#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 3.93 -0.06 1.61 1.04 -1.26 -5.15 113.70 113.81 1wfk s SER 2 Ca 0.00 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.24 1wfk s SER 2 Cb 0.00 -0.45 0.03 0.00 0.10 0.00 0.00 66.02 65.70 1wfk s SER 2 CO 0.00 -0.12 0.39 -0.44 0.98 0.00 0.00 173.24 174.05 1wfk s SER 3 N -3.62 -0.33 -0.06 7.02 0.01 -1.26 -5.17 113.70 110.29 1wfk s SER 3 Ca 0.32 0.41 -0.31 0.00 1.31 0.00 0.00 55.95 57.68 1wfk s SER 3 Cb -0.01 0.51 0.12 0.00 0.21 0.00 0.00 66.02 66.85 1wfk s SER 3 CO 0.17 -0.37 1.35 -0.83 0.41 0.00 0.00 173.24 173.98 1wfk s GLY 4 N -0.80 -0.33 -0.28 3.44 0.00 -1.26 -5.17 107.32 102.91 1wfk s GLY 4 Ca -0.09 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.96 1wfk s GLY 4 CO 0.04 2.96 0.85 -0.45 0.00 0.00 0.00 173.10 176.50 1wfk s SER 5 N -3.40 -0.69 -0.47 1.64 0.15 -1.26 -5.12 113.70 104.54 1wfk s SER 5 Ca 0.22 1.14 0.04 0.00 0.70 0.00 0.00 55.95 58.05 1wfk s SER 5 Cb 0.03 1.27 0.12 0.00 -1.71 0.00 0.00 66.02 65.74 1wfk s SER 5 CO -0.04 -0.18 0.22 -0.55 1.20 0.00 0.00 173.24 173.89 1wfk s SER 6 N 1.30 4.27 0.45 5.45 0.15 -1.26 -5.09 113.70 118.97 1wfk s SER 6 Ca -0.08 -2.77 0.03 0.00 0.70 0.00 0.00 55.95 53.83 1wfk s SER 6 Cb -0.04 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 1wfk s SER 6 CO -0.15 -0.27 0.06 -0.83 1.20 0.00 0.00 173.24 173.26 1wfk s GLY 7 N 0.07 2.75 -0.21 9.45 0.00 -1.26 -5.17 107.32 112.95 1wfk s GLY 7 Ca 0.16 -1.00 -0.32 0.00 0.00 0.00 0.00 44.72 43.56 1wfk s GLY 7 CO -0.02 -2.00 1.21 -0.29 0.00 0.00 0.00 173.10 172.00 1wfk s MET 8 N -3.79 0.30 1.42 2.90 -2.45 -1.26 -5.17 119.30 111.25 1wfk s MET 8 Ca 0.18 -0.03 -0.24 0.00 -1.25 0.00 0.00 55.69 54.35 1wfk s MET 8 Cb 0.03 0.14 0.37 0.00 1.25 0.00 0.00 34.83 36.61 1wfk s MET 8 CO 0.10 -0.11 0.95 -1.21 1.05 0.00 0.00 175.02 175.80 1wfk s GLU 9 N -1.78 -2.96 -0.40 4.11 8.01 -1.26 -4.70 118.70 119.72 1wfk s GLU 9 Ca 0.07 -0.00 -0.36 0.00 0.01 0.00 0.00 54.97 54.69 1wfk s GLU 9 Cb -0.01 -1.39 -0.16 0.00 -4.31 0.00 0.00 34.13 28.27 1wfk s GLU 9 CO -0.05 -4.87 1.63 0.43 0.01 0.00 0.00 175.26 172.42 1wfk n SER 10 N -5.60 0.69 -4.53 -0.19 7.64 -1.26 -4.83 113.62 105.55 1wfk n SER 10 Ca 0.14 0.64 -0.25 0.00 1.01 0.00 0.00 58.87 60.42 1wfk n SER 10 Cb 0.61 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1wfk n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfk n ARG 11 N 5.43 0.78 -3.23 1.43 1.74 -1.26 -2.73 116.66 118.83 1wfk n ARG 11 Ca 0.40 -3.15 -0.36 0.00 -0.77 0.00 0.00 57.85 53.97 1wfk n ARG 11 Cb -0.04 0.45 -0.06 0.00 -1.02 0.00 0.00 32.46 31.79 1wfk n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n TYR 13 N 0.90 1.60 0.00 0.00 4.19 0.13 -2.08 117.16 121.90 1wfk n TYR 13 Ca -0.05 -1.12 0.00 0.00 3.31 0.00 0.00 57.90 60.04 1wfk n TYR 13 Cb 0.51 -0.59 0.00 0.00 0.49 0.00 0.00 39.34 39.75 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 -0.30 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.69 1wfk n GLY 14 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.82 -0.16 -2.70 0.00 0.00 -0.89 -4.96 120.51 110.98 1wfk n ALA 16 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1wfk n ALA 16 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.32 4.83 0.26 0.00 0.11 -1.26 -4.49 120.40 117.53 1wfk s VAL 17 Ca 0.00 2.02 -0.30 0.00 -2.93 0.00 0.00 61.98 60.78 1wfk s VAL 17 Cb 0.00 -4.31 -0.10 0.00 -1.53 0.00 0.00 36.38 30.44 1wfk s VAL 17 CO 0.00 0.09 1.47 -0.75 -3.33 0.00 0.00 175.10 172.57 1wfk s LYS 18 N 1.50 4.24 -0.02 1.54 2.20 -1.26 -1.85 119.74 126.10 1wfk s LYS 18 Ca 0.50 2.35 -0.29 0.00 -0.36 0.00 0.00 55.97 58.16 1wfk s LYS 18 Cb -0.20 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1wfk s LYS 18 CO 0.23 -0.45 0.96 -0.06 -0.36 0.00 0.00 175.35 175.66 1wfk s PHE 19 N -0.02 3.63 0.32 4.03 0.08 -1.10 -4.75 117.98 120.17 1wfk s PHE 19 Ca 0.60 1.64 -0.07 0.00 0.12 0.00 0.00 56.93 59.22 1wfk s PHE 19 Cb -0.43 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 38.93 1wfk s PHE 19 CO 0.44 -0.03 0.51 0.95 -0.10 0.00 0.00 175.22 176.99 1wfk s THR 20 N 1.11 0.00 0.31 0.64 -4.23 0.12 -4.94 115.64 108.65 1wfk s THR 20 Ca 0.50 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 59.60 1wfk s THR 20 Cb -0.20 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.44 1wfk s THR 20 CO 0.26 0.00 1.47 0.18 -0.54 0.00 0.00 174.62 175.99 1wfk n LEU 21 N -0.51 0.03 -0.04 4.79 4.77 -1.26 -0.72 117.00 124.06 1wfk n LEU 21 Ca -0.01 1.58 -0.10 0.00 -0.03 0.00 0.00 56.01 57.45 1wfk n LEU 21 Cb 0.62 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1wfk n LEU 21 CO 0.28 -1.65 0.31 -0.26 -1.33 0.00 0.00 177.39 174.74 1wfk h PHE 22 N 0.00 -0.04 -2.55 -1.77 -1.00 -1.97 -3.39 116.94 106.22 1wfk h PHE 22 Ca 0.64 -0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.66 1wfk h PHE 22 Cb 1.46 0.01 -0.20 0.00 3.61 0.00 0.00 35.95 40.83 1wfk h PHE 22 CO -0.33 0.59 1.10 0.21 -1.61 0.00 0.00 178.31 178.27 1wfk s LYS 23 N -2.39 4.11 1.21 1.51 2.47 0.10 -5.02 119.74 121.73 1wfk s LYS 23 Ca -0.13 -2.74 -0.18 0.00 -1.56 0.00 0.00 55.97 51.36 1wfk s LYS 23 Cb -0.01 -4.92 0.24 0.00 -1.46 0.00 0.00 37.83 31.67 1wfk s LYS 23 CO 0.48 -1.62 0.53 1.63 0.16 0.00 0.00 175.35 176.53 1wfk n LYS 24 N 4.86 -2.89 -4.86 4.03 5.02 -1.04 0.15 118.16 123.44 1wfk n LYS 24 Ca 0.33 -0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 55.45 1wfk n LYS 24 Cb 0.42 -1.80 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 1wfk n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfk s GLU 25 N -4.08 3.24 0.30 1.97 2.12 -1.26 -4.21 118.70 116.78 1wfk s GLU 25 Ca 0.57 -0.72 0.11 0.00 0.36 0.00 0.00 54.97 55.29 1wfk s GLU 25 Cb -0.13 -2.55 -0.05 0.00 0.26 0.00 0.00 34.13 31.65 1wfk s GLU 25 CO 0.55 0.25 -0.11 0.71 -0.54 0.00 0.00 175.26 176.13 1wfk s TYR 26 N 0.23 2.42 0.05 5.30 1.51 0.21 -4.96 117.35 122.12 1wfk s TYR 26 Ca -0.10 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1wfk s TYR 26 Cb -0.16 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1wfk s TYR 26 CO 