#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk s SER 2 N 0.00 5.08 -0.10 1.61 0.15 -1.26 -5.00 113.70 114.18 1wfk s SER 2 Ca 0.00 2.08 -0.22 0.00 0.70 0.00 0.00 55.95 58.52 1wfk s SER 2 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1wfk s SER 2 CO 0.00 -1.65 0.63 -0.44 1.20 0.00 0.00 173.24 172.98 1wfk s SER 3 N -2.36 6.86 0.00 5.45 0.01 -1.26 -4.99 113.70 117.41 1wfk s SER 3 Ca 0.69 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1wfk s SER 3 Cb -0.22 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wfk s SER 3 CO 0.40 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1wfk n GLY 4 N 3.27 4.02 3.30 3.44 0.00 -1.26 -5.18 105.19 112.78 1wfk n GLY 4 Ca -0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1wfk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfk s SER 5 N 0.00 -0.29 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.47 1wfk s SER 5 Ca 0.00 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 1wfk s SER 5 Cb 0.00 0.37 0.15 0.00 -1.71 0.00 0.00 66.02 64.83 1wfk s SER 5 CO 0.00 -0.52 0.81 -0.55 1.20 0.00 0.00 173.24 174.19 1wfk s SER 6 N -1.43 -0.87 -0.11 5.45 0.15 -1.26 -5.15 113.70 110.47 1wfk s SER 6 Ca -0.12 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1wfk s SER 6 Cb -0.03 1.98 0.02 0.00 -1.71 0.00 0.00 66.02 66.28 1wfk s SER 6 CO 0.04 -0.17 -0.10 -0.83 1.20 0.00 0.00 173.24 173.38 1wfk s GLY 7 N 2.66 0.89 -0.55 9.45 0.00 -1.26 -5.02 107.32 113.49 1wfk s GLY 7 Ca -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 1wfk s GLY 7 CO -0.18 0.59 2.21 1.15 0.00 0.00 0.00 173.10 176.87 1wfk n MET 8 N 4.66 2.38 -0.02 2.90 -0.00 -1.26 -4.46 117.12 121.32 1wfk n MET 8 Ca -0.16 -2.61 -0.20 0.00 -0.00 0.00 0.00 57.70 54.74 1wfk n MET 8 Cb 0.50 -2.06 -0.13 0.00 -0.00 0.00 0.00 33.22 31.53 1wfk n MET 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1wfk h GLU 9 N 2.27 0.16 -4.68 3.17 5.08 -2.02 -3.43 114.58 115.13 1wfk h GLU 9 Ca 0.46 -0.28 -0.68 0.00 -1.00 0.00 0.00 59.36 57.86 1wfk h GLU 9 Cb 0.67 0.10 -0.36 0.00 0.50 0.00 0.00 28.75 29.67 1wfk h GLU 9 CO 1.16 1.13 -0.68 -1.12 -1.00 0.00 0.00 179.01 178.50 1wfk s SER 10 N -6.82 4.90 0.46 1.42 0.01 -1.26 -5.09 113.70 107.32 1wfk s SER 10 Ca -0.20 -1.75 0.03 0.00 1.31 0.00 0.00 55.95 55.33 1wfk s SER 10 Cb 0.02 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1wfk s SER 10 CO 0.73 -0.37 0.08 -0.13 0.41 0.00 0.00 173.24 173.97 1wfk s ARG 11 N 1.10 2.08 0.05 12.44 0.52 -1.26 -2.55 118.95 131.34 1wfk s ARG 11 Ca 0.03 -2.31 -0.14 0.00 -0.52 0.00 0.00 55.73 52.79 1wfk s ARG 11 Cb -0.20 -0.97 -0.06 0.00 0.52 0.00 0.00 34.95 34.24 1wfk s ARG 11 CO -0.04 -0.47 0.44 0.00 0.02 0.00 0.00 175.30 175.25 1wfk n TYR 13 N 1.39 0.95 0.00 0.00 4.19 0.15 -1.43 117.16 122.42 1wfk n TYR 13 Ca -0.11 -0.70 0.00 0.00 3.31 0.00 0.00 57.90 60.40 1wfk n TYR 13 Cb 0.52 -0.40 0.00 0.00 0.49 0.00 0.00 39.34 39.95 1wfk n TYR 13 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wfk n GLY 14 N 0.03 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 102.03 1wfk n GLY 14 