#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfl s SER 2 N 0.00 -0.60 0.03 1.61 1.04 -1.26 -5.06 113.70 109.47 1wfl s SER 2 Ca 0.00 0.49 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 1wfl s SER 2 Cb 0.00 0.52 -0.31 0.00 0.10 0.00 0.00 66.02 66.33 1wfl s SER 2 CO 0.00 -0.67 1.00 0.77 0.98 0.00 0.00 173.24 175.32 1wfl h SER 3 N 2.69 0.60 -5.76 7.02 4.64 -2.13 -3.49 113.55 117.12 1wfl h SER 3 Ca -0.28 -0.69 -0.03 0.00 -0.47 0.00 0.00 61.79 60.33 1wfl h SER 3 Cb 1.19 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1wfl h SER 3 CO 0.38 1.55 -0.98 0.61 -0.87 0.00 0.00 176.83 177.51 1wfl n GLY 4 N 1.66 -2.03 3.00 -0.77 0.00 -1.26 -4.99 105.19 100.81 1wfl n GLY 4 Ca -0.14 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1wfl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfl s SER 5 N -1.43 4.18 0.15 1.61 0.01 -1.26 -5.10 113.70 111.87 1wfl s SER 5 Ca 0.04 -1.33 -0.10 0.00 1.31 0.00 0.00 55.95 55.87 1wfl s SER 5 Cb -0.01 -1.37 -0.00 0.00 0.21 0.00 0.00 66.02 64.85 1wfl s SER 5 CO 0.46 -0.22 0.30 -0.55 0.41 0.00 0.00 173.24 173.64 1wfl s SER 6 N 1.23 0.01 0.50 2.44 0.15 -1.26 -5.14 113.70 111.64 1wfl s SER 6 Ca -0.06 -0.78 -0.21 0.00 0.70 0.00 0.00 55.95 55.60 1wfl s SER 6 Cb -0.19 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.46 1wfl s SER 6 CO -0.06 -0.88 0.74 0.61 1.20 0.00 0.00 173.24 174.84 1wfl n GLY 7 N -0.20 -0.95 3.77 9.45 0.00 -1.26 -4.38 105.19 111.62 1wfl n GLY 7 Ca -0.09 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1wfl n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfl s PRO 8 N -2.06 3.42 0.08 1.61 0.04 -1.26 -5.11 135.00 131.73 1wfl s PRO 8 Ca 0.67 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 1wfl s PRO 8 Cb -0.51 -2.07 -0.26 0.00 0.04 0.00 0.00 34.50 31.70 1wfl s PRO 8 CO 0.55 -0.80 1.14 0.66 0.04 0.00 0.00 177.00 178.59 1wfl h SER 9 N 1.34 0.31 -3.36 6.66 4.64 -2.01 -3.44 113.55 117.68 1wfl h SER 9 Ca -0.50 -0.34 -0.56 0.00 -0.47 0.00 0.00 61.79 59.92 1wfl h SER 9 Cb 1.26 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1wfl h SER 9 CO 0.57 1.27 0.06 -0.55 -0.87 0.00 0.00 176.83 177.31 1wfl s SER 10 N -7.01 6.94 -0.05 4.97 0.15 -1.26 -5.05 113.70 112.39 1wfl s SER 10 Ca -0.03 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.73 1wfl s SER 10 Cb 0.08 -2.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1wfl s SER 10 CO 0.86 -0.10 0.11 -0.44 1.20 0.00 0.00 173.24 174.87 1wfl s SER 11 N 0.78 0.20 -0.28 5.45 0.01 -1.26 -5.04 113.70 113.56 1wfl s SER 11 Ca 0.36 0.22 0.18 0.00 1.31 0.00 0.00 55.95 58.01 1wfl s SER 11 Cb -0.17 0.10 0.49 0.00 0.21 0.00 0.00 66.02 66.65 1wfl s SER 11 CO 0.17 -0.17 1.11 0.00 0.41 0.00 0.00 173.24 174.76 1wfl n GLN 12 N 4.50 2.19 -3.45 12.44 10.64 -1.26 -5.02 117.38 137.42 1wfl n GLN 12 Ca -0.21 -3.68 -0.16 0.00 -1.83 0.00 0.00 57.00 51.12 1wfl n GLN 12 Cb 0.51 -1.75 -0.11 0.00 -0.86 0.00 0.00 30.24 28.02 1wfl n GLN 12 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wfl s SER 13 N -3.67 