -0.04 0.19 0.00 -0.69 -0.31 0.00 0.00 175.10 174.25 1wap s VAL 11 N -0.85 3.93 -0.13 1.32 1.01 -0.35 -0.93 120.40 124.41 1wap s VAL 11 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1wap s VAL 11 Cb -0.09 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1wap s VAL 11 CO 0.02 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1wap s ILE 12 N 1.07 1.56 -0.20 2.22 1.01 0.68 -0.58 121.20 126.96 1wap s ILE 12 Ca 0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1wap s ILE 12 Cb -0.14 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1wap s ILE 12 CO 0.01 0.45 -0.07 -0.75 0.00 0.00 0.00 174.94 174.59 1wap s LYS 13 N 1.19 3.39 0.11 2.79 2.20 0.70 -0.71 119.74 129.40 1wap s LYS 13 Ca -0.02 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 1wap s LYS 13 Cb -0.14 -2.91 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 1wap s LYS 13 CO -0.05 -0.08 1.22 0.00 -0.36 0.00 0.00 175.35 176.08 1wap s ALA 14 N 1.15 3.43 -0.60 3.13 0.00 -0.20 -0.89 121.76 127.78 1wap s ALA 14 Ca 0.02 0.91 0.13 0.00 0.00 0.00 0.00 51.96 53.02 1wap s ALA 14 Cb -0.14 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 1wap s ALA 14 CO -0.01 -0.43 0.56 0.28 0.00 0.00 0.00 175.76 176.15 1wap n VAL 15 N 3.50 0.00 -4.17 0.00 0.31 -0.00 -0.48 118.33 117.48 1wap n VAL 15 Ca 0.08 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1wap n VAL 15 Cb 0.45 0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 34.23 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 -2.32 0.98 0.63 5.55 -1.05 -1.18 -4.80 118.70 116.50 1wap s GLU 16 Ca 0.04 -1.47 -0.16 0.00 -0.15 0.00 0.00 54.97 53.24 1wap s GLU 16 Cb 0.10 0.11 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 1wap s GLU 16 CO 0.56 -0.23 1.10 -0.51 0.95 0.00 0.00 175.26 177.14 1wap s ASP 17 N -3.08 5.32 -0.87 0.83 1.01 -1.26 -3.45 116.67 115.17 1wap s ASP 17 Ca 0.24 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.50 1wap s ASP 17 Cb 0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1wap s ASP 17 CO 0.02 -1.49 0.00 0.61 0.21 0.00 0.00 175.17 174.53 1wap n GLY 18 N -0.49 0.05 3.77 0.21 0.00 -0.93 -4.90 105.19 102.91 1wap n GLY 18 Ca 0.10 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.49 2.62 -0.13 1.61 1.01 -0.69 -4.79 120.40 117.54 1wap s VAL 19 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1wap s VAL 19 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1wap s VAL 19 CO 0.00 0.15 -0.08 0.20 0.00 0.00 0.00 175.10 175.36 1wap s ASN 20 N -0.41 4.44 -0.34 3.32 -0.87 -0.43 -0.58 114.94 120.06 1wap s ASN 20 Ca 0.50 -0.19 -0.04 0.00 -1.57 0.00 0.00 52.86 51.56 1wap s ASN 20 Cb -0.41 -1.59 0.06 0.00 -0.02 0.00 0.00 41.25 39.30 1wap s ASN 20 CO 0.54 0.20 0.09 -0.69 -2.57 0.00 0.00 177.10 174.67 1wap s VAL 21 N 0.14 3.32 -0.17 1.60 1.01 0.24 -1.44 120.40 125.10 1wap s VAL 21 Ca -0.04 