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1wfk n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfk n ALA 16 N -0.44 -0.34 -2.62 0.00 0.00 -0.51 -4.93 120.51 111.67 1wfk n ALA 16 Ca 0.00 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1wfk n ALA 16 Cb 0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1wfk n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wfk s VAL 17 N -2.63 4.87 0.25 0.00 0.11 -1.26 -4.47 120.40 117.26 1wfk s VAL 17 Ca 0.00 1.81 -0.30 0.00 -2.93 0.00 0.00 61.98 60.56 1wfk s VAL 17 Cb 0.00 -4.20 -0.10 0.00 -1.53 0.00 0.00 36.38 30.55 1wfk s VAL 17 CO 0.00 0.24 1.46 -0.75 -3.33 0.00 0.00 175.10 172.71 1wfk s LYS 18 N 0.68 4.25 -0.17 1.54 2.20 -1.26 -1.84 119.74 125.14 1wfk s LYS 18 Ca 0.45 2.32 -0.29 0.00 -0.36 0.00 0.00 55.97 58.09 1wfk s LYS 18 Cb -0.20 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1wfk s LYS 18 CO 0.24 -0.45 1.07 -0.06 -0.36 0.00 0.00 175.35 175.80 1wfk s PHE 19 N 0.07 3.31 0.23 4.03 0.08 -1.06 -4.74 117.98 119.91 1wfk s PHE 19 Ca 0.60 1.42 -0.06 0.00 0.12 0.00 0.00 56.93 59.01 1wfk s PHE 19 Cb -0.42 -3.29 -0.02 0.00 -0.57 0.00 0.00 43.02 38.71 1wfk s PHE 19 CO 0.43 -0.65 0.32 0.95 -0.10 0.00 0.00 175.22 176.17 1wfk s THR 20 N 2.85 0.00 0.24 0.64 -4.23 0.75 -4.95 115.64 110.94 1wfk s THR 20 Ca 0.48 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1wfk s THR 20 Cb -0.18 -2.37 0.31 0.00 1.34 0.00 0.00 72.50 71.61 1wfk s THR 20 CO 0.12 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.57 1wfk n LEU 21 N -0.35 -0.04 -0.03 4.79 4.77 -1.26 0.66 117.00 125.54 1wfk n LEU 21 Ca 0.00 1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 57.14 1wfk n LEU 21 Cb 0.64 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1wfk n LEU 21 CO 0.28 -1.32 0.54 -0.26 -1.33 0.00 0.00 177.39 175.29 1wfk h PHE 22 N 0.00 -0.01 -3.50 -1.77 -1.00 -1.97 -3.37 116.94 105.32 1wfk h PHE 22 Ca 0.48 -0.00 -0.79 0.00 2.81 0.00 0.00 57.97 60.48 1wfk h PHE 22 Cb 1.04 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 40.32 1wfk h PHE 22 CO -0.34 0.65 0.40 1.17 -1.61 0.00 0.00 178.31 178.58 1wfk n LYS 23 N -4.77 3.47 -0.72 1.51 3.00 0.21 -5.05 118.16 115.81 1wfk n LYS 23 Ca -0.09 -4.47 -0.32 0.00 -0.00 0.00 0.00 58.31 53.43 1wfk n LYS 23 Cb 0.33 -2.53 0.15 0.00 0.00 0.00 0.00 35.03 32.98 1wfk n LYS 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1wfk n LYS 24 N 2.56 -1.00 -4.01 1.64 4.76 -0.90 -0.18 118.16 121.03 1wfk n LYS 24 Ca 0.24 -0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 55.07 1wfk n LYS 24 Cb 0.39 -1.80 -0.12 0.00 -1.84 0.00 0.00 35.03 31.66 1wfk n LYS 24 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wfk s GLU 25 N -3.58 3.76 0.30 1.97 2.12 -1.26 -3.65 118.70 118.35 1wfk s GLU 25 Ca 0.57 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.55 1wfk s GLU 25 Cb -0.17 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 1wfk s GLU 25 CO 0.67 0.07 -0.05 0.71 -0.54 0.00 0.00 175.26 176.12 1wfk s TYR 26 N 0.88 2.52 0.05 5.30 1.51 0.26 -4.92 117.35 122.96 1wfk s TYR 26 Ca 0.02 