1.06 -0.30 2.61 1.04 -1.26 -5.12 113.70 108.06 1wfl s SER 13 Ca 0.34 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 1wfl s SER 13 Cb 0.36 0.60 0.18 0.00 0.10 0.00 0.00 66.02 67.26 1wfl s SER 13 CO -0.02 -0.32 1.13 -0.70 0.98 0.00 0.00 173.24 174.32 1wfl s GLU 14 N 2.39 0.18 -0.22 4.02 2.12 -1.26 -5.18 118.70 120.75 1wfl s GLU 14 Ca 0.09 0.38 -0.28 0.00 0.36 0.00 0.00 54.97 55.51 1wfl s GLU 14 Cb -0.16 0.14 0.14 0.00 0.26 0.00 0.00 34.13 34.52 1wfl s GLU 14 CO -0.14 -0.05 1.11 -1.83 -0.54 0.00 0.00 175.26 173.81 1wfl s GLU 15 N 1.72 0.44 0.29 4.30 4.04 -1.26 -5.14 118.70 123.08 1wfl s GLU 15 Ca -0.05 0.24 -0.30 0.00 0.04 0.00 0.00 54.97 54.90 1wfl s GLU 15 Cb -0.03 0.21 -0.12 0.00 0.02 0.00 0.00 34.13 34.21 1wfl s GLU 15 CO -0.14 -0.11 1.56 1.17 -1.84 0.00 0.00 175.26 175.90 1wfl n LYS 16 N 1.18 2.60 -4.03 -4.83 3.00 -1.26 -5.01 118.16 109.81 1wfl n LYS 16 Ca -0.09 0.92 -0.11 0.00 -0.00 0.00 0.00 58.31 59.03 1wfl n LYS 16 Cb 0.57 -2.68 -0.11 0.00 0.00 0.00 0.00 35.03 32.81 1wfl n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wfl s ALA 17 N -0.06 0.38 0.22 3.14 0.00 -1.26 -5.14 121.76 119.04 1wfl s ALA 17 Ca 0.64 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 1wfl s ALA 17 Cb -0.52 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1wfl s ALA 17 CO 0.49 -0.08 1.29 -1.25 0.00 0.00 0.00 175.76 176.21 1wfl s PRO 18 N -1.54 4.41 0.71 0.00 0.04 -1.26 -4.96 135.00 132.40 1wfl s PRO 18 Ca -0.12 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 1wfl s PRO 18 Cb -0.10 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 1wfl s PRO 18 CO -0.00 -0.21 -0.47 0.39 0.04 0.00 0.00 177.00 176.75 1wfl n GLU 19 N 2.31 0.00 -1.29 4.56 -0.58 -1.26 -4.78 120.64 119.61 1wfl n GLU 19 Ca 0.05 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.42 1wfl n GLU 19 Cb 0.43 -0.88 0.05 0.00 -0.57 0.00 0.00 31.44 30.47 1wfl n GLU 19 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1wfl n LEU 20 N 2.74 -0.34 -4.58 -4.62 -0.00 -1.26 -4.81 117.00 104.14 1wfl n LEU 20 Ca 0.02 0.61 -0.41 0.00 -0.00 0.00 0.00 56.01 56.22 1wfl n LEU 20 Cb 0.46 -1.12 -0.03 0.00 -0.00 0.00 0.00 43.42 42.74 1wfl n LEU 20 CO 0.47 -3.56 1.52 -2.16 -0.00 0.00 0.00 177.39 173.66 1wfl s PRO 21 N -2.29 3.09 0.80 1.47 0.04 -1.26 -4.97 135.00 131.89 1wfl s PRO 21 Ca 0.63 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 1wfl s PRO 21 Cb -0.38 -4.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.88 1wfl s PRO 21 CO 0.60 -2.16 0.35 1.63 0.04 0.00 0.00 177.00 177.46 1wfl n LYS 22 N 8.68 0.09 0.17 4.56 5.02 -1.26 -4.85 118.16 130.56 1wfl n LYS 22 Ca 0.21 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1wfl n LYS 22 Cb 0.49 -1.73 0.54 0.00 -0.02 0.00 0.00 35.03 34.31 1wfl n LYS 22 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1wfl h PRO 23 N -0.76 0.00 0.00 1.97 0.13 -2.02 -3.37 132.00 127.95 1wfl h PRO 23 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wfl h PRO 23 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1wfl