0.06 0.64 -0.18 0.20 -1.11 0.00 0.00 175.55 175.15 1wfk s GLY 27 N -3.59 0.99 0.47 0.71 0.00 -1.26 -0.58 107.32 104.06 1wfk s GLY 27 Ca 0.32 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1wfk s GLY 27 CO 0.17 -0.96 0.68 0.00 0.00 0.00 0.00 173.10 172.98 1wfk n LYS 29 N -2.10 0.32 0.00 0.00 4.76 -1.26 -3.97 118.16 115.92 1wfk n LYS 29 Ca 0.04 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wfk n LYS 29 Cb 0.58 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 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 -2.98 0.00 0.02 4.39 5.15 -1.26 -4.14 115.26 116.44 1wfk n ASN 30 Ca -0.24 0.75 -0.13 0.00 -0.60 0.00 0.00 54.58 54.36 1wfk n ASN 30 Cb 0.74 -0.43 -0.02 0.00 -0.53 0.00 0.00 39.78 39.55 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 0.64 0.72 3.60 0.00 0.00 -1.25 -5.06 105.19 103.84 1wfk n GLY 32 Ca -0.06 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.57 1.97 -0.06 1.61 0.52 -1.26 -4.83 118.95 112.33 1wfk s ARG 33 Ca 0.00 -1.90 -0.25 0.00 -0.52 0.00 0.00 55.73 53.07 1wfk s ARG 33 Cb -0.00 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 1wfk s ARG 33 CO 0.01 0.08 0.76 0.00 0.02 0.00 0.00 175.30 176.17 1wfk s ALA 34 N -2.60 3.31 0.06 2.13 0.00 -1.26 -1.61 121.76 121.79 1wfk s ALA 34 Ca 0.34 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1wfk s ALA 34 Cb 0.03 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1wfk s ALA 34 CO 0.18 -0.14 -0.05 -0.06 0.00 0.00 0.00 175.76 175.69 1wfk s PHE 35 N 0.88 0.63 0.14 0.00 0.08 0.26 0.22 117.98 120.18 1wfk s PHE 35 Ca 0.40 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 1wfk s PHE 35 Cb -0.18 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 1wfk s PHE 35 CO 0.20 -0.22 0.49 0.00 -0.10 0.00 0.00 175.22 175.59 1wfk n ASN 37 N 0.62 0.17 -0.18 0.00 6.94 -1.26 0.23 115.26 121.78 1wfk n ASN 37 Ca -0.05 1.19 -0.08 0.00 -0.02 0.00 0.00 54.58 55.62 1wfk n ASN 37 Cb 0.52 -0.58 0.06 0.00 -2.36 0.00 0.00 39.78 37.42 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1wfk h GLY 38 N 0.00 1.08 0.49 4.83 0.00 -1.94 -3.26 103.07 104.27 1wfk h GLY 38 Ca 0.78 -0.79 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 1wfk h GLY 38 CO -0.37 0.72 -1.67 0.00 0.00 0.00 0.00 176.54 175.22 1wfk n LEU 40 N -3.81 8.00 -1.30 0.00 7.94 0.17 -2.77 117.00 125.23 1wfk n LEU 40 Ca -0.30 -4.36 -0.09 0.00 -1.11 0.00 0.00 56.01 50.15 1wfk n LEU 40 Cb 0.93 -1.46 0.13 0.00 0.53 0.00 0.00 43.42 43.55 1wfk n LEU 40 CO 0.38 2.01 0.37 -1.54 -1.11 0.00 0.00 177.39 177.49 1wfk n SER 41 N 2.72 3.29 -4.23 1.96 3.41 -1.23 -4.74 113.62 114.80 1wfk n SER 41 Ca 0.68 -3.83 -0.13 0.00 -0.26 0.00 0.00 58.87 55.33 1wfk n SER 41 Cb 0.34 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 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 1.17 0.01 7.33 0.40 -1.16 -5.03 117.98 117.29 1wfk s PHE 42 Ca 0.45 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1wfk s PHE 42 Cb 0.40 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 1wfk s