#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfp n SER 2 N 0.00 -3.39 -3.82 1.61 7.64 -1.26 -4.99 113.62 109.42 1wfp n SER 2 Ca 0.00 -0.74 -0.12 0.00 1.01 0.00 0.00 58.87 59.02 1wfp n SER 2 Cb 0.00 -4.26 -0.11 0.00 -1.01 0.00 0.00 64.21 58.83 1wfp n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfp s SER 3 N -3.82 -0.14 0.13 6.43 0.15 -1.26 -5.17 113.70 110.02 1wfp s SER 3 Ca 0.33 0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1wfp s SER 3 Cb -0.16 0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wfp s SER 3 CO 0.80 -0.24 0.15 0.61 1.20 0.00 0.00 173.24 175.76 1wfp n GLY 4 N 2.18 3.18 3.55 9.45 0.00 -1.26 -5.18 105.19 117.10 1wfp n GLY 4 Ca -0.17 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1wfp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfp s SER 5 N -1.85 -0.41 0.26 1.61 0.01 -1.26 -5.19 113.70 106.88 1wfp s SER 5 Ca 0.13 0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.53 1wfp s SER 5 Cb 0.00 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.61 1wfp s SER 5 CO 0.09 -0.47 0.62 -0.44 0.41 0.00 0.00 173.24 173.46 1wfp s SER 6 N -1.55 -0.21 0.02 2.44 0.01 -1.26 -5.17 113.70 107.98 1wfp s SER 6 Ca -0.01 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.60 1wfp s SER 6 Cb -0.01 0.67 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 1wfp s SER 6 CO -0.01 -1.25 -0.13 -0.83 0.41 0.00 0.00 173.24 171.44 1wfp s GLY 7 N -2.95 1.65 -0.49 3.44 0.00 -1.26 -5.02 107.32 102.69 1wfp s GLY 7 Ca 0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 1wfp s GLY 7 CO 0.07 -0.97 2.59 -1.30 0.00 0.00 0.00 173.10 173.49 1wfp n THR 8 N 1.61 3.31 -3.86 0.90 -2.24 -1.26 -4.88 114.28 107.86 1wfp n THR 8 Ca -0.16 -3.01 -0.12 0.00 -2.27 0.00 0.00 64.05 58.50 1wfp n THR 8 Cb 0.52 -1.51 -0.12 0.00 -2.10 0.00 0.00 70.33 67.12 1wfp n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfp s ARG 9 N -2.07 0.18 0.00 -0.78 3.03 -1.26 -5.16 118.95 112.90 1wfp s ARG 9 Ca 0.55 -0.02 0.00 0.00 2.03 0.00 0.00 55.73 58.29 1wfp s ARG 9 Cb 0.38 0.08 0.00 0.00 -1.03 0.00 0.00 34.95 34.38 1wfp s ARG 9 CO -0.22 -0.03 0.00 0.41 -1.13 0.00 0.00 175.30 174.33 1wfp n GLY 10 N 2.66 0.97 0.00 3.88 0.00 -1.26 -4.94 105.19 106.50 1wfp n GLY 10 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1wfp n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfp n GLY 11 N 5.00 3.28 0.32 -0.02 0.00 -1.26 -4.92 105.19 107.58 1wfp n GLY 11 Ca 0.00 -1.01 0.16 0.00 0.00 0.00 0.00 46.02 45.17 1wfp n GLY 11 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wfp h ASP 12 N 0.56 -0.09 -3.07 1.61 2.03 -2.07 -3.31 116.42 112.08 1wfp h ASP 12 Ca 0.00 0.23 -0.55 0.00 -0.73 0.00 0.00 57.03 55.98 1wfp h ASP 12 Cb 0.00 0.33 -0.40 0.00 -0.83 0.00 0.00 39.33 38.43 1wfp h ASP 12 CO 0.00 -0.24 -0.76 -0.44 -1.03 0.00 0.00 179.24 176.76 1wfp s SER 13 N -5.00 3.63 -0.03 4.15 0.01 -1.26 -5.11 113.70 110.10 1wfp s SER 13 