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1wfk s TYR 26 Cb -0.14 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1wfk s TYR 26 CO 0.02 0.59 -0.17 0.20 -1.11 0.00 0.00 175.55 175.08 1wfk s GLY 27 N -3.65 0.95 0.50 0.71 0.00 -1.26 -0.27 107.32 104.30 1wfk s GLY 27 Ca 0.32 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1wfk s GLY 27 CO 0.18 -0.94 0.73 0.00 0.00 0.00 0.00 173.10 173.07 1wfk n LYS 29 N -2.22 0.64 0.00 0.00 4.76 -1.26 -4.06 118.16 116.02 1wfk n LYS 29 Ca 0.04 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wfk n LYS 29 Cb 0.58 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1wfk n LYS 29 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wfk n ASN 30 N -2.74 0.00 -0.02 4.39 5.15 -1.26 -4.19 115.26 116.59 1wfk n ASN 30 Ca -0.19 0.65 -0.11 0.00 -0.60 0.00 0.00 54.58 54.34 1wfk n ASN 30 Cb 0.72 -0.38 0.03 0.00 -0.53 0.00 0.00 39.78 39.61 1wfk n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfk n GLY 32 N 0.30 0.78 3.64 0.00 0.00 -1.26 -5.07 105.19 103.57 1wfk n GLY 32 Ca -0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 1wfk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfk s ARG 33 N -4.25 2.02 -0.13 1.61 0.52 -1.26 -4.86 118.95 112.60 1wfk s ARG 33 Ca 0.00 -1.98 -0.20 0.00 -0.52 0.00 0.00 55.73 53.03 1wfk s ARG 33 Cb 0.00 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 1wfk s ARG 33 CO 0.00 -0.01 0.59 0.00 0.02 0.00 0.00 175.30 175.89 1wfk s ALA 34 N -2.65 3.46 0.07 2.13 0.00 -1.26 -1.34 121.76 122.17 1wfk s ALA 34 Ca 0.36 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1wfk s ALA 34 Cb 0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1wfk s ALA 34 CO 0.19 -0.21 -0.07 -0.06 0.00 0.00 0.00 175.76 175.62 1wfk s PHE 35 N 1.08 0.74 0.09 0.00 0.08 0.63 0.32 117.98 120.92 1wfk s PHE 35 Ca 0.30 -0.73 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 1wfk s PHE 35 Cb -0.16 -0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 41.78 1wfk s PHE 35 CO 0.13 -0.14 0.60 0.00 -0.10 0.00 0.00 175.22 175.70 1wfk n ASN 37 N 1.63 0.12 -0.02 0.00 5.15 -1.24 0.23 115.26 121.14 1wfk n ASN 37 Ca -0.09 0.79 -0.12 0.00 -0.60 0.00 0.00 54.58 54.55 1wfk n ASN 37 Cb 0.51 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1wfk h GLY 38 N 0.00 0.13 1.80 8.20 0.00 -1.91 -3.17 103.07 108.12 1wfk h GLY 38 Ca 0.50 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 47.51 1wfk h GLY 38 CO -0.27 0.08 -1.07 0.00 0.00 0.00 0.00 176.54 175.28 1wfk n LEU 40 N -3.49 7.57 -1.34 0.00 7.94 0.10 -2.20 117.00 125.58 1wfk n LEU 40 Ca -0.04 -4.97 -0.09 0.00 -1.11 0.00 0.00 56.01 49.79 1wfk n LEU 40 Cb 0.94 -1.25 0.13 0.00 0.53 0.00 0.00 43.42 43.78 1wfk n LEU 40 CO 0.50 1.99 0.44 -1.54 -1.11 0.00 0.00 177.39 177.68 1wfk n SER 41 N 0.74 3.37 -4.24 1.96 3.41 -1.20 -4.71 113.62 112.94 1wfk n SER 41 Ca 0.54 -3.82 -0.14 0.00 -0.26 0.00 0.00 58.87 55.19 1wfk n SER 41 Cb 0.29 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1wfk n SER 41 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wfk s PHE 42 N -3.41 1.21 0.01 7.33 0.40 -1.14 -5.04 