PHE 42 CO -0.02 -0.09 -0.03 -1.12 0.70 0.00 0.00 175.22 174.65 1wfk s SER 43 N -3.15 0.38 -0.14 1.36 0.01 -1.26 0.57 113.70 111.47 1wfk s SER 43 Ca 0.19 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 1wfk s SER 43 Cb 0.05 0.00 0.10 0.00 0.21 0.00 0.00 66.02 66.39 1wfk s SER 43 CO 0.01 -0.07 0.87 0.00 0.41 0.00 0.00 173.24 174.46 1wfk s ALA 44 N -0.55 -1.87 -0.01 1.44 0.00 -0.58 -4.87 121.76 115.31 1wfk s ALA 44 Ca -0.04 1.54 -0.34 0.00 0.00 0.00 0.00 51.96 53.12 1wfk s ALA 44 Cb -0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 23.12 22.41 1wfk s ALA 44 CO -0.00 -0.33 1.79 1.28 0.00 0.00 0.00 175.76 178.50 1wfk n LEU 45 N 1.02 3.34 -4.49 0.00 4.77 -1.26 -2.36 117.00 118.02 1wfk n LEU 45 Ca -0.14 1.01 -0.35 0.00 -0.03 0.00 0.00 56.01 56.50 1wfk n LEU 45 Cb 0.57 -1.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.16 1wfk n LEU 45 CO 0.17 -0.13 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.10 1wfk s VAL 46 N 3.12 4.12 -2.00 4.08 1.01 -0.15 -4.84 120.40 125.75 1wfk s VAL 46 Ca 0.89 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1wfk s VAL 46 Cb -0.69 -2.85 0.21 0.00 0.00 0.00 0.00 36.38 33.05 1wfk s VAL 46 CO 0.47 0.44 0.89 -0.81 0.00 0.00 0.00 175.10 176.10 1wfk n PRO 47 N 3.98 0.49 -0.05 2.72 -0.04 -1.26 -1.44 135.00 139.40 1wfk n PRO 47 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 1wfk n PRO 47 Cb 0.52 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1wfk n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfk n ARG 48 N -0.73 2.41 -0.85 0.54 1.74 -1.26 -4.54 116.66 113.96 1wfk n ARG 48 Ca 0.05 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 1wfk n ARG 48 Cb 0.03 -1.24 0.13 0.00 -1.02 0.00 0.00 32.46 30.35 1wfk n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n ALA 49 N -2.36 4.64 -2.64 7.54 0.00 -0.98 -4.85 120.51 121.87 1wfk n ALA 49 Ca -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 53.44 51.20 1wfk n ALA 49 Cb 0.80 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.99 1wfk n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfk n GLY 50 N -0.62 0.08 4.02 0.00 0.00 -1.24 -3.71 105.19 103.72 1wfk n GLY 50 Ca 0.41 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1wfk n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wfk n ASN 51 N -1.96 -2.16 -4.25 1.61 6.94 -0.52 -4.96 115.26 109.96 1wfk n ASN 51 Ca -0.13 -1.16 -0.25 0.00 -0.02 0.00 0.00 54.58 53.02 1wfk n ASN 51 Cb 0.58 -2.35 -0.14 0.00 -2.36 0.00 0.00 39.78 35.50 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wfk s THR 52 N -3.84 1.63 -0.74 5.53 -4.23 -1.21 -4.79 115.64 108.01 1wfk s THR 52 Ca 0.25 -1.22 -0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1wfk s THR 52 Cb -0.12 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1wfk s THR 52 CO 0.94 0.16 1.75 -1.58 -0.54 0.00 0.00 174.62 175.35 1wfk s GLN 53 N -1.25 2.78 0.30 3.99 0.74 -1.26 -0.97 119.66 123.99 1wfk s GLN 53 Ca 0.07 0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.67 1wfk s GLN 53 