Ca -0.12 -1.35 -0.30 0.00 1.31 0.00 0.00 55.95 55.49 1wfp s SER 13 Cb 0.28 -0.65 0.11 0.00 0.21 0.00 0.00 66.02 65.96 1wfp s SER 13 CO 0.77 -0.40 0.96 0.00 0.41 0.00 0.00 173.24 174.98 1wfp s ALA 14 N 1.81 -1.86 -0.11 1.44 0.00 -1.25 -5.10 121.76 116.70 1wfp s ALA 14 Ca 0.07 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 1wfp s ALA 14 Cb -0.17 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1wfp s ALA 14 CO -0.25 -0.71 0.10 0.00 0.00 0.00 0.00 175.76 174.91 1wfp s ALA 15 N -3.00 0.17 -0.21 0.00 0.00 -1.26 -4.71 121.76 112.75 1wfp s ALA 15 Ca 0.06 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1wfp s ALA 15 Cb -0.01 -0.86 0.13 0.00 0.00 0.00 0.00 23.12 22.39 1wfp s ALA 15 CO -0.07 -0.79 1.06 0.00 0.00 0.00 0.00 175.76 175.95 1wfp s ALA 16 N 2.20 -1.97 1.00 0.00 0.00 -1.26 -4.93 121.76 116.80 1wfp s ALA 16 Ca 0.04 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1wfp s ALA 16 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1wfp s ALA 16 CO -0.06 -0.28 0.00 -0.35 0.00 0.00 0.00 175.76 175.07 1wfp n PRO 17 N 1.10 0.25 -0.95 0.00 -0.04 -1.26 -4.96 135.00 129.13 1wfp n PRO 17 Ca -0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.00 1wfp n PRO 17 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 1wfp n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1wfp n LEU 18 N 0.00 -4.12 -3.17 1.53 -0.00 -1.26 -4.28 117.00 105.71 1wfp n LEU 18 Ca 0.00 0.12 -0.26 0.00 -0.00 0.00 0.00 56.01 55.88 1wfp n LEU 18 Cb 0.00 -0.76 -0.12 0.00 -0.00 0.00 0.00 43.42 42.54 1wfp n LEU 18 CO 0.00 -4.47 1.55 -0.90 -0.00 0.00 0.00 177.39 173.56 1wfp n ASP 19 N 2.47 -0.10 -4.67 1.45 5.75 -1.26 -4.84 116.55 115.35 1wfp n ASP 19 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.49 1wfp n ASP 19 Cb 0.62 -0.58 0.18 0.00 -1.03 0.00 0.00 41.12 40.31 1wfp n ASP 19 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1wfp s PRO 20 N 5.99 0.30 1.04 0.11 0.04 -1.26 -5.04 135.00 136.18 1wfp s PRO 20 Ca 0.95 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.34 1wfp s PRO 20 Cb -0.82 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 32.21 1wfp s PRO 20 CO 0.36 -2.81 1.09 -1.25 0.04 0.00 0.00 177.00 174.43 1wfp s PRO 21 N -4.96 0.12 0.33 0.56 0.04 -1.26 -4.88 135.00 124.95 1wfp s PRO 21 Ca 0.66 0.42 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1wfp s PRO 21 Cb -0.19 -1.71 1.00 0.00 0.04 0.00 0.00 34.50 33.64 1wfp s PRO 21 CO 0.58 -2.91 1.58 0.87 0.04 0.00 0.00 177.00 177.15 1wfp h LYS 22 N -2.02 0.01 -6.47 4.56 1.57 -2.04 -3.38 116.57 108.80 1wfp h LYS 22 Ca -0.54 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.71 1wfp h LYS 22 Cb 1.33 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1wfp h LYS 22 CO 0.55 0.01 -0.07 -1.12 -0.57 0.00 0.00 179.45 178.25 1wfp s SER 23 N -4.81 6.71 -0.10 0.86 0.01 -1.26 -5.09 113.70 110.02 1wfp s SER 23 Ca -0.11 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.21 