117.98 117.35 1wfk s PHE 42 Ca 0.46 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1wfk s PHE 42 Cb 0.40 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 43.30 1wfk s PHE 42 CO -0.01 0.05 -0.05 -1.12 0.70 0.00 0.00 175.22 174.78 1wfk s SER 43 N -3.11 0.61 -0.09 1.36 0.01 -1.26 0.10 113.70 111.33 1wfk s SER 43 Ca 0.15 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 1wfk s SER 43 Cb 0.03 -0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.34 1wfk s SER 43 CO -0.00 -0.05 0.88 0.00 0.41 0.00 0.00 173.24 174.48 1wfk s ALA 44 N -0.61 -1.85 0.08 1.44 0.00 -0.55 -4.87 121.76 115.40 1wfk s ALA 44 Ca -0.03 1.35 -0.32 0.00 0.00 0.00 0.00 51.96 52.95 1wfk s ALA 44 Cb -0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 1wfk s ALA 44 CO -0.00 -0.43 1.82 1.28 0.00 0.00 0.00 175.76 178.44 1wfk n LEU 45 N 0.51 3.81 -4.36 0.00 4.77 -1.25 -2.00 117.00 118.47 1wfk n LEU 45 Ca -0.12 0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 56.50 1wfk n LEU 45 Cb 0.59 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 1wfk n LEU 45 CO 0.17 0.07 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.23 1wfk s VAL 46 N 2.91 3.56 -0.94 4.08 1.01 -0.51 -4.77 120.40 125.74 1wfk s VAL 46 Ca 0.84 -0.44 0.15 0.00 0.00 0.00 0.00 61.98 62.54 1wfk s VAL 46 Cb -0.55 -2.61 0.13 0.00 0.00 0.00 0.00 36.38 33.36 1wfk s VAL 46 CO 0.41 0.43 1.48 -0.81 0.00 0.00 0.00 175.10 176.61 1wfk n PRO 47 N 4.54 0.02 0.10 2.72 -0.04 -1.26 0.42 135.00 141.49 1wfk n PRO 47 Ca -0.18 0.27 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1wfk n PRO 47 Cb 0.51 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 1wfk n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfk h ARG 48 N 0.00 0.41 0.07 0.54 3.08 -1.93 -3.36 114.38 113.19 1wfk h ARG 48 Ca 0.00 -0.70 -0.28 0.00 0.07 0.00 0.00 59.98 59.07 1wfk h ARG 48 Cb 0.26 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1wfk h ARG 48 CO 0.00 1.31 -1.42 0.00 -1.07 0.00 0.00 179.97 178.79 1wfk h ALA 49 N 0.24 0.36 0.00 0.04 0.00 -1.82 -3.48 119.26 114.60 1wfk h ALA 49 Ca -0.28 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1wfk h ALA 49 Cb 2.10 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1wfk h ALA 49 CO 0.21 1.23 0.00 0.41 0.00 0.00 0.00 179.25 181.10 1wfk n GLY 50 N 1.57 0.24 3.21 0.00 0.00 -0.77 -4.88 105.19 104.57 1wfk n GLY 50 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1wfk n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wfk n ASN 51 N 0.00 -2.61 -4.30 1.61 4.05 0.17 -4.96 115.26 109.21 1wfk n ASN 51 Ca 0.00 -0.55 -0.32 0.00 0.45 0.00 0.00 54.58 54.17 1wfk n ASN 51 Cb 0.00 -4.64 -0.16 0.00 1.23 0.00 0.00 39.78 36.21 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1wfk s THR 52 N -3.32 2.24 -1.07 -0.44 -4.23 -1.21 -4.69 115.64 102.92 1wfk s THR 52 Ca 0.08 -1.00 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 1wfk s THR 52 Cb -0.03 -1.83 -0.14 0.00 1.34 0.00 0.00 72.50 71.84 1wfk s THR 52 CO 0.66 0.57 1.95 1.67 -0.54 0.00 0.00 174.62 178.93 1wfk n GLN 53 N 2.91 1.23 -3.07 3.99 7.27 -1.26 -1.42 