#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfp s SER 2 N 0.00 -0.63 0.33 1.61 0.15 -1.26 -5.18 113.70 108.72 1wfp s SER 2 Ca 0.00 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.30 1wfp s SER 2 Cb 0.00 0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 64.78 1wfp s SER 2 CO 0.00 -0.65 0.03 -0.44 1.20 0.00 0.00 173.24 173.38 1wfp s SER 3 N -1.43 2.74 0.00 5.45 0.01 -1.26 -5.13 113.70 114.09 1wfp s SER 3 Ca -0.09 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1wfp s SER 3 Cb -0.00 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1wfp s SER 3 CO 0.06 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1wfp n GLY 4 N -0.72 2.44 3.04 3.44 0.00 -1.26 -5.16 105.19 106.97 1wfp n GLY 4 Ca -0.03 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1wfp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfp s SER 5 N 2.00 1.75 0.06 1.61 0.15 -1.26 -5.13 113.70 112.88 1wfp s SER 5 Ca 0.00 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.10 1wfp s SER 5 Cb 0.00 -0.71 0.08 0.00 -1.71 0.00 0.00 66.02 63.69 1wfp s SER 5 CO 0.00 0.06 0.73 -0.94 1.20 0.00 0.00 173.24 174.29 1wfp s SER 6 N 0.48 -0.50 0.00 5.45 1.04 -1.26 -5.17 113.70 113.74 1wfp s SER 6 Ca -0.11 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wfp s SER 6 Cb -0.14 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1wfp s SER 6 CO 0.03 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1wfp n GLY 7 N -0.12 2.35 3.53 7.32 0.00 -1.26 -5.18 105.19 111.83 1wfp n GLY 7 Ca -0.14 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1wfp n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfp s THR 8 N -0.15 -0.00 0.39 2.61 2.01 -1.26 -5.16 115.64 114.08 1wfp s THR 8 Ca 0.00 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1wfp s THR 8 Cb 0.00 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.54 1wfp s THR 8 CO 0.00 0.00 0.90 0.00 -0.69 0.00 0.00 174.62 174.83 1wfp s ARG 9 N 0.61 4.22 0.04 4.92 1.70 -1.26 -4.98 118.95 124.21 1wfp s ARG 9 Ca -0.02 1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 55.97 1wfp s ARG 9 Cb -0.05 -2.33 -0.09 0.00 -0.57 0.00 0.00 34.95 31.92 1wfp s ARG 9 CO -0.03 0.06 1.88 0.20 -1.08 0.00 0.00 175.30 176.33 1wfp s GLY 10 N -2.12 1.45 -0.06 3.88 0.00 -1.26 -4.93 107.32 104.29 1wfp s GLY 10 Ca 0.58 1.29 -0.30 0.00 0.00 0.00 0.00 44.72 46.30 1wfp s GLY 10 CO 0.15 3.32 1.32 -0.32 0.00 0.00 0.00 173.10 177.57 1wfp s GLY 11 N 3.83 1.88 0.16 0.20 0.00 -1.26 -4.93 107.32 107.21 1wfp s GLY 11 Ca 0.84 0.71 -0.21 0.00 0.00 0.00 0.00 44.72 46.06 1wfp s GLY 11 CO 0.38 2.43 1.63 -0.55 0.00 0.00 0.00 173.10 177.00 1wfp h ASP 12 N 7.88 -0.77 -3.72 1.64 5.19 -2.06 -3.31 116.42 121.26 1wfp h ASP 12 Ca -0.34 0.15 -0.62 0.00 -0.62 0.00 0.00 57.03 55.59 1wfp h ASP 12 Cb 1.16 0.38 -0.41 0.00 0.18 0.00 0.00 39.33 40.64 1wfp h ASP 12 CO 0.91 -0.27 -0.66 -0.44 -3.12 0.00 0.00 179.24 175.66 1wfp s SER 13 N -5.07 4.10 -0.12 6.45 0.01 -1.26 -5.07 113.70 112.74 1wfp s SER 13 Ca -0.15 -3.12 