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1wap s VAL 21 Cb -0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1wap s VAL 21 CO 0.04 -0.29 0.01 -0.63 0.00 0.00 0.00 175.10 174.23 1wap s ILE 22 N 1.27 4.33 -0.19 2.22 1.01 0.05 0.01 121.20 129.89 1wap s ILE 22 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 1wap s ILE 22 Cb -0.21 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1wap s ILE 22 CO -0.01 0.48 0.11 -0.83 0.00 0.00 0.00 174.94 174.69 1wap s GLY 23 N 0.38 2.00 -0.13 6.18 0.00 0.67 -0.74 107.32 115.66 1wap s GLY 23 Ca -0.01 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1wap s GLY 23 CO 0.02 0.11 0.14 1.08 0.00 0.00 0.00 173.10 174.44 1wap s LEU 24 N 0.36 4.34 0.21 0.66 1.02 -0.61 -0.70 118.68 123.97 1wap s LEU 24 Ca 0.06 0.42 -0.30 0.00 0.02 0.00 0.00 54.13 54.33 1wap s LEU 24 Cb -0.11 -2.07 -0.10 0.00 0.02 0.00 0.00 46.19 43.93 1wap s LEU 24 CO -0.01 0.37 1.44 0.42 0.02 0.00 0.00 176.35 178.59 1wap s THR 25 N -0.77 2.79 0.21 5.49 -4.23 -0.06 -2.30 115.64 116.77 1wap s THR 25 Ca 0.14 0.63 -0.30 0.00 -1.18 0.00 0.00 61.69 60.98 1wap s THR 25 Cb -0.12 -3.40 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 1wap s THR 25 CO 0.03 0.08 1.23 -0.60 -0.54 0.00 0.00 174.62 174.82 1wap s ARG 26 N 0.10 4.46 0.00 3.99 3.52 -0.10 -4.53 118.95 126.40 1wap s ARG 26 Ca 0.62 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1wap s ARG 26 Cb -0.41 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1wap s ARG 26 CO 0.39 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.18 1wap n GLY 27 N 2.00 0.79 0.30 8.12 0.00 -1.26 -4.83 105.19 110.31 1wap n GLY 27 Ca 0.04 -2.03 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 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 1.25 -3.33 2.61 1.35 -2.05 -3.42 112.91 109.32 1wap h THR 28 Ca 0.00 -1.01 -0.55 0.00 -0.55 0.00 0.00 66.41 64.30 1wap h THR 28 Cb 0.00 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 1wap h THR 28 CO 0.00 0.37 -0.18 -1.81 -0.25 0.00 0.00 175.52 173.65 1wap s ASP 29 N -6.58 6.56 -0.31 5.36 1.01 -1.26 -5.08 116.67 116.38 1wap s ASP 29 Ca -0.11 0.79 0.02 0.00 0.71 0.00 0.00 52.55 53.96 1wap s ASP 29 Cb 0.15 -2.17 0.09 0.00 1.01 0.00 0.00 42.92 41.99 1wap s ASP 29 CO 0.83 -0.04 0.04 -0.89 0.21 0.00 0.00 175.17 175.32 1wap s THR 30 N -1.79 1.69 0.13 -1.27 2.01 -1.26 -4.60 115.64 110.54 1wap s THR 30 Ca 0.45 -1.83 0.01 0.00 0.31 0.00 0.00 61.69 60.63 1wap s THR 30 Cb -0.11 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1wap s THR 30 CO 0.23 -0.53 -0.02 -1.59 -0.69 0.00 0.00 174.62 172.02 1wap s LYS 31 N 1.22 0.94 0.13 4.92 -2.85 -1.26 -4.91 119.74 117.93 1wap s LYS 31 Ca 0.07 -1.42 -0.30 0.00 -1.00 0.00 0.00 55.97 53.32 1wap s LYS 31 Cb -0.18 -0.12 -0.07 0.00 -2.06 0.00 0.00 37.83 35.39 1wap s LYS 31 CO -0.13 -0.11 1.21 -0.06 0.10 0.00 0.00 175.35 176.36 1wap