117.38 127.03 1wfk n GLN 53 Ca -0.17 -2.19 -0.24 0.00 0.07 0.00 0.00 57.00 54.47 1wfk n GLN 53 Cb 0.52 -3.63 0.00 0.00 2.41 0.00 0.00 30.24 29.55 1wfk n GLN 53 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1wfk s GLN 54 N 6.72 3.30 -0.34 3.69 -1.52 -0.85 -4.48 119.66 126.18 1wfk s GLN 54 Ca 0.70 -0.31 -0.28 0.00 -1.95 0.00 0.00 55.36 53.52 1wfk s GLN 54 Cb 0.01 -2.56 -0.02 0.00 -0.22 0.00 0.00 33.01 30.22 1wfk s GLN 54 CO 0.15 -0.11 1.85 0.15 -0.25 0.00 0.00 175.29 177.09 1wfk s LYS 55 N -4.50 3.24 0.29 2.91 -0.14 -1.26 -1.48 119.74 118.81 1wfk s LYS 55 Ca 0.45 1.42 0.10 0.00 -1.36 0.00 0.00 55.97 56.58 1wfk s LYS 55 Cb -0.10 -4.23 -0.05 0.00 -1.68 0.00 0.00 37.83 31.77 1wfk s LYS 55 CO 0.38 -1.97 -0.02 0.14 -0.76 0.00 0.00 175.35 173.12 1wfk s VAL 56 N 7.27 3.02 0.65 3.17 -7.23 0.29 -4.13 120.40 123.43 1wfk s VAL 56 Ca 0.81 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 1wfk s VAL 56 Cb -0.22 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1wfk s VAL 56 CO 0.33 -0.32 1.06 0.00 -0.31 0.00 0.00 175.10 175.86 1wfk n LYS 58 N -2.55 -0.16 0.00 0.00 3.00 -0.93 -0.60 118.16 116.91 1wfk n LYS 58 Ca 0.08 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.46 1wfk n LYS 58 Cb 0.53 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.98 1wfk n LYS 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1wfk n GLN 59 N -3.81 0.00 -0.38 1.64 7.27 -1.26 -1.30 117.38 119.54 1wfk n GLN 59 Ca 0.01 0.73 -0.03 0.00 0.07 0.00 0.00 57.00 57.77 1wfk n GLN 59 Cb 0.10 -1.23 0.01 0.00 2.41 0.00 0.00 30.24 31.52 1wfk n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfk h HIS 61 N 0.00 0.58 0.20 0.00 -0.00 0.30 0.32 115.15 116.55 1wfk h HIS 61 Ca 0.29 0.02 -0.35 0.00 -0.00 0.00 0.00 60.37 60.33 1wfk h HIS 61 Cb 0.53 -0.16 0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1wfk h HIS 61 CO -0.89 -0.09 -1.71 1.15 -0.00 0.00 0.00 177.93 176.40 1wfk h THR 62 N 0.22 0.99 0.10 6.26 2.02 0.30 -3.10 112.91 119.70 1wfk h THR 62 Ca 0.72 -2.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1wfk h THR 62 Cb 2.08 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 71.31 1wfk h THR 62 CO -0.37 0.85 -0.05 0.40 0.37 0.00 0.00 175.52 176.73 1wfk h ILE 63 N 0.12 0.90 -0.25 3.11 2.04 0.26 0.86 117.51 124.55 1wfk h ILE 63 Ca -0.33 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1wfk h ILE 63 Cb 2.12 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1wfk h ILE 63 CO 0.20 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.43 1wfk h LEU 64 N -0.14 0.30 -1.08 1.44 3.38 -0.71 -0.22 115.31 118.29 1wfk h LEU 64 Ca -0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1wfk h LEU 64 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wfk h LEU 64 CO 0.02 0.26 -0.43 0.71 0.09 0.00 0.00 178.44 179.09 1wfk h THR 65 N 0.31 1.32 0.29 0.22 1.35 -1.44 -3.29 112.91 111.66 1wfk h THR 65 Ca 0.09 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1wfk h THR 65 Cb 0.02 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1wfk h THR 65 CO -0.02 0.44 -0.14 0.03 -0.25 0.00 0.00 175.52 