0.02 0.00 1.31 0.00 0.00 55.95 54.01 1wfp s SER 13 Cb 0.13 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.96 1wfp s SER 13 CO 0.68 -0.20 -0.18 0.00 0.41 0.00 0.00 173.24 173.95 1wfp s ALA 14 N -0.39 1.96 -0.69 1.44 0.00 -1.25 -5.09 121.76 117.75 1wfp s ALA 14 Ca 0.20 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1wfp s ALA 14 Cb -0.19 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.17 1wfp s ALA 14 CO -0.05 -0.05 0.73 0.00 0.00 0.00 0.00 175.76 176.39 1wfp s ALA 15 N 0.90 3.63 -0.19 0.00 0.00 -1.26 -4.98 121.76 119.86 1wfp s ALA 15 Ca -0.07 -2.65 -0.31 0.00 0.00 0.00 0.00 51.96 48.93 1wfp s ALA 15 Cb -0.15 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.57 1wfp s ALA 15 CO -0.02 -2.35 1.16 0.00 0.00 0.00 0.00 175.76 174.56 1wfp s ALA 16 N 1.81 -2.02 1.23 0.00 0.00 -1.26 -4.55 121.76 116.96 1wfp s ALA 16 Ca 0.14 1.63 -0.20 0.00 0.00 0.00 0.00 51.96 53.53 1wfp s ALA 16 Cb -0.19 -0.64 0.30 0.00 0.00 0.00 0.00 23.12 22.58 1wfp s ALA 16 CO -0.00 -0.42 1.11 -1.25 0.00 0.00 0.00 175.76 175.20 1wfp s PRO 17 N -1.69 -1.48 0.18 0.00 0.04 -1.26 -4.87 135.00 125.92 1wfp s PRO 17 Ca 0.06 -0.15 -0.09 0.00 0.04 0.00 0.00 61.00 60.85 1wfp s PRO 17 Cb -0.01 -1.57 0.25 0.00 0.04 0.00 0.00 34.50 33.21 1wfp s PRO 17 CO -0.04 -3.86 1.11 -0.11 0.04 0.00 0.00 177.00 174.14 1wfp n LEU 18 N -4.85 -0.36 -3.66 -3.56 0.00 -1.26 -4.05 117.00 99.26 1wfp n LEU 18 Ca 0.14 1.24 -0.20 0.00 0.00 0.00 0.00 56.01 57.20 1wfp n LEU 18 Cb 0.60 -0.33 -0.17 0.00 0.00 0.00 0.00 43.42 43.52 1wfp n LEU 18 CO 0.43 -1.15 -0.30 -0.62 0.00 0.00 0.00 177.39 175.75 1wfp s ASP 19 N -5.22 1.15 0.26 1.96 2.15 -1.26 -5.14 116.67 110.58 1wfp s ASP 19 Ca -0.10 0.08 -0.29 0.00 0.43 0.00 0.00 52.55 52.66 1wfp s ASP 19 Cb 0.17 -0.00 -0.09 0.00 -0.30 0.00 0.00 42.92 42.69 1wfp s ASP 19 CO 0.53 -0.26 1.26 -2.16 -0.17 0.00 0.00 175.17 174.37 1wfp s PRO 20 N 2.21 4.44 0.46 4.34 0.04 -1.26 -4.94 135.00 140.30 1wfp s PRO 20 Ca 0.04 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.38 1wfp s PRO 20 Cb -0.13 -3.15 1.05 0.00 0.04 0.00 0.00 34.50 32.32 1wfp s PRO 20 CO -0.05 -0.12 1.89 -1.00 0.04 0.00 0.00 177.00 177.76 1wfp h PRO 21 N 4.32 0.00 -5.47 0.56 0.13 -2.01 -3.45 132.00 126.08 1wfp h PRO 21 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1wfp h PRO 21 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1wfp h PRO 21 CO 0.71 0.21 -0.68 0.15 -0.23 0.00 0.00 178.00 178.16 1wfp s LYS 22 N -3.79 1.52 0.13 0.86 3.01 -1.26 -5.09 119.74 115.12 1wfp s LYS 22 Ca -0.00 -1.76 -0.24 0.00 -1.01 0.00 0.00 55.97 52.95 1wfp s LYS 22 Cb 0.11 -1.11 -0.14 0.00 -1.01 0.00 0.00 37.83 35.69 1wfp s LYS 22 CO 0.62 0.03 0.49 0.43 0.51 0.00 0.00 175.35 177.44 1wfp n SER 23 N -0.56 -0.79 -4.68 2.83 7.64 -1.26 -4.66 113.62 112.13 1wfp n SER 23 Ca -0.06 0.89 -0.50 0.00 1.01 0.00 0.00 58.87 60.22 1wfp n SER 23 Cb 0.63 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 1wfp n SER 23 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wfp