Cb -0.09 -4.59 -0.04 0.00 1.10 0.00 0.00 33.01 29.39 1wfk s GLN 53 CO 0.02 -2.74 0.13 -0.65 -0.55 0.00 0.00 175.29 171.50 1wfk s GLN 54 N 6.64 2.51 -0.27 1.67 -1.52 -0.99 -4.72 119.66 122.99 1wfk s GLN 54 Ca 0.61 -1.37 -0.29 0.00 -1.95 0.00 0.00 55.36 52.36 1wfk s GLN 54 Cb -0.09 -2.29 -0.03 0.00 -0.22 0.00 0.00 33.01 30.38 1wfk s GLN 54 CO 0.12 0.24 1.82 0.15 -0.25 0.00 0.00 175.29 177.37 1wfk s LYS 55 N -3.82 3.47 0.27 2.91 -0.14 -1.26 -1.53 119.74 119.65 1wfk s LYS 55 Ca 0.35 1.64 0.12 0.00 -1.36 0.00 0.00 55.97 56.72 1wfk s LYS 55 Cb -0.05 -4.18 -0.05 0.00 -1.68 0.00 0.00 37.83 31.87 1wfk s LYS 55 CO 0.23 -1.69 -0.20 0.14 -0.76 0.00 0.00 175.35 173.07 1wfk s VAL 56 N 6.50 2.49 0.61 3.17 -7.23 0.19 -4.08 120.40 122.06 1wfk s VAL 56 Ca 0.81 -2.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 1wfk s VAL 56 Cb -0.26 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1wfk s VAL 56 CO 0.33 -0.37 1.09 0.00 -0.31 0.00 0.00 175.10 175.84 1wfk n LYS 58 N -2.08 -0.14 0.00 0.00 3.00 -1.11 -0.67 118.16 117.16 1wfk n LYS 58 Ca 0.10 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1wfk n LYS 58 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.15 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 -3.70 0.00 -0.36 1.64 7.27 -1.26 -1.18 117.38 119.80 1wfk n GLN 59 Ca 0.01 0.76 -0.03 0.00 0.07 0.00 0.00 57.00 57.80 1wfk n GLN 59 Cb 0.08 -1.24 0.01 0.00 2.41 0.00 0.00 30.24 31.51 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 -0.03 0.49 0.10 0.00 -0.00 0.49 0.35 115.15 116.54 1wfk h HIS 61 Ca 0.30 0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.36 1wfk h HIS 61 Cb 0.57 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 1wfk h HIS 61 CO -0.86 -0.05 -1.72 1.15 -0.00 0.00 0.00 177.93 176.45 1wfk h THR 62 N 0.20 0.92 -0.19 6.26 2.02 0.27 -3.17 112.91 119.22 1wfk h THR 62 Ca 0.69 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1wfk h THR 62 Cb 2.11 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 71.13 1wfk h THR 62 CO -0.29 0.78 0.09 0.40 0.37 0.00 0.00 175.52 176.86 1wfk h ILE 63 N 0.06 1.14 -0.23 3.11 2.04 0.33 0.63 117.51 124.60 1wfk h ILE 63 Ca -0.31 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1wfk h ILE 63 Cb 2.03 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1wfk h ILE 63 CO 0.12 0.14 0.06 -0.07 0.00 0.00 0.00 178.15 178.41 1wfk h LEU 64 N 0.18 0.34 -0.85 1.44 3.38 -0.69 -2.13 115.31 116.96 1wfk h LEU 64 Ca 0.07 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1wfk h LEU 64 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1wfk h LEU 64 CO -0.01 0.46 -0.32 0.71 0.09 0.00 0.00 178.44 179.37 1wfk h THR 65 N 0.19 1.28 0.84 0.22 1.35 -1.50 -3.26 112.91 112.03 1wfk h THR 65 Ca 0.07 -1.40 -0.04 0.00 -0.55 0.00 0.00 66.41 64.49 1wfk h THR 65 Cb 0.25 1.46 0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1wfk h THR 65 CO -0.00 0.44 -0.40 0.03 -0.25 0.00 0.00 175.52 175.34 1wfk h ARG 66 N 0.41 -1.09 -6.29 4.72 3.08 0.45 -3.48 114.38 112.19 