175.58 1wfk h ARG 66 N 0.05 -0.37 0.00 4.72 3.08 0.12 -3.48 114.38 118.49 1wfk h ARG 66 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1wfk h ARG 66 Cb 0.79 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1wfk h ARG 66 CO 0.06 -0.25 0.00 0.41 -1.07 0.00 0.00 179.97 179.12 1wfk n GLY 67 N 0.20 3.11 2.04 0.04 0.00 -0.13 -4.79 105.19 105.66 1wfk n GLY 67 Ca -0.05 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1wfk n GLY 67 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfk n SER 68 N 0.91 5.00 -1.75 1.61 7.64 -1.26 -4.83 113.62 120.93 1wfk n SER 68 Ca 0.00 -3.75 -0.09 0.00 1.01 0.00 0.00 58.87 56.04 1wfk n SER 68 Cb 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 1wfk n SER 68 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfk n SER 69 N -0.71 5.80 -3.82 6.43 2.88 -1.26 -4.81 113.62 118.12 1wfk n SER 69 Ca 0.44 -2.69 -0.11 0.00 -1.33 0.00 0.00 58.87 55.18 1wfk n SER 69 Cb 0.96 -1.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 1wfk n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfk s ASP 70 N 1.27 -0.02 -0.01 -3.46 -1.08 -1.26 -5.05 116.67 107.07 1wfk s ASP 70 Ca 0.21 -0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 51.92 1wfk s ASP 70 Cb 0.14 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.87 1wfk s ASP 70 CO -0.02 -0.57 0.15 0.54 0.52 0.00 0.00 175.17 175.79 1wfk s ASN 71 N -2.05 6.14 -0.36 -0.34 2.20 -1.26 -5.03 114.94 114.23 1wfk s ASN 71 Ca -0.05 0.28 -0.28 0.00 -0.94 0.00 0.00 52.86 51.87 1wfk s ASN 71 Cb -0.01 -1.88 -0.04 0.00 -2.00 0.00 0.00 41.25 37.32 1wfk s ASN 71 CO -0.03 0.27 2.04 0.00 -2.94 0.00 0.00 177.10 176.43 1wfk s ALA 72 N -1.28 2.51 -0.13 3.54 0.00 -1.26 -4.93 121.76 120.20 1wfk s ALA 72 Ca 0.26 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 1wfk s ALA 72 Cb -0.12 -4.13 0.05 0.00 0.00 0.00 0.00 23.12 18.91 1wfk s ALA 72 CO 0.17 -3.18 0.33 -1.12 0.00 0.00 0.00 175.76 171.96 1wfk s SER 73 N 8.11 -0.38 -0.41 0.00 0.01 -1.26 -5.13 113.70 114.64 1wfk s SER 73 Ca 0.87 0.70 -0.21 0.00 1.31 0.00 0.00 55.95 58.62 1wfk s SER 73 Cb -0.23 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.64 1wfk s SER 73 CO 0.31 -0.16 0.66 -0.75 0.41 0.00 0.00 173.24 173.72 1wfk s LYS 74 N 0.95 3.45 0.10 12.44 2.36 -1.26 -5.01 119.74 132.76 1wfk s LYS 74 Ca -0.06 -0.17 -0.35 0.00 -2.55 0.00 0.00 55.97 52.84 1wfk s LYS 74 Cb -0.07 -3.90 -0.14 0.00 -1.05 0.00 0.00 37.83 32.67 1wfk s LYS 74 CO -0.07 -0.93 1.59 1.87 1.55 0.00 0.00 175.35 179.36 1wfk n TRP 75 N 6.26 2.15 -4.23 4.03 -0.00 -1.26 -4.98 117.44 119.40 1wfk n TRP 75 Ca -0.01 0.30 -0.17 0.00 -0.00 0.00 0.00 57.50 57.62 1wfk n TRP 75 Cb 0.48 -2.52 -0.14 0.00 -0.00 0.00 0.00 31.31 29.13 1wfk n TRP 75 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1wfk s SER 76 N 1.40 0.96 0.29 5.87 0.01 -1.26 -5.14 113.70 115.83 1wfk s SER 76 Ca 0.82 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 57.53 1wfk s SER 76 Cb -0.74 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 65.32 1wfk s SER 76 CO 0.42 0.02 1.24 -2.16 0.41 0.00 0.00 173.24 173.18 