n THR 24 N 0.23 0.52 -3.91 0.44 5.66 -1.26 -4.92 114.28 111.04 1wfp n THR 24 Ca 0.14 -0.10 -0.10 0.00 -3.05 0.00 0.00 64.05 60.95 1wfp n THR 24 Cb 0.17 -1.75 -0.01 0.00 -1.55 0.00 0.00 70.33 67.19 1wfp n THR 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wfp s ALA 25 N 4.09 -0.48 -0.22 1.79 0.00 -1.26 -5.15 121.76 120.53 1wfp s ALA 25 Ca 0.94 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 1wfp s ALA 25 Cb -0.77 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1wfp s ALA 25 CO 0.54 -0.94 0.09 0.99 0.00 0.00 0.00 175.76 176.45 1wfp s THR 26 N -3.14 4.79 0.15 0.00 2.01 -1.26 -4.72 115.64 113.46 1wfp s THR 26 Ca 0.18 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1wfp s THR 26 Cb -0.04 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1wfp s THR 26 CO 0.12 0.39 0.33 -0.13 -0.69 0.00 0.00 174.62 174.64 1wfp s ARG 27 N 0.95 1.13 1.09 4.92 0.52 -1.26 -2.52 118.95 123.79 1wfp s ARG 27 Ca 0.05 -0.99 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 1wfp s ARG 27 Cb -0.14 0.41 0.07 0.00 0.52 0.00 0.00 34.95 35.82 1wfp s ARG 27 CO 0.03 -0.43 -0.09 0.00 0.02 0.00 0.00 175.30 174.83 1wfp n LEU 29 N -1.18 0.54 -0.09 0.00 7.94 -0.71 -3.20 117.00 120.30 1wfp n LEU 29 Ca 0.01 -0.36 -0.17 0.00 -1.11 0.00 0.00 56.01 54.38 1wfp n LEU 29 Cb 0.63 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.51 1wfp n LEU 29 CO 0.51 0.13 -1.10 -1.20 -1.11 0.00 0.00 177.39 174.63 1wfp n SER 30 N -1.56 1.68 -0.00 1.96 7.64 -1.26 -4.69 113.62 117.38 1wfp n SER 30 Ca 0.01 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1wfp n SER 30 Cb 0.29 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.93 1wfp n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfp n ASN 32 N -1.59 -2.95 -4.87 0.00 4.05 -1.19 -4.90 115.26 103.81 1wfp n ASN 32 Ca 0.02 -0.65 -0.36 0.00 0.45 0.00 0.00 54.58 54.04 1wfp n ASN 32 Cb 0.32 -4.84 -0.06 0.00 1.23 0.00 0.00 39.78 36.44 1wfp n ASN 32 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1wfp s LYS 33 N -5.75 3.41 -0.64 1.20 2.20 -1.26 -4.50 119.74 114.39 1wfp s LYS 33 Ca 0.16 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 1wfp s LYS 33 Cb -0.07 -3.14 -0.13 0.00 -1.51 0.00 0.00 37.83 32.98 1wfp s LYS 33 CO 0.75 0.75 2.48 1.17 -0.36 0.00 0.00 175.35 180.14 1wfp n LYS 34 N 1.71 0.71 -0.02 4.03 3.00 -1.26 0.16 118.16 126.49 1wfp n LYS 34 Ca -0.17 0.05 0.05 0.00 -0.00 0.00 0.00 58.31 58.24 1wfp n LYS 34 Cb 0.54 -2.64 -0.13 0.00 0.00 0.00 0.00 35.03 32.81 1wfp n LYS 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1wfp n VAL 35 N 7.71 0.19 0.00 3.15 0.24 -1.05 -4.92 118.33 123.65 1wfp n VAL 35 Ca 0.47 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1wfp n VAL 35 Cb 0.32 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1wfp n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfp n GLY 36 N 1.66 2.45 0.11 7.63 0.00 -1.17 0.15 105.19 116.02 1wfp n GLY 36 Ca -0.07 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1wfp