1wfk h ARG 66 Ca 0.05 0.07 -0.32 0.00 0.07 0.00 0.00 59.98 59.85 1wfk h ARG 66 Cb 0.77 0.25 0.01 0.00 0.08 0.00 0.00 29.97 31.07 1wfk h ARG 66 CO 0.06 -0.72 -0.92 0.41 -1.07 0.00 0.00 179.97 177.73 1wfk n GLY 67 N -1.41 -0.73 3.07 0.04 0.00 -0.82 -4.90 105.19 100.44 1wfk n GLY 67 Ca -0.14 0.90 -0.23 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.24 -2.84 -4.92 1.61 7.64 -1.26 -4.99 113.62 107.63 1wfk n SER 68 Ca -0.13 -0.29 -0.23 0.00 1.01 0.00 0.00 58.87 59.23 1wfk n SER 68 Cb 0.63 -0.79 0.06 0.00 -1.01 0.00 0.00 64.21 63.10 1wfk n SER 68 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfk s SER 69 N -1.86 4.97 -0.45 6.43 0.01 -1.26 -4.98 113.70 116.55 1wfk s SER 69 Ca 0.40 0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 1wfk s SER 69 Cb -0.06 -0.88 0.26 0.00 0.21 0.00 0.00 66.02 65.54 1wfk s SER 69 CO 0.43 -1.42 2.13 -0.90 0.41 0.00 0.00 173.24 173.90 1wfk n ASP 70 N -2.65 6.84 -4.47 2.44 5.75 -1.26 -4.86 116.55 118.34 1wfk n ASP 70 Ca 0.09 -3.30 -0.43 0.00 -0.01 0.00 0.00 54.79 51.13 1wfk n ASP 70 Cb 0.60 -1.06 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 1wfk n ASP 70 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1wfk s ASN 71 N -0.37 6.57 0.23 -1.12 -0.87 -1.26 -4.86 114.94 113.26 1wfk s ASN 71 Ca 0.44 -1.85 -0.08 0.00 -1.57 0.00 0.00 52.86 49.80 1wfk s ASN 71 Cb 0.34 -2.43 0.23 0.00 -0.02 0.00 0.00 41.25 39.36 1wfk s ASN 71 CO -0.05 -1.18 1.88 0.00 -2.57 0.00 0.00 177.10 175.18 1wfk h ALA 72 N 9.08 1.07 -2.35 0.60 0.00 -2.06 -3.43 119.26 122.17 1wfk h ALA 72 Ca 0.13 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.50 1wfk h ALA 72 Cb 1.03 -0.30 0.13 0.00 0.00 0.00 0.00 17.79 18.64 1wfk h ALA 72 CO 1.17 0.39 0.31 -1.12 0.00 0.00 0.00 179.25 180.00 1wfk s SER 73 N -5.88 4.33 -0.19 0.00 0.01 -1.26 -5.03 113.70 105.67 1wfk s SER 73 Ca -0.13 1.56 -0.10 0.00 1.31 0.00 0.00 55.95 58.59 1wfk s SER 73 Cb 0.16 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1wfk s SER 73 CO 0.79 -2.11 0.14 -0.54 0.41 0.00 0.00 173.24 171.93 1wfk s LYS 74 N -5.00 4.11 -0.93 12.44 1.02 -1.26 -5.04 119.74 125.08 1wfk s LYS 74 Ca 0.61 -0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.38 1wfk s LYS 74 Cb -0.16 -3.39 0.23 0.00 -0.52 0.00 0.00 37.83 33.98 1wfk s LYS 74 CO 0.56 0.35 0.84 -0.46 -0.92 0.00 0.00 175.35 175.72 1wfk s TRP 75 N 0.21 3.96 -0.45 3.18 -0.00 -1.26 -5.02 118.94 119.56 1wfk s TRP 75 Ca 0.09 -2.92 -0.16 0.00 -0.00 0.00 0.00 56.10 53.11 1wfk s TRP 75 Cb -0.11 -3.38 0.05 0.00 -0.00 0.00 0.00 33.47 30.02 1wfk s TRP 75 CO -0.01 -0.79 0.38 -1.12 -0.00 0.00 0.00 176.95 175.41 1wfk s SER 76 N 0.26 6.14 1.01 5.86 0.01 -1.26 -5.07 113.70 120.65 1wfk s SER 76 Ca 0.27 -1.09 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 1wfk s SER 76 Cb -0.08 -2.18 0.19 0.00 0.21 0.00 0.00 66.02 64.15 1wfk s SER 76 CO -0.11 -0.58 1.09 -2.16 0.41 0.00 0.00 173.24 171.89 1wfk s PRO 77 N 1.76 0.35 1.18 12.44 0.04 -1.26 -5.05 135.00 144.46 1wfk s PRO 77 Ca 0.06 0.50 