h PRO 23 CO 0.38 0.00 -0.42 0.36 -0.23 0.00 0.00 178.00 178.09 1wfl n LYS 24 N -2.44 0.00 -4.25 0.86 2.85 -1.26 -5.03 118.16 108.89 1wfl n LYS 24 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 1wfl n LYS 24 Cb 0.24 -0.23 -0.03 0.00 -0.65 0.00 0.00 35.03 34.36 1wfl n LYS 24 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1wfl n LYS 25 N -2.79 -2.90 -4.38 -1.58 3.00 -1.26 -0.68 118.16 107.56 1wfl n LYS 25 Ca 0.00 0.35 -0.36 0.00 -0.00 0.00 0.00 58.31 58.30 1wfl n LYS 25 Cb 0.21 -5.04 -0.09 0.00 0.00 0.00 0.00 35.03 30.12 1wfl n LYS 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1wfl n ASN 26 N -2.64 -0.43 -4.05 3.14 6.94 -1.26 -4.91 115.26 112.04 1wfl n ASN 26 Ca 0.07 -1.24 -0.16 0.00 -0.02 0.00 0.00 54.58 53.23 1wfl n ASN 26 Cb 0.49 -1.56 -0.13 0.00 -2.36 0.00 0.00 39.78 36.22 1wfl n ASN 26 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfl s ARG 27 N -7.20 0.62 0.61 -3.83 0.52 0.14 -2.18 118.95 107.62 1wfl s ARG 27 Ca 0.41 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1wfl s ARG 27 Cb -0.24 -0.52 -0.09 0.00 0.52 0.00 0.00 34.95 34.62 1wfl s ARG 27 CO 0.99 0.12 0.38 0.00 0.02 0.00 0.00 175.30 176.82 1wfl n PHE 29 N -1.85 0.19 -0.03 0.00 -0.00 0.30 -2.57 117.46 113.50 1wfl n PHE 29 Ca 0.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 1wfl n PHE 29 Cb 0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.93 1wfl n PHE 29 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 1wfl n MET 30 N 1.32 0.15 -0.00 -4.13 1.56 -1.26 -4.78 117.12 109.97 1wfl n MET 30 Ca 0.15 0.04 0.05 0.00 -0.27 0.00 0.00 57.70 57.68 1wfl n MET 30 Cb 0.57 -1.01 -0.07 0.00 2.15 0.00 0.00 33.22 34.85 1wfl n MET 30 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wfl n ARG 32 N -1.65 -3.62 -4.50 0.00 3.00 -1.06 -4.96 116.66 103.87 1wfl n ARG 32 Ca -0.01 0.68 -0.30 0.00 -0.01 0.00 0.00 57.85 58.22 1wfl n ARG 32 Cb 0.23 -5.05 -0.13 0.00 0.00 0.00 0.00 32.46 27.51 1wfl n ARG 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1wfl s LYS 33 N -4.62 1.75 -0.18 5.56 2.20 -1.26 -4.72 119.74 118.46 1wfl s LYS 33 Ca 0.17 -1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 54.32 1wfl s LYS 33 Cb -0.02 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1wfl s LYS 33 CO 0.58 0.49 2.18 1.17 -0.36 0.00 0.00 175.35 179.41 1wfl n LYS 34 N 1.14 2.07 -0.05 4.03 0.00 -1.26 -0.67 118.16 123.43 1wfl n LYS 34 Ca -0.17 0.61 -0.05 0.00 0.00 0.00 0.00 58.31 58.70 1wfl n LYS 34 Cb 0.53 -3.17 -0.07 0.00 0.00 0.00 0.00 35.03 32.31 1wfl n LYS 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1wfl n VAL 35 N 7.37 0.62 0.00 3.15 0.24 -0.93 -4.94 118.33 123.84 1wfl n VAL 35 Ca 0.29 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1wfl n VAL 35 Cb 0.43 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1wfl n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfl n GLY 36 N 2.54 1.30 0.12 7.63 0.00 -1.01 0.21 105.19 115.97 1wfl n GLY 36 Ca -0.15 0.69 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 