n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wfp h VAL 37 N 0.00 1.55 -1.07 1.61 3.04 -1.96 -3.28 116.25 116.14 1wfp h VAL 37 Ca 0.00 -2.41 0.30 0.00 -1.01 0.00 0.00 66.70 63.58 1wfp h VAL 37 Cb 0.00 3.13 -0.06 0.00 -2.01 0.00 0.00 31.29 32.34 1wfp h VAL 37 CO 0.00 0.67 0.74 0.71 -1.01 0.00 0.00 177.57 178.68 1wfp h THR 38 N -0.44 0.48 -1.83 3.17 1.35 -1.79 -3.43 112.91 110.42 1wfp h THR 38 Ca -0.10 -0.05 -0.52 0.00 -0.55 0.00 0.00 66.41 65.18 1wfp h THR 38 Cb 1.46 0.32 0.20 0.00 -1.73 0.00 0.00 68.15 68.40 1wfp h THR 38 CO 0.12 0.03 -1.48 0.61 -0.25 0.00 0.00 175.52 174.55 1wfp n GLY 39 N -1.65 -3.80 3.39 5.82 0.00 0.12 -4.93 105.19 104.14 1wfp n GLY 39 Ca 0.24 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1wfp n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wfp s PHE 40 N -1.83 3.00 0.52 1.61 0.40 0.20 -4.90 117.98 116.97 1wfp s PHE 40 Ca 0.42 -0.66 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 1wfp s PHE 40 Cb -0.27 -2.11 -0.07 0.00 0.51 0.00 0.00 43.02 41.08 1wfp s PHE 40 CO 0.70 -0.39 1.08 0.21 0.70 0.00 0.00 175.22 177.52 1wfp s LYS 41 N 1.29 3.57 0.32 0.44 2.20 -1.26 -1.81 119.74 124.48 1wfp s LYS 41 Ca 0.04 1.47 0.09 0.00 -0.36 0.00 0.00 55.97 57.20 1wfp s LYS 41 Cb -0.15 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.06 1wfp s LYS 41 CO 0.00 -0.64 -0.09 0.00 -0.36 0.00 0.00 175.35 174.26 1wfp h ARG 43 N 2.12 0.00 0.00 0.00 3.08 -1.95 0.67 114.38 118.30 1wfp h ARG 43 Ca -0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 1wfp h ARG 43 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1wfp h ARG 43 CO 0.69 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 179.55 1wfp n GLY 45 N 0.62 2.50 3.47 0.00 0.00 0.23 -4.96 105.19 107.06 1wfp n GLY 45 Ca 0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wfp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfp n SER 46 N 0.16 -1.47 -4.58 1.61 7.64 -1.26 -4.49 113.62 111.24 1wfp n SER 46 Ca 0.00 -0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1wfp n SER 46 Cb 0.00 -1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 61.84 1wfp n SER 46 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wfp s THR 47 N -2.42 3.70 0.37 0.44 2.01 -1.26 -2.45 115.64 116.03 1wfp s THR 47 Ca 0.65 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1wfp s THR 47 Cb -0.22 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1wfp s THR 47 CO 0.64 0.60 0.16 -0.36 -0.69 0.00 0.00 174.62 174.97 1wfp s PHE 48 N -0.78 1.75 0.38 4.92 0.40 -0.75 -1.75 117.98 122.14 1wfp s PHE 48 Ca 0.12 -1.37 0.07 0.00 -0.60 0.00 0.00 56.93 55.15 1wfp s PHE 48 Cb -0.11 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1wfp s PHE 48 CO 0.01 -0.44 0.44 0.00 0.70 0.00 0.00 175.22 175.93 1wfp h GLY 50 N 0.93 0.00 0.12 0.00 0.00 -1.97 0.61 103.07 102.77 1wfp h GLY 50 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 1wfp h GLY 50 CO 0.53 0.00 -0.93 -0.84 0.00 0.00 0.00 176.54 175.29 1wfp h THR 51 N 0.00 1.19 -0.80 4.70 2.02 -2.01 -3.38 