1wfp s SER 23 Cb 0.31 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1wfp s SER 23 CO 0.78 -0.05 -0.21 -0.89 0.41 0.00 0.00 173.24 173.28 1wfp s THR 24 N -1.76 1.84 0.51 1.44 2.01 -1.26 -4.98 115.64 113.43 1wfp s THR 24 Ca 0.46 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1wfp s THR 24 Cb -0.12 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1wfp s THR 24 CO 0.20 0.51 0.36 0.00 -0.69 0.00 0.00 174.62 175.00 1wfp s ALA 25 N 0.48 4.25 -0.19 7.40 0.00 -1.26 -5.13 121.76 127.31 1wfp s ALA 25 Ca -0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 1wfp s ALA 25 Cb -0.17 -0.70 0.06 0.00 0.00 0.00 0.00 23.12 22.30 1wfp s ALA 25 CO 0.06 -0.36 0.03 0.99 0.00 0.00 0.00 175.76 176.48 1wfp s THR 26 N -2.71 0.58 0.28 0.00 2.01 -1.26 -4.99 115.64 109.54 1wfp s THR 26 Ca 0.36 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1wfp s THR 26 Cb -0.01 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1wfp s THR 26 CO 0.22 -0.16 0.11 -0.13 -0.69 0.00 0.00 174.62 173.96 1wfp s ARG 27 N 1.84 1.48 1.21 4.92 0.52 -1.26 -1.52 118.95 126.14 1wfp s ARG 27 Ca -0.01 -1.82 -0.14 0.00 -0.52 0.00 0.00 55.73 53.25 1wfp s ARG 27 Cb -0.17 -0.28 0.31 0.00 0.52 0.00 0.00 34.95 35.33 1wfp s ARG 27 CO -0.08 -0.33 1.01 0.00 0.02 0.00 0.00 175.30 175.93 1wfp n LEU 29 N -5.07 0.43 -0.05 0.00 7.94 -0.89 -3.13 117.00 116.23 1wfp n LEU 29 Ca 0.03 -0.23 -0.08 0.00 -1.11 0.00 0.00 56.01 54.62 1wfp n LEU 29 Cb 0.55 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 1wfp n LEU 29 CO 0.57 0.11 -0.83 -1.20 -1.11 0.00 0.00 177.39 174.92 1wfp n SER 30 N -1.86 2.38 -0.77 1.96 7.64 -1.26 -4.68 113.62 117.03 1wfp n SER 30 Ca -0.00 0.01 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1wfp n SER 30 Cb 0.43 -0.21 0.11 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.01 -0.45 -4.79 0.00 4.13 -1.18 -4.79 115.26 109.19 1wfp n ASN 32 Ca 0.12 -1.21 -0.37 0.00 1.68 0.00 0.00 54.58 54.79 1wfp n ASN 32 Cb 0.46 -1.53 -0.06 0.00 -1.54 0.00 0.00 39.78 37.10 1wfp n ASN 32 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1wfp s LYS 33 N -7.10 4.05 -0.76 3.52 2.20 -1.26 -4.41 119.74 115.98 1wfp s LYS 33 Ca 0.41 0.28 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 1wfp s LYS 33 Cb -0.24 -3.32 -0.16 0.00 -1.51 0.00 0.00 37.83 32.60 1wfp s LYS 33 CO 0.97 0.47 2.45 1.17 -0.36 0.00 0.00 175.35 180.05 1wfp n LYS 34 N 2.68 0.52 -0.02 4.03 3.00 -1.26 -0.42 118.16 126.69 1wfp n LYS 34 Ca -0.13 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1wfp n LYS 34 Cb 0.52 -2.67 -0.13 0.00 0.00 0.00 0.00 35.03 32.75 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 7.70 0.92 0.00 3.15 0.24 -0.58 -4.95 118.33 124.81 1wfp n VAL 35 Ca 0.51 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1wfp n VAL 35 Cb 0.33 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 1.46 2.09 0.18 7.63 0.00 -0.78 0.44 105.19 116.21 1wfp