1wfl n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wfl h LEU 37 N 0.00 0.17 -2.56 0.99 3.38 -1.95 -3.20 115.31 112.15 1wfl h LEU 37 Ca 0.00 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1wfl h LEU 37 Cb 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1wfl h LEU 37 CO 0.00 0.95 0.10 0.35 0.09 0.00 0.00 178.44 179.92 1wfl n THR 38 N -3.63 1.60 -2.39 0.22 -2.24 0.56 -4.89 114.28 103.51 1wfl n THR 38 Ca -0.03 -0.45 -0.26 0.00 -2.27 0.00 0.00 64.05 61.04 1wfl n THR 38 Cb 0.80 -1.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1wfl n THR 38 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wfl s GLY 39 N 0.96 1.62 -0.06 3.38 0.00 -1.19 -4.31 107.32 107.71 1wfl s GLY 39 Ca 0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 1wfl s GLY 39 CO 0.01 -0.44 0.05 -0.12 0.00 0.00 0.00 173.10 172.60 1wfl s PHE 40 N -3.00 0.20 -0.38 1.90 2.19 0.64 -4.80 117.98 114.73 1wfl s PHE 40 Ca 0.54 0.11 -0.20 0.00 0.33 0.00 0.00 56.93 57.71 1wfl s PHE 40 Cb -0.11 -0.57 0.01 0.00 -1.31 0.00 0.00 43.02 41.04 1wfl s PHE 40 CO 0.45 -0.25 0.62 -0.51 1.83 0.00 0.00 175.22 177.36 1wfl s ASP 41 N 2.12 6.38 0.64 6.13 1.11 -1.26 0.80 116.67 132.59 1wfl s ASP 41 Ca 0.05 -0.01 -0.07 0.00 0.18 0.00 0.00 52.55 52.70 1wfl s ASP 41 Cb -0.12 -2.32 0.03 0.00 1.07 0.00 0.00 42.92 41.57 1wfl s ASP 41 CO -0.04 -0.63 0.96 0.00 1.18 0.00 0.00 175.17 176.63 1wfl h ARG 43 N -0.36 0.14 0.00 0.00 2.47 -1.94 -2.03 114.38 112.66 1wfl h ARG 43 Ca -0.45 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1wfl h ARG 43 Cb 1.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1wfl h ARG 43 CO 0.61 0.44 0.00 0.00 0.56 0.00 0.00 179.97 181.58 1wfl n GLY 45 N -0.32 0.69 3.34 0.00 0.00 -0.76 -5.01 105.19 103.14 1wfl n GLY 45 Ca 0.07 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1wfl n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wfl s ASN 46 N -3.01 1.44 -0.07 1.61 0.01 -1.25 -4.96 114.94 108.72 1wfl s ASN 46 Ca 0.00 -1.41 0.03 0.00 -0.71 0.00 0.00 52.86 50.78 1wfl s ASN 46 Cb -0.00 0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.79 1wfl s ASN 46 CO 0.00 -0.73 -0.15 -0.22 -1.51 0.00 0.00 177.10 174.49 1wfl s LEU 47 N -3.35 2.65 0.05 0.60 2.96 -1.26 -0.91 118.68 119.43 1wfl s LEU 47 Ca 0.37 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1wfl s LEU 47 Cb 0.08 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1wfl s LEU 47 CO 0.14 0.30 -0.06 -0.36 -1.32 0.00 0.00 176.35 175.05 1wfl s PHE 48 N -0.46 0.64 -0.88 5.38 0.40 0.24 0.11 117.98 123.41 1wfl s PHE 48 Ca 0.06 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1wfl s PHE 48 Cb -0.12 -0.39 0.05 0.00 0.51 0.00 0.00 43.02 43.06 1wfl s PHE 48 CO 0.02 -0.15 0.61 0.00 0.70 0.00 0.00 175.22 176.40 1wfl n GLY 50 N 0.07 2.40 0.24 0.00 0.00 -1.26 -4.71 105.19 101.93 1wfl n GLY 50 Ca 0.02 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1wfl n GLY 50 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wfl h LEU 51 N 0.00 0.00 -0.16 0.99 4.07 -1.94 -3.20 115.31 115.07 1wfl h LEU 51 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wfl h LEU 51 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1wfl h LEU 51 CO 0.00 0.06 -0.08 1.41 -1.08 0.00 0.00 178.44 178.75 1wfl n HIS 52 N -3.14 0.00 -0.32 1.13 8.25 -1.26 -4.74 115.22 115.13 1wfl n HIS 52 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1wfl n HIS 52 Cb 0.42 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.63 1wfl n HIS 52 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wfl n ARG 53 N -0.87 -0.10 -1.04 -0.41 1.85 -1.21 -3.80 116.66 111.07 1wfl n ARG 53 Ca 0.01 1.37 -0.36 0.00 -1.00 0.00 0.00 57.85 57.87 1wfl n ARG 53 Cb 0.03 -2.05 0.03 0.00 -1.05 0.00 0.00 32.46 29.43 1wfl n ARG 53 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1wfl n TYR 54 N -5.41 -4.78 0.05 2.89 4.02 -1.26 -4.88 117.16 107.78 1wfl n TYR 54 Ca 0.13 0.05 -0.06 0.00 -0.01 0.00 0.00 57.90 58.01 1wfl n TYR 54 Cb 0.42 -1.47 -0.11 0.00 -0.02 0.00 0.00 39.34 38.17 1wfl n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1wfl h SER 55 N -0.81 0.00 -0.43 7.72 4.64 -1.96 -3.26 113.55 119.45 1wfl h SER 55 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wfl h SER 55 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1wfl h SER 55 CO 0.26 0.92 0.00 0.47 -0.87 0.00 0.00 176.83 177.61 1wfl n ASP 56 N -3.23 4.34 -0.06 4.97 9.92 -1.26 -0.97 116.55 130.26 1wfl n ASP 56 Ca -0.05 -2.62 -0.09 0.00 -0.53 0.00 0.00 54.79 51.50 1wfl n ASP 56 Cb 0.94 -0.61 -0.05 0.00 -0.64 0.00 0.00 41.12 40.75 1wfl n ASP 56 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wfl n LYS 57 N 0.52 0.29 -0.29 -1.24 4.76 -1.23 -4.68 118.16 116.30 1wfl n LYS 57 Ca 0.20 0.08 0.09 0.00 -2.87 0.00 0.00 58.31 55.81 1wfl n LYS 57 Cb 0.90 -1.18 0.21 0.00 -1.84 0.00 0.00 35.03 33.12 1wfl n LYS 57 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wfl n HIS 58 N -3.01 0.57 -3.58 2.13 1.44 -1.25 -4.98 115.22 106.56 1wfl n HIS 58 Ca -0.22 -0.88 -0.20 0.00 -2.01 0.00 0.00 57.72 54.41 1wfl n HIS 58 Cb 0.72 -0.23 0.06 0.00 0.12 0.00 0.00 29.99 30.65 1wfl n HIS 58 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wfl n ASN 59 N -0.75 -1.92 -4.69 4.39 3.02 -1.16 -4.83 115.26 109.33 1wfl n ASN 59 Ca 0.18 -0.75 -0.51 0.00 -0.03 0.00 0.00 54.58 53.47 1wfl n ASN 59 Cb 0.76 -4.48 -0.06 0.00 -0.61 0.00 0.00 39.78 35.39 1wfl n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfl h PRO 61 N 8.29 0.16 -6.09 0.00 0.13 -1.90 -3.46 132.00 129.13 1wfl h PRO 61 Ca -0.48 -0.08 -0.38 0.00 -0.87 0.00 0.00 66.00 64.19 1wfl h PRO 61 Cb 1.29 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.62 1wfl h PRO 61 CO 0.95 0.60 -1.55 0.98 -0.23 0.00 0.00 178.00 178.75 1wfl n TYR 62 N -3.98 -1.49 -0.45 1.56 9.36 -1.26 -4.96 117.16 115.95 1wfl n TYR 62 Ca -0.02 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1wfl n TYR 62 Cb 0.51 -1.43 0.00 0.00 -0.63 0.00 0.00 39.34 37.79 1wfl n TYR 62 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1wfl n ASP 63 