112.91 114.64 1wfp h THR 51 Ca 0.00 -2.28 -0.50 0.00 0.77 0.00 0.00 66.41 64.41 1wfp h THR 51 Cb 0.85 2.67 -0.27 0.00 -1.74 0.00 0.00 68.15 69.66 1wfp h THR 51 CO 0.00 0.48 0.31 1.41 0.37 0.00 0.00 175.52 178.10 1wfp n HIS 52 N -4.37 2.59 0.05 3.16 -0.00 -0.24 -4.58 115.22 111.84 1wfp n HIS 52 Ca -0.24 -2.26 -0.18 0.00 -0.00 0.00 0.00 57.72 55.04 1wfp n HIS 52 Cb 0.67 -0.91 -0.09 0.00 -0.00 0.00 0.00 29.99 29.66 1wfp n HIS 52 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wfp h ARG 53 N 1.53 0.61 -7.16 -0.41 0.11 -0.03 -3.39 114.38 105.64 1wfp h ARG 53 Ca 0.48 -0.67 -0.49 0.00 0.10 0.00 0.00 59.98 59.40 1wfp h ARG 53 Cb 1.66 0.19 0.07 0.00 1.11 0.00 0.00 29.97 33.00 1wfp h ARG 53 CO 1.04 1.27 0.39 0.71 0.10 0.00 0.00 179.97 183.48 1wfp s TYR 54 N -3.26 2.86 0.21 4.08 1.51 -1.26 -4.84 117.35 116.64 1wfp s TYR 54 Ca -0.08 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 57.49 1wfp s TYR 54 Cb 0.07 -3.10 0.18 0.00 -0.11 0.00 0.00 41.96 39.00 1wfp s TYR 54 CO 0.91 -1.26 1.57 -1.00 -1.11 0.00 0.00 175.55 174.66 1wfp h PRO 55 N 0.69 0.59 -0.52 -1.71 0.13 -1.88 -2.98 132.00 126.32 1wfp h PRO 55 Ca -0.48 -0.31 -0.04 0.00 -0.87 0.00 0.00 66.00 64.30 1wfp h PRO 55 Cb 1.23 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1wfp h PRO 55 CO 0.57 0.90 0.16 1.05 -0.23 0.00 0.00 178.00 180.45 1wfp h GLU 56 N 0.48 0.78 -0.05 0.86 4.11 -1.97 -2.33 114.58 116.45 1wfp h GLU 56 Ca 0.04 -0.14 -0.12 0.00 0.07 0.00 0.00 59.36 59.21 1wfp h GLU 56 Cb 0.94 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1wfp h GLU 56 CO 0.08 0.68 -0.53 1.03 0.07 0.00 0.00 179.01 180.35 1wfp h SER 57 N 0.76 0.15 -3.44 3.06 0.87 -1.90 -3.41 113.55 109.64 1wfp h SER 57 Ca 0.17 -0.07 -0.61 0.00 -1.23 0.00 0.00 61.79 60.05 1wfp h SER 57 Cb 0.23 -0.04 -0.37 0.00 -0.44 0.00 0.00 62.40 61.78 1wfp h SER 57 CO -0.01 0.65 -0.81 -1.38 -0.53 0.00 0.00 176.83 174.75 1wfp s HIS 58 N -3.87 2.34 -0.91 2.24 -3.43 -0.88 -5.00 115.29 105.77 1wfp s HIS 58 Ca -0.03 -1.56 -0.18 0.00 -0.80 0.00 0.00 55.06 52.49 1wfp s HIS 58 Cb 0.13 -1.60 -0.25 0.00 -1.43 0.00 0.00 32.58 29.43 1wfp s HIS 58 CO 0.77 -0.73 2.33 0.39 -2.00 0.00 0.00 174.74 175.50 1wfp n GLU 59 N 4.70 0.20 -1.89 -0.38 1.02 -1.25 -4.62 120.64 118.42 1wfp n GLU 59 Ca -0.14 -0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.39 1wfp n GLU 59 Cb 0.46 -1.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1wfp n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfp h GLN 61 N 7.05 0.40 -6.46 0.00 1.08 -1.97 -3.47 115.11 111.74 1wfp h GLN 61 Ca -0.43 -0.68 -0.60 0.00 -1.45 0.00 0.00 58.65 55.49 1wfp h GLN 61 Cb 1.20 0.25 0.12 0.00 -0.05 0.00 0.00 27.48 29.01 1wfp h GLN 61 CO 0.93 1.32 -0.00 0.34 -0.95 0.00 0.00 178.83 180.47 1wfp n PHE 62 N -3.93 0.82 -2.43 2.96 7.35 -1.26 -4.86 117.46 116.11 1wfp n PHE 62 Ca -0.16 0.67 -0.43 0.00 -0.76 0.00 0.00 57.45 56.76 1wfp n PHE 62 Cb 0.95 -2.18 -0.02 0.00 0.35 0.00 0.00 39.48 38.58 1wfp n PHE 62 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wfp