1wfk s PRO 77 N -0.60 4.45 1.15 12.44 0.04 -1.26 -5.03 135.00 146.19 1wfk s PRO 77 Ca -0.00 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 1wfk s PRO 77 Cb -0.05 -3.13 0.26 0.00 0.04 0.00 0.00 34.50 31.62 1wfk s PRO 77 CO 0.00 -0.08 1.10 -1.25 0.04 0.00 0.00 177.00 176.81 1wfk s PRO 78 N -1.30 -0.81 0.63 0.56 0.04 -1.26 -5.01 135.00 127.84 1wfk s PRO 78 Ca 0.49 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 1wfk s PRO 78 Cb -0.37 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wfk s PRO 78 CO 0.46 -3.47 1.05 -0.65 0.04 0.00 0.00 177.00 174.42 1wfk s GLN 79 N -5.28 3.28 -1.44 4.56 1.11 -1.26 -3.65 119.66 116.97 1wfk s GLN 79 Ca 0.69 1.02 -0.05 0.00 0.01 0.00 0.00 55.36 57.03 1wfk s GLN 79 Cb -0.12 -2.03 0.03 0.00 -1.01 0.00 0.00 33.01 29.87 1wfk s GLN 79 CO 0.57 -0.83 0.46 0.09 0.01 0.00 0.00 175.29 175.58 1wfk n ASN 80 N -2.50 -5.15 -1.52 5.90 4.13 -1.26 -4.83 115.26 110.03 1wfk n ASN 80 Ca 0.08 -0.25 -0.04 0.00 1.68 0.00 0.00 54.58 56.05 1wfk n ASN 80 Cb 0.53 -4.21 0.01 0.00 -1.54 0.00 0.00 39.78 34.58 1wfk n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfk n TYR 81 N -4.18 0.43 -2.43 3.10 4.11 -1.24 -4.88 117.16 112.06 1wfk n TYR 81 Ca -0.10 -1.15 -0.43 0.00 -0.00 0.00 0.00 57.90 56.23 1wfk n TYR 81 Cb 0.60 -0.57 -0.02 0.00 -0.00 0.00 0.00 39.34 39.35 1wfk n TYR 81 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1wfk s LYS 82 N -0.49 3.97 -0.27 -3.48 2.47 -1.26 -4.98 119.74 115.70 1wfk s LYS 82 Ca 0.08 1.31 -0.08 0.00 -1.56 0.00 0.00 55.97 55.72 1wfk s LYS 82 Cb 0.07 -3.85 0.13 0.00 -1.46 0.00 0.00 37.83 32.71 1wfk s LYS 82 CO 0.00 -1.04 0.56 0.45 0.16 0.00 0.00 175.35 175.49 1wfk s SER 83 N 2.60 -0.86 0.00 1.43 0.15 -1.26 -5.13 113.70 110.63 1wfk s SER 83 Ca 0.55 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1wfk s SER 83 Cb -0.17 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.10 1wfk s SER 83 CO 0.21 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1wfk n GLY 84 N 5.43 0.91 3.70 9.45 0.00 -1.26 -4.56 105.19 118.86 1wfk n GLY 84 Ca -0.09 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1wfk n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfk s PRO 85 N 0.00 0.92 -0.12 1.61 0.04 -1.26 -5.05 135.00 131.14 1wfk s PRO 85 Ca 0.00 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 1wfk s PRO 85 Cb 0.00 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1wfk s PRO 85 CO 0.00 -2.44 -0.09 -1.12 0.04 0.00 0.00 177.00 173.38 1wfk s SER 86 N -3.43 4.37 -0.14 6.66 0.01 -1.26 -5.10 113.70 114.80 1wfk s SER 86 Ca 0.64 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 1wfk s SER 86 Cb -0.18 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.57 1wfk s SER 86 CO 0.57 0.22 -0.06 -0.94 0.41 0.00 0.00 173.24 173.44 1wfk s SER 87 N 0.04 2.48 0.00 2.44 1.04 -1.26 -5.24 113.70 113.19 1wfk s SER 87 Ca -0.03 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1wfk s SER 87 Cb -0.14 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1wfk s SER 87 CO 0.04 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.71