n GLY 36 Ca -0.15 0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.92 -0.15 1.61 3.04 -1.94 -2.98 116.25 116.74 1wfp h VAL 37 Ca 0.00 -1.56 -0.06 0.00 -1.01 0.00 0.00 66.70 64.07 1wfp h VAL 37 Cb 0.00 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.18 1wfp h VAL 37 CO 0.00 0.38 0.08 0.35 -1.01 0.00 0.00 177.57 177.37 1wfp n THR 38 N -3.55 1.12 -3.05 3.17 -2.24 0.17 -4.87 114.28 105.03 1wfp n THR 38 Ca -0.00 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 1wfp n THR 38 Cb 0.52 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 67.98 1wfp n THR 38 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wfp s GLY 39 N 0.38 1.81 -0.28 3.38 0.00 -0.37 -4.63 107.32 107.61 1wfp s GLY 39 Ca 0.10 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.32 1wfp s GLY 39 CO 0.02 -1.33 0.01 -1.36 0.00 0.00 0.00 173.10 170.44 1wfp s PHE 40 N -2.40 2.67 1.04 1.90 0.40 0.76 -4.95 117.98 117.39 1wfp s PHE 40 Ca 0.52 -2.13 -0.12 0.00 -0.60 0.00 0.00 56.93 54.61 1wfp s PHE 40 Cb -0.10 -2.01 0.20 0.00 0.51 0.00 0.00 43.02 41.62 1wfp s PHE 40 CO 0.34 -0.85 1.00 1.17 0.70 0.00 0.00 175.22 177.57 1wfp n LYS 41 N 4.58 -1.32 -4.28 0.44 4.81 -1.26 -2.24 118.16 118.89 1wfp n LYS 41 Ca -0.05 -0.34 -0.15 0.00 -0.87 0.00 0.00 58.31 56.90 1wfp n LYS 41 Cb 0.43 -2.23 -0.10 0.00 0.02 0.00 0.00 35.03 33.15 1wfp n LYS 41 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wfp h ARG 43 N 2.61 0.06 0.00 0.00 3.08 -1.96 0.64 114.38 118.80 1wfp h ARG 43 Ca -0.37 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1wfp h ARG 43 Cb 1.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1wfp h ARG 43 CO 0.63 0.04 -0.02 0.00 -1.07 0.00 0.00 179.97 179.55 1wfp n GLY 45 N 0.49 2.30 3.44 0.00 0.00 0.22 -4.95 105.19 106.69 1wfp n GLY 45 Ca 0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 0.15 -1.67 -4.39 1.61 7.64 -1.26 -4.45 113.62 111.25 1wfp n SER 46 Ca 0.00 -0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1wfp n SER 46 Cb 0.00 -1.20 -0.14 0.00 -1.01 0.00 0.00 64.21 61.86 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 -2.39 2.95 0.38 0.44 2.01 -1.26 -2.06 115.64 115.72 1wfp s THR 47 Ca 0.63 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1wfp s THR 47 Cb -0.21 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1wfp s THR 47 CO 0.65 0.55 0.06 -0.36 -0.69 0.00 0.00 174.62 174.82 1wfp s PHE 48 N 0.04 2.02 0.47 4.92 0.40 -0.95 -2.09 117.98 122.79 1wfp s PHE 48 Ca -0.05 -0.97 0.06 0.00 -0.60 0.00 0.00 56.93 55.37 1wfp s PHE 48 Cb -0.15 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1wfp s PHE 48 CO 0.04 0.06 0.65 0.00 0.70 0.00 0.00 175.22 176.67 1wfp h GLY 50 N 0.43 0.00 0.00 0.00 0.00 -1.96 0.31 103.07 101.85 1wfp h GLY 50 Ca -0.40 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1wfp h GLY 50 CO 0.46 0.00 -0.85 -0.84 0.00 0.00 0.00 176.54 175.32 1wfp h THR 51 N 0.00 0.68 -0.98 4.70 2.02 -1.99 -3.38 112.91 113.96 1wfp h THR 51 Ca 0.00 -1.79 -0.59 0.00 0.77 0.00 0.00 66.41 64.81 1wfp h THR 51 Cb 0.58 1.56 -0.30 0.00 -1.74 0.00 0.00 68.15 68.26 1wfp h THR 51 CO 0.00 0.23 0.72 1.41 0.37 0.00 0.00 175.52 178.25 1wfp n HIS 52 N -4.52 3.10 0.08 3.16 -0.00 -0.66 -4.48 115.22 111.90 1wfp n HIS 52 Ca -0.21 -2.42 -0.11 0.00 -0.00 0.00 0.00 57.72 54.98 1wfp n HIS 52 Cb 0.50 -1.17 -0.04 0.00 -0.00 0.00 0.00 29.99 29.28 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 1.49 0.27 -7.12 -0.41 0.11 -0.62 -3.39 114.38 104.72 1wfp h ARG 53 Ca 0.61 -0.31 -0.47 0.00 0.10 0.00 0.00 59.98 59.91 1wfp h ARG 53 Cb 1.84 0.09 0.02 0.00 1.11 0.00 0.00 29.97 33.04 1wfp h ARG 53 CO 1.32 1.04 0.37 0.71 0.10 0.00 0.00 179.97 183.51 1wfp s TYR 54 N -3.14 3.16 0.09 4.08 1.51 -1.26 -4.89 117.35 116.90 1wfp s TYR 54 Ca -0.04 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 57.42 1wfp s TYR 54 Cb 0.09 -2.95 -0.09 0.00 -0.11 0.00 0.00 41.96 38.90 1wfp s TYR 54 CO 0.85 -0.61 1.41 -1.00 -1.11 0.00 0.00 175.55 175.09 1wfp h PRO 55 N 1.32 0.67 -0.47 -1.71 0.13 -1.88 -2.90 132.00 127.17 1wfp h PRO 55 Ca -0.48 -0.36 0.08 0.00 -0.87 0.00 0.00 66.00 64.37 1wfp h PRO 55 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1wfp h PRO 55 CO 0.60 0.97 0.32 1.05 -0.23 0.00 0.00 178.00 180.70 1wfp h GLU 56 N 0.41 0.29 0.00 0.86 4.11 -1.98 -0.33 114.58 117.93 1wfp h GLU 56 Ca 0.04 -0.02 -0.18 0.00 0.07 0.00 0.00 59.36 59.28 1wfp h GLU 56 Cb 0.85 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1wfp h GLU 56 CO 0.07 0.19 -0.83 0.77 0.07 0.00 0.00 179.01 179.28 1wfp h SER 57 N 0.29 0.03 -3.44 3.06 0.02 -1.91 -3.42 113.55 108.18 1wfp h SER 57 Ca 0.21 -0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 60.53 1wfp h SER 57 Cb 0.46 -0.01 -0.37 0.00 0.14 0.00 0.00 62.40 62.62 1wfp h SER 57 CO -0.05 0.84 -0.80 -1.38 -1.14 0.00 0.00 176.83 174.30 1wfp s HIS 58 N -3.14 2.30 -0.91 3.45 -3.43 -0.14 -5.02 115.29 108.40 1wfp s HIS 58 Ca -0.00 -1.53 -0.20 0.00 -0.80 0.00 0.00 55.06 52.52 1wfp s HIS 58 Cb 0.11 -1.58 -0.24 0.00 -1.43 0.00 0.00 32.58 29.44 1wfp s HIS 58 CO 0.80 -0.73 2.39 0.39 -2.00 0.00 0.00 174.74 175.59 1wfp n GLU 59 N 4.71 0.21 -1.81 -0.38 1.02 -1.24 -4.61 120.64 118.54 1wfp n GLU 59 Ca -0.14 -0.15 -0.43 0.00 -0.02 0.00 0.00 57.16 56.43 1wfp n GLU 59 Cb 0.46 -1.88 -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 11.77 0.48 -6.33 0.00 4.20 -1.98 -3.44 115.11 119.81 1wfp h GLN 61 Ca -0.42 -0.23 -0.64 0.00 0.06 0.00 0.00 58.65 57.42 1wfp h GLN 61 Cb 1.21 -0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.03 1wfp h GLN 61 CO 0.97 0.79 0.78 0.34 -0.67 0.00 0.00 178.83 181.03 1wfp n PHE 62 N -4.48 2.03 -1.66 2.96 7.35 -1.26 -4.83 117.46 117.57 1wfp n PHE 62 Ca -0.05 0.36 -0.44 0.00 -0.76 0.00 0.00 57.45 56.56 1wfp n PHE 62 Cb 0.37 -2.49 -0.04 0.00 0.35 0.00 0.00 39.48 37.67 1wfp n PHE 62 