s ASP 63 N -0.70 6.49 1.34 -2.13 1.11 -1.26 -4.99 116.67 116.53 1wfp s ASP 63 Ca 0.61 0.82 -0.19 0.00 0.18 0.00 0.00 52.55 53.97 1wfp s ASP 63 Cb -0.66 -2.54 0.29 0.00 1.07 0.00 0.00 42.92 41.08 1wfp s ASP 63 CO 0.59 -1.30 0.77 0.49 1.18 0.00 0.00 175.17 176.89 1wfp n PHE 64 N 8.29 -3.56 -2.78 4.23 3.01 -1.26 -5.05 117.46 120.33 1wfp n PHE 64 Ca 0.15 -0.71 -0.22 0.00 1.01 0.00 0.00 57.45 57.68 1wfp n PHE 64 Cb 0.48 -0.99 0.09 0.00 -0.01 0.00 0.00 39.48 39.04 1wfp n PHE 64 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wfp s LYS 65 N -4.80 1.98 0.39 -1.08 1.02 -1.26 -5.00 119.74 110.98 1wfp s LYS 65 Ca 0.56 -1.33 0.08 0.00 0.02 0.00 0.00 55.97 55.30 1wfp s LYS 65 Cb -0.08 -2.48 0.78 0.00 -0.52 0.00 0.00 37.83 35.53 1wfp s LYS 65 CO 0.45 -1.16 1.94 0.78 -0.92 0.00 0.00 175.35 176.44 1wfp h GLY 66 N -0.20 0.36 -6.64 -3.33 0.00 -2.07 -3.43 103.07 87.77 1wfp h GLY 66 Ca -0.34 -0.20 -0.53 0.00 0.00 0.00 0.00 47.33 46.26 1wfp h GLY 66 CO 0.41 0.19 1.58 3.33 0.00 0.00 0.00 176.54 182.04 1wfp n VAL 67 N -4.32 0.00 -3.43 4.60 0.24 -1.26 -4.82 118.33 109.34 1wfp n VAL 67 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1wfp n VAL 67 Cb 0.22 -0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 32.03 1wfp n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfp n ALA 68 N 9.32 3.31 -3.67 2.33 0.00 -1.26 -4.91 120.51 125.64 1wfp n ALA 68 Ca 0.60 -4.10 -0.29 0.00 0.00 0.00 0.00 53.44 49.65 1wfp n ALA 68 Cb 0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 1wfp n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wfp n SER 69 N 1.47 -1.01 -4.67 0.00 7.64 -1.26 -4.80 113.62 110.99 1wfp n SER 69 Ca 0.26 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.83 1wfp n SER 69 Cb 0.44 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 1wfp n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfp s GLY 70 N -2.78 1.91 0.20 0.23 0.00 -1.26 -4.94 107.32 100.69 1wfp s GLY 70 Ca 0.51 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.36 1wfp s GLY 70 CO 0.72 2.00 1.56 -0.56 0.00 0.00 0.00 173.10 176.83 1wfp h PRO 71 N 7.38 0.63 -2.36 2.90 0.13 -2.06 -3.46 132.00 135.17 1wfp h PRO 71 Ca -0.24 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1wfp h PRO 71 Cb 1.09 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.07 1wfp h PRO 71 CO 0.92 0.93 0.22 -1.54 -0.23 0.00 0.00 178.00 178.30 1wfp s SER 72 N -6.86 -0.60 -0.36 1.44 1.04 -1.26 -5.13 113.70 101.96 1wfp s SER 72 Ca -0.08 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1wfp s SER 72 Cb 0.12 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.87 1wfp s SER 72 CO 0.84 -0.73 0.11 -0.94 0.98 0.00 0.00 173.24 173.49 1wfp s SER 73 N -1.81 5.04 0.00 7.02 1.04 -1.26 -5.22 113.70 118.51 1wfp s SER 73 Ca -0.06 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.58 1wfp s SER 73 Cb -0.00 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1wfp s SER 73 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.42