s PHE 32 N -3.73 3.42 -0.13 1.78 0.40 -1.26 -0.88 117.98 117.58 1wap s PHE 32 Ca 0.18 1.35 0.09 0.00 -0.60 0.00 0.00 56.93 57.95 1wap s PHE 32 Cb 0.06 -3.44 -0.13 0.00 0.51 0.00 0.00 43.02 40.02 1wap s PHE 32 CO -0.01 -1.30 0.26 -2.39 0.70 0.00 0.00 175.22 172.48 1wap n HIS 33 N 3.14 0.00 -3.64 0.36 1.44 0.12 -4.90 115.22 111.74 1wap n HIS 33 Ca 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.68 1wap n HIS 33 Cb 0.45 -0.16 -0.07 0.00 0.12 0.00 0.00 29.99 30.33 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 -2.45 -0.55 -0.16 -1.40 5.65 -1.24 -5.01 115.29 110.14 1wap s HIS 34 Ca -0.02 1.31 0.00 0.00 0.25 0.00 0.00 55.06 56.61 1wap s HIS 34 Cb 0.06 0.36 0.02 0.00 -1.18 0.00 0.00 32.58 31.85 1wap s HIS 34 CO 0.39 -0.27 -0.14 0.45 -0.65 0.00 0.00 174.74 174.52 1wap s SER 35 N 0.42 2.84 -0.25 9.88 0.15 -1.26 -0.24 113.70 125.23 1wap s SER 35 Ca 0.01 -0.56 -0.12 0.00 0.70 0.00 0.00 55.95 55.98 1wap s SER 35 Cb -0.05 -1.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 1wap s SER 35 CO -0.07 -0.06 0.21 -0.70 1.20 0.00 0.00 173.24 173.82 1wap s GLU 36 N 1.45 4.03 -0.01 5.44 2.56 0.10 -4.90 118.70 127.38 1wap s GLU 36 Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 54.97 54.59 1wap s GLU 36 Cb -0.13 -3.59 -0.05 0.00 2.00 0.00 0.00 34.13 32.36 1wap s GLU 36 CO -0.11 -0.06 0.60 0.21 -0.56 0.00 0.00 175.26 175.35 1wap s LYS 37 N 1.41 4.33 -0.09 4.30 2.20 -1.26 -0.59 119.74 130.03 1wap s LYS 37 Ca 0.09 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.48 1wap s LYS 37 Cb -0.15 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1wap s LYS 37 CO 0.07 0.33 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.67 1wap s LEU 38 N -0.06 2.00 0.51 5.43 1.43 0.25 -4.97 118.68 123.26 1wap s LEU 38 Ca 0.32 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1wap s LEU 38 Cb -0.18 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1wap s LEU 38 CO 0.17 0.14 0.77 -1.81 0.23 0.00 0.00 176.35 175.84 1wap s ASP 39 N 0.39 5.65 0.11 2.29 1.01 -1.26 -1.70 116.67 123.16 1wap s ASP 39 Ca -0.18 0.38 -0.36 0.00 0.71 0.00 0.00 52.55 53.10 1wap s ASP 39 Cb -0.17 -1.48 -0.16 0.00 1.01 0.00 0.00 42.92 42.12 1wap s ASP 39 CO 0.08 -0.90 1.41 1.17 0.21 0.00 0.00 175.17 177.14 1wap n LYS 40 N -2.29 1.45 0.00 8.23 4.81 -1.22 -1.80 118.16 127.34 1wap n LYS 40 Ca 0.03 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1wap n LYS 40 Cb 0.58 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.42 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 2.79 2.82 3.82 3.14 0.00 0.37 -5.00 105.19 113.13 1wap n GLY 41 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 3.81 -0.03 1.61 2.02 -0.74 -4.78 118.70 120.05 1wap s GLU 42 Ca 0.00 1.16 0.04 0.00 0.02 0.00 0.00 54.97 56.20 1wap s GLU 42 Cb 0.00 -2.11 -0.00 0.00 0.10 0.00 0.00 34.13 32.12 1wap s GLU 42 CO 0.00 -0.40 -0.16 0.08 0.02 0.00 0.00 175.26 174.80 1wap s VAL 43 N -2.31 1.30 -0.01 2.63 1.01 -1.26 -1.03 120.40 120.73 1wap s VAL 43 Ca 0.63 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1wap s VAL 43 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1wap s VAL 43 CO 0.26 0.38 -0.19 -0.51 0.00 0.00 0.00 175.10 175.04 1wap s ILE 44 N -0.05 1.47 -0.24 2.22 2.07 0.11 -4.99 121.20 121.79 1wap s ILE 44 Ca -0.01 -0.83 -0.00 0.00 -1.41 0.00 0.00 60.65 58.40 1wap s ILE 44 Cb -0.10 -1.23 0.04 0.00 0.13 0.00 0.00 42.46 41.30 1wap s ILE 44 CO 0.01 0.38 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.70 1wap s ILE 45 N -0.48 2.58 -0.03 2.00 1.09 -1.26 -0.23 121.20 124.87 1wap s ILE 45 Ca 0.07 -1.19 0.04 0.00 -1.10 0.00 0.00 60.65 58.47 1wap s ILE 45 Cb -0.07 -2.34 -0.00 0.00 -1.06 0.00 0.00 42.46 38.98 1wap s ILE 45 CO -0.00 0.17 -0.15 0.00 -0.10 0.00 0.00 174.94 174.85 1wap s ALA 46 N 1.26 1.36 0.39 9.38 0.00 -0.10 -4.95 121.76 129.10 1wap s ALA 46 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1wap s ALA 46 Cb -0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1wap s ALA 46 CO -0.06 0.27 0.63 -0.65 0.00 0.00 0.00 175.76 175.95 1wap s GLN 47 N -0.04 3.49 0.24 0.00 -0.21 -1.26 -1.08 119.66 120.80 1wap s GLN 47 Ca -0.01 -0.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.92 1wap s GLN 47 Cb -0.10 -2.56 -0.09 0.00 1.00 0.00 0.00 33.01 31.26 1wap s GLN 47 CO 0.01 0.02 0.91 -0.06 -2.12 0.00 0.00 175.29 174.05 1wap s PHE 48 N -2.46 3.94 0.20 0.91 0.08 -0.45 -4.94 117.98 115.25 1wap s PHE 48 Ca 0.43 1.85 0.04 0.00 0.12 0.00 0.00 56.93 59.36 1wap s PHE 48 Cb -0.10 -2.93 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1wap s PHE 48 CO 0.39 0.44 0.18 0.25 -0.10 0.00 0.00 175.22 176.38 1wap n THR 49 N 1.39 0.00 0.02 0.64 -2.24 -0.51 -4.65 114.28 108.93 1wap n THR 49 Ca -0.02 -1.42 0.06 0.00 -2.27 0.00 0.00 64.05 60.40 1wap n THR 49 Cb 0.48 0.72 0.47 0.00 -2.10 0.00 0.00 70.33 69.90 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 -3.11 114.58 112.18 1wap h GLU 50 Ca -0.14 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.56 1wap h GLU 50 Cb 0.72 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1wap h GLU 50 CO 0.21 0.29 -1.98 0.72 -1.40 0.00 0.00 179.01 176.84 1wap n HIS 51 N -4.48 0.18 -4.03 4.33 8.25 -1.26 -4.65 115.22 113.57 1wap n HIS 51 Ca 0.04 0.06 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 1wap n HIS 51 Cb 0.12 -0.75 -0.15 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.12 2.45 -0.75 1.59 2.01 -1.18 -0.92 115.64 115.73 1wap s THR 52 Ca -0.07 -1.30 0.07 0.00 0.31 0.00 0.00 61.69 60.69 1wap s THR 52 Cb 0.11 -2.30 0.09 0.00 0.01 0.00 0.00 72.50 70.40 1wap s THR 52 CO 0.87 0.14 0.83 -1.54 -0.69 0.00 0.00 174.62 174.23 1wap n SER 53 N 4.56 1.83 -3.72 3.53 3.41 -0.97 -1.42 113.62 120.83 1wap n SER 53 Ca -0.16 -1.48 -0.14 0.00 -0.26 0.00 0.00 58.87 56.84 1wap n SER 53 Cb 0.45 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.68 -1.03 -0.07 7.33 0.00 -1.24 -5.01 121.76 121.07 1wap s ALA 54 Ca 0.09 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.06 1wap s ALA 54 Cb 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1wap s ALA 54 CO 0.09 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 175.90 1wap s ILE 55 N -0.26 1.26 -0.07 0.00 1.01 -1.26 -1.57 121.20 120.31 1wap s ILE 55 Ca -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1wap s ILE 55 Cb -0.03 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1wap s ILE 55 CO 0.02 0.38 -0.10 -0.54 0.00 0.00 0.00 174.94 174.70 1wap s LYS 56 N 0.54 2.73 -0.18 2.79 1.02 0.08 -4.96 119.74 121.77 1wap s LYS 56 Ca -0.14 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 1wap s LYS 56 Cb -0.15 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1wap s LYS 56 CO 0.04 0.60 -0.12 0.08 -0.92 0.00 0.00 175.35 175.02 1wap s VAL 57 N -0.64 2.81 -0.13 3.17 1.01 -1.26 -0.77 120.40 124.59 1wap s VAL 57 Ca 0.09 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1wap s VAL 57 Cb -0.11 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1wap s VAL 57 CO 0.01 0.49 -0.20 -0.60 0.00 0.00 0.00 175.10 174.81 1wap s ARG 58 N 1.14 2.73 0.00 2.72 3.52 -0.52 -4.98 118.95 123.56 1wap s ARG 58 Ca 0.01 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1wap s ARG 58 Cb -0.14 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 1wap s ARG 58 CO -0.04 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1wap n GLY 59 N 4.13 2.84 3.68 8.12 0.00 -1.24 -1.32 105.19 121.40 1wap n GLY 59 Ca -0.20 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.82 4.26 -0.01 1.61 2.12 -1.04 -4.24 118.70 118.59 1wap s GLU 60 Ca 0.00 1.95 -0.29 0.00 0.36 0.00 0.00 54.97 56.99 1wap s GLU 60 Cb 0.00 -3.67 0.07 0.00 0.26 0.00 0.00 34.13 30.79 1wap s GLU 60 CO 0.00 -0.64 0.69 0.00 -0.54 0.00 0.00 175.26 174.77 1wap s ALA 61 N 2.85 -1.74 -0.21 6.30 0.00 -0.88 -0.82 121.76 127.26 1wap s ALA 61 Ca 0.64 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1wap s ALA 61 Cb -0.30 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1wap s ALA 61 CO 0.25 -0.47 0.16 -1.17 0.00 0.00 0.00 175.76 174.53 1wap s LEU 62 N -1.59 4.19 -0.09 0.00 2.96 -0.07 -1.63 118.68 122.44 1wap s LEU 62 Ca -0.07 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1wap s LEU 62 Cb -0.00 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1wap s LEU 62 CO 0.03 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.41 1wap s ILE 63 N 0.59 2.83 -0.07 6.68 1.01 0.01 -0.22 121.20 132.04 1wap s ILE 63 Ca 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1wap s ILE 63 Cb -0.12 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1wap s ILE 63 CO 0.01 0.56 -0.24 -1.10 0.00 0.00 0.00 