N 1.14 0.20 -0.35 2.98 5.68 -1.26 -4.84 116.55 120.11 1wfl n ASP 63 Ca 0.00 -0.70 0.29 0.00 -0.50 0.00 0.00 54.79 53.88 1wfl n ASP 63 Cb 0.57 0.11 0.47 0.00 -1.14 0.00 0.00 41.12 41.13 1wfl n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wfl n TYR 64 N -0.11 0.38 0.02 2.11 4.11 -1.26 0.22 117.16 122.63 1wfl n TYR 64 Ca 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 57.90 58.17 1wfl n TYR 64 Cb 0.11 -0.76 -0.06 0.00 -0.00 0.00 0.00 39.34 38.63 1wfl n TYR 64 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.86 178.43 1wfl h LYS 65 N 0.00 -0.02 -0.93 -3.48 2.10 -1.91 -2.71 116.57 109.62 1wfl h LYS 65 Ca 0.59 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.67 1wfl h LYS 65 Cb 2.01 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 33.05 1wfl h LYS 65 CO -0.25 -0.01 0.61 0.00 -2.00 0.00 0.00 179.45 177.79 1wfl n ALA 66 N -2.18 5.85 0.00 0.07 0.00 0.58 -4.52 120.51 120.32 1wfl n ALA 66 Ca -0.06 -3.29 -0.03 0.00 0.00 0.00 0.00 53.44 50.07 1wfl n ALA 66 Cb 0.06 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 1wfl n ALA 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wfl n GLU 67 N -1.00 0.15 -4.00 0.00 -0.58 -0.80 -4.85 120.64 109.57 1wfl n GLU 67 Ca 0.58 0.06 -0.36 0.00 -0.42 0.00 0.00 57.16 57.02 1wfl n GLU 67 Cb 1.05 -0.73 -0.07 0.00 -0.57 0.00 0.00 31.44 31.12 1wfl n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wfl s ALA 68 N -2.30 3.74 -1.37 0.62 0.00 -1.21 -4.42 121.76 116.82 1wfl s ALA 68 Ca -0.08 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 1wfl s ALA 68 Cb 0.01 -1.84 0.15 0.00 0.00 0.00 0.00 23.12 21.44 1wfl s ALA 68 CO 0.12 0.62 0.48 0.43 0.00 0.00 0.00 175.76 177.42 1wfl n SER 69 N 1.91 -2.19 -3.24 0.00 7.64 -1.26 -4.85 113.62 111.63 1wfl n SER 69 Ca -0.19 -0.71 -0.23 0.00 1.01 0.00 0.00 58.87 58.75 1wfl n SER 69 Cb 0.54 -1.89 -0.07 0.00 -1.01 0.00 0.00 64.21 61.79 1wfl n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfl n GLY 70 N -1.01 1.93 0.00 0.23 0.00 -1.26 -4.95 105.19 100.13 1wfl n GLY 70 Ca 0.07 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 45.04 1wfl n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfl n PRO 71 N 2.42 0.29 -1.39 1.61 -0.04 -1.26 -4.35 135.00 132.28 1wfl n PRO 71 Ca 0.25 0.11 -0.50 0.00 -0.04 0.00 0.00 63.50 63.32 1wfl n PRO 71 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1wfl n PRO 71 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfl n SER 72 N -1.21 0.89 -4.60 3.54 3.41 -1.26 -4.73 113.62 109.66 1wfl n SER 72 Ca 0.08 0.39 -0.58 0.00 -0.26 0.00 0.00 58.87 58.51 1wfl n SER 72 Cb 0.10 -1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 62.97 1wfl n SER 72 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfl n SER 73 N 9.44 1.12 0.00 4.04 7.64 -1.26 -5.00 113.62 129.60 1wfl n SER 73 Ca 0.56 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.57 1wfl n SER 73 Cb 0.06 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1wfl n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64