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 1wfk s PRO 77 Cb -0.21 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 32.87 1wfk s PRO 77 CO 0.09 -2.78 1.11 -1.25 0.04 0.00 0.00 177.00 174.20 1wfk s PRO 78 N -4.96 -1.04 0.00 0.56 0.04 -1.26 -5.01 135.00 123.33 1wfk s PRO 78 Ca 0.65 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 1wfk s PRO 78 Cb -0.19 -1.61 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1wfk s PRO 78 CO 0.58 -3.60 0.85 1.96 0.04 0.00 0.00 177.00 176.83 1wfk h GLN 79 N -2.50 -0.50 -5.85 4.56 1.08 -2.06 -3.38 115.11 106.46 1wfk h GLN 79 Ca -0.46 0.03 -0.39 0.00 -1.45 0.00 0.00 58.65 56.38 1wfk h GLN 79 Cb 1.30 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.78 1wfk h GLN 79 CO 0.37 -0.33 0.99 -0.80 -0.95 0.00 0.00 178.83 178.10 1wfk s ASN 80 N -3.67 5.59 -0.69 1.46 0.01 -1.26 -4.80 114.94 111.58 1wfk s ASN 80 Ca -0.08 -0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 51.14 1wfk s ASN 80 Cb 0.01 -2.56 0.43 0.00 0.41 0.00 0.00 41.25 39.54 1wfk s ASN 80 CO 0.23 -2.34 2.01 0.00 -1.51 0.00 0.00 177.10 175.49 1wfk n TYR 81 N 12.30 3.18 -4.14 2.20 9.36 -1.26 -4.96 117.16 133.84 1wfk n TYR 81 Ca 0.38 -2.90 -0.35 0.00 3.32 0.00 0.00 57.90 58.35 1wfk n TYR 81 Cb 0.48 -1.38 -0.08 0.00 -0.63 0.00 0.00 39.34 37.74 1wfk n TYR 81 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1wfk s LYS 82 N -3.86 3.14 0.18 2.98 1.02 -1.26 -5.11 119.74 116.83 1wfk s LYS 82 Ca 0.62 -0.36 -0.20 0.00 0.02 0.00 0.00 55.97 56.05 1wfk s LYS 82 Cb 0.49 -2.92 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1wfk s LYS 82 CO -0.08 0.70 0.56 0.45 -0.92 0.00 0.00 175.35 176.06 1wfk s SER 83 N -1.24 -0.36 0.14 2.83 0.15 -1.26 -5.14 113.70 108.81 1wfk s SER 83 Ca 0.17 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1wfk s SER 83 Cb -0.12 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wfk s SER 83 CO 0.07 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1wfk n GLY 84 N -0.35 -1.60 3.56 9.45 0.00 -1.26 -4.61 105.19 110.37 1wfk n GLY 84 Ca -0.12 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 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 2.58 -0.07 1.61 0.04 -1.26 -4.83 135.00 133.07 1wfk s PRO 85 Ca 0.00 -0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.02 1wfk s PRO 85 Cb 0.00 -4.85 0.03 0.00 0.04 0.00 0.00 34.50 29.72 1wfk s PRO 85 CO 0.00 -3.17 2.08 0.43 0.04 0.00 0.00 177.00 176.38 1wfk n SER 86 N 13.57 5.60 -4.54 6.66 7.64 -1.26 -4.81 113.62 136.47 1wfk n SER 86 Ca 0.34 -2.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.24 1wfk n SER 86 Cb 0.49 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 1wfk n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfk s SER 87 N 1.59 6.49 0.00 6.43 1.04 -1.26 -5.19 113.70 122.81 1wfk s SER 87 Ca 0.10 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1wfk s SER 87 Cb 0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wfk s SER 87 CO -0.00 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.38