174.94 174.16 1wap s GLN 64 N -0.09 2.63 0.33 2.79 -0.21 0.25 -1.27 119.66 124.09 1wap s GLN 64 Ca -0.03 -0.86 0.05 0.00 0.02 0.00 0.00 55.36 54.54 1wap s GLN 64 Cb -0.14 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 1wap s GLN 64 CO 0.04 0.30 0.19 0.25 -2.12 0.00 0.00 175.29 173.94 1wap n THR 65 N 3.17 0.00 0.34 -0.19 -2.24 -0.25 -1.21 114.28 113.90 1wap n THR 65 Ca -0.18 -2.12 0.21 0.00 -2.27 0.00 0.00 64.05 59.69 1wap n THR 65 Cb 0.52 0.91 1.13 0.00 -2.10 0.00 0.00 70.33 70.79 1wap n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wap h ALA 66 N 1.76 1.09 -0.02 6.98 0.00 -2.01 -1.89 119.26 125.18 1wap h ALA 66 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wap h ALA 66 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wap h ALA 66 CO 0.37 -0.08 -0.12 0.66 0.00 0.00 0.00 179.25 180.09 1wap n TYR 67 N -3.07 0.00 0.00 0.00 4.01 -1.26 -5.08 117.16 111.77 1wap n TYR 67 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1wap n TYR 67 Cb 0.14 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 1.28 0.21 3.91 2.72 0.00 -0.71 -5.07 105.19 107.53 1wap n GLY 68 Ca 0.15 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 0.00 3.40 -0.03 1.61 2.02 -1.26 -1.09 118.70 123.35 1wap s GLU 69 Ca 0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 1wap s GLU 69 Cb 0.00 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.21 1wap s GLU 69 CO 0.00 0.61 0.10 1.41 0.02 0.00 0.00 175.26 177.40 1wap s MET 70 N -2.45 0.16 -0.16 1.61 1.75 -0.40 -5.01 119.30 114.80 1wap s MET 70 Ca 0.34 0.06 -0.04 0.00 -1.25 0.00 0.00 55.69 54.80 1wap s MET 70 Cb -0.13 0.07 -0.03 0.00 2.84 0.00 0.00 34.83 37.58 1wap s MET 70 CO 0.27 -0.02 -0.02 0.21 -0.65 0.00 0.00 175.02 174.80 1wap s LYS 71 N -0.13 3.71 0.23 4.11 2.47 -1.26 -0.81 119.74 128.05 1wap s LYS 71 Ca -0.02 -0.49 -0.15 0.00 -1.56 0.00 0.00 55.97 53.75 1wap s LYS 71 Cb -0.02 -2.96 -0.08 0.00 -1.46 0.00 0.00 37.83 33.31 1wap s LYS 71 CO 0.00 0.26 0.65 -1.54 0.16 0.00 0.00 175.35 174.89 1wap s SER 72 N 0.32 6.85 0.52 1.43 1.04 -0.65 -4.97 113.70 118.25 1wap s SER 72 Ca -0.02 1.21 -0.02 0.00 0.48 0.00 0.00 55.95 57.60 1wap s SER 72 Cb -0.14 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1wap s SER 72 CO 0.02 -0.03 0.77 -1.61 0.98 0.00 0.00 173.24 173.38 1wap s GLU 73 N -2.36 2.88 0.37 4.02 0.41 -1.26 -2.07 118.70 120.69 1wap s GLU 73 Ca 0.45 -0.40 -0.26 0.00 -0.41 0.00 0.00 54.97 54.35 1wap s GLU 73 Cb -0.14 -2.45 -0.12 0.00 -1.78 0.00 0.00 34.13 29.65 1wap s GLU 73 CO 0.20 -0.52 1.10 1.63 -0.49 0.00 0.00 175.26 177.17 1wap n LYS 74 N -2.31 1.58 0.00 1.61 5.02 -1.26 -2.49 118.16 120.31 1wap n LYS 74 Ca 0.04 0.56 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1wap n LYS 74 Cb 0.58 -2.09 0.39 0.00 -0.02 0.00 0.00 35.03 33.89 1wap n LYS 74 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24