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1wfp n ASP 63 N 4.13 3.86 -3.56 -2.13 9.92 -1.26 -4.95 116.55 122.56 1wfp n ASP 63 Ca 0.20 0.86 -0.27 0.00 -0.53 0.00 0.00 54.79 55.04 1wfp n ASP 63 Cb 0.24 -1.48 0.22 0.00 -0.64 0.00 0.00 41.12 39.46 1wfp n ASP 63 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1wfp n PHE 64 N 7.66 -3.88 -0.91 1.24 3.72 -1.26 -4.88 117.46 119.16 1wfp n PHE 64 Ca 0.22 -0.97 -0.10 0.00 -0.05 0.00 0.00 57.45 56.55 1wfp n PHE 64 Cb 0.37 -1.02 -0.11 0.00 -0.94 0.00 0.00 39.48 37.79 1wfp n PHE 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1wfp n LYS 65 N -4.28 1.77 -3.35 -1.08 4.81 -1.26 -4.63 118.16 110.14 1wfp n LYS 65 Ca 0.14 -0.87 -0.18 0.00 -0.87 0.00 0.00 58.31 56.53 1wfp n LYS 65 Cb 0.54 -1.74 0.06 0.00 0.02 0.00 0.00 35.03 33.91 1wfp n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfp n GLY 66 N 2.03 -0.22 3.57 3.14 0.00 -1.26 -5.01 105.19 107.43 1wfp n GLY 66 Ca 0.32 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1wfp n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wfp s VAL 67 N -3.25 3.58 -0.72 1.61 1.01 -1.26 -5.08 120.40 116.29 1wfp s VAL 67 Ca 0.43 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wfp s VAL 67 Cb -0.19 -2.48 0.18 0.00 0.00 0.00 0.00 36.38 33.90 1wfp s VAL 67 CO 0.57 0.55 0.57 0.00 0.00 0.00 0.00 175.10 176.79 1wfp s ALA 68 N -0.84 3.82 1.14 5.51 0.00 -1.26 -4.94 121.76 125.19 1wfp s ALA 68 Ca 0.13 -3.45 -0.12 0.00 0.00 0.00 0.00 51.96 48.52 1wfp s ALA 68 Cb -0.11 -2.78 0.27 0.00 0.00 0.00 0.00 23.12 20.50 1wfp s ALA 68 CO 0.03 -2.14 1.02 -1.13 0.00 0.00 0.00 175.76 173.54 1wfp n SER 69 N 3.17 -1.45 -4.17 0.00 3.41 -1.26 -4.99 113.62 108.33 1wfp n SER 69 Ca 0.12 -0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.28 1wfp n SER 69 Cb 0.38 -1.29 -0.11 0.00 -0.26 0.00 0.00 64.21 62.93 1wfp n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfp s GLY 70 N -2.43 1.95 0.00 5.00 0.00 -1.26 -4.94 107.32 105.64 1wfp s GLY 70 Ca 0.68 -2.30 0.13 0.00 0.00 0.00 0.00 44.72 43.24 1wfp s GLY 70 CO 0.64 0.96 1.20 -1.55 0.00 0.00 0.00 173.10 174.35 1wfp n PRO 71 N 4.70 0.49 -3.08 2.90 -0.04 -1.26 -4.76 135.00 133.95 1wfp n PRO 71 Ca -0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1wfp n PRO 71 Cb 0.42 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1wfp n PRO 71 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfp s SER 72 N -1.92 6.57 -0.19 3.54 1.04 -1.26 -5.02 113.70 116.46 1wfp s SER 72 Ca 0.19 1.06 -0.15 0.00 0.48 0.00 0.00 55.95 57.53 1wfp s SER 72 Cb 0.09 -2.29 -0.20 0.00 0.10 0.00 0.00 66.02 63.72 1wfp s SER 72 CO 0.15 -0.28 0.16 -0.24 0.98 0.00 0.00 173.24 174.01 1wfp n SER 73 N -0.88 1.96 -0.04 7.02 2.88 -1.26 -5.24 113.62 118.06 1wfp n SER 73 Ca 0.02 0.32 0.16 0.00 -1.33 0.00 0.00 58.87 58.03 1wfp n SER 73 Cb 0.54 -0.89 0.92 0.00 -0.75 0.00 0.00 64.21 64.02 1wfp n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42