#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk n SER 2 N 0.00 5.52 -4.61 1.61 7.64 -1.26 -4.85 113.62 117.67 1wfk n SER 2 Ca 0.00 -2.56 -0.38 0.00 1.01 0.00 0.00 58.87 56.94 1wfk n SER 2 Cb 0.00 -1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 61.88 1wfk n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfk s SER 3 N 1.68 6.08 0.00 6.43 0.01 -1.26 -4.94 113.70 121.70 1wfk s SER 3 Ca 0.29 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wfk s SER 3 Cb 0.15 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1wfk s SER 3 CO -0.02 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wfk n GLY 4 N 4.85 0.37 3.48 3.44 0.00 -1.26 -5.09 105.19 110.98 1wfk n GLY 4 Ca -0.13 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 2.00 6.19 0.40 1.61 0.15 -1.26 -5.00 113.70 117.79 1wfk s SER 5 Ca 0.00 -0.89 -0.16 0.00 0.70 0.00 0.00 55.95 55.60 1wfk s SER 5 Cb 0.00 -2.46 -0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1wfk s SER 5 CO 0.00 -1.54 -0.06 -0.24 1.20 0.00 0.00 173.24 172.60 1wfk n SER 6 N 8.14 -2.94 0.00 5.45 2.88 -1.26 -4.83 113.62 121.06 1wfk n SER 6 Ca -0.01 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1wfk n SER 6 Cb 0.47 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wfk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfk n GLY 7 N 2.09 2.38 3.43 0.46 0.00 -1.26 -5.04 105.19 107.26 1wfk n GLY 7 Ca 0.08 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1wfk n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wfk s MET 8 N -0.84 3.91 0.58 1.61 1.00 -1.26 -5.01 119.30 119.29 1wfk s MET 8 Ca 0.00 -2.42 0.06 0.00 0.00 0.00 0.00 55.69 53.33 1wfk s MET 8 Cb 0.00 -4.88 0.08 0.00 0.00 0.00 0.00 34.83 30.03 1wfk s MET 8 CO 0.00 -1.64 0.79 -1.21 0.00 0.00 0.00 175.02 172.97 1wfk s GLU 9 N 1.33 2.28 -0.51 2.03 2.02 -1.26 -4.97 118.70 119.62 1wfk s GLU 9 Ca 0.35 -1.37 -0.32 0.00 0.02 0.00 0.00 54.97 53.65 1wfk s GLU 9 Cb -0.05 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.47 1wfk s GLU 9 CO -0.05 -0.87 2.35 0.43 0.02 0.00 0.00 175.26 177.14 1wfk n SER 10 N -2.31 1.82 -3.91 -0.19 7.64 -1.26 -4.91 113.62 110.50 1wfk n SER 10 Ca 0.13 0.14 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 1wfk n SER 10 Cb 0.61 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.54 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 8.46 0.92 -3.33 1.43 1.74 -1.26 -2.95 116.66 121.68 1wfk n ARG 11 Ca 0.45 -2.29 -0.36 0.00 -0.77 0.00 0.00 57.85 54.89 1wfk n ARG 11 Cb 0.27 0.20 -0.06 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.93 1.62 0.00 0.00 4.19 0.19 -2.09 117.16 122.00 1wfk n TYR 13 Ca -0.06 -1.06 0.00 0.00 3.31 0.00 0.00 57.90 60.09 1wfk n TYR 13 Cb 0.52 -0.57 0.00 0.00 0.49 0.00 0.00 39.34 39.77 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 -0.24 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.75 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 -0.84 -0.24 -2.71 0.00 0.00 -0.89 -4.96 120.51 110.87 1wfk n ALA 16 Ca 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1wfk n ALA 16 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.42 4.96 0.06 0.00 0.11 -1.26 -4.54 120.40 117.31 1wfk s VAL 17 Ca 0.00 1.73 -0.31 0.00 -2.93 0.00 0.00 61.98 60.47 1wfk s VAL 17 Cb 0.00 -4.17 -0.07 0.00 -1.53 0.00 0.00 36.38 30.61 1wfk s VAL 17 CO 0.00 0.21 1.46 -0.75 -3.33 0.00 0.00 175.10 172.69 1wfk s LYS 18 N 0.90 4.27 -0.42 1.54 2.20 -1.26 -1.76 119.74 125.22 1wfk s LYS 18 Ca 0.44 2.10 -0.28 0.00 -0.36 0.00 0.00 55.97 57.87 1wfk s LYS 18 Cb -0.19 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1wfk s LYS 18 CO 0.23 -0.56 1.75 -0.06 -0.36 0.00 0.00 175.35 176.34 1wfk s PHE 19 N 1.93 1.87 0.36 4.03 0.08 -1.15 -4.81 117.98 120.29 1wfk s PHE 19 Ca 0.67 0.67 0.05 0.00 0.12 0.00 0.00 56.93 58.44 1wfk s PHE 19 Cb -0.36 -4.15 -0.07 0.00 -0.57 0.00 0.00 43.02 37.87 1wfk s PHE 19 CO 0.29 -2.62 0.03 0.95 -0.10 0.00 0.00 175.22 173.77 1wfk s THR 20 N 7.18 1.57 0.18 0.64 -4.23 0.17 -4.93 115.64 116.22 1wfk s THR 20 Ca 0.73 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1wfk s THR 20 Cb -0.18 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.02 1wfk s THR 20 CO 0.30 -0.03 1.16 0.18 -0.54 0.00 0.00 174.62 175.70 1wfk n LEU 21 N -0.79 -0.44 -0.18 4.79 4.32 -1.26 0.17 117.00 123.60 1wfk n LEU 21 Ca -0.04 1.30 -0.09 0.00 -0.02 0.00 0.00 56.01 57.16 1wfk n LEU 21 Cb 0.66 -0.32 0.01 0.00 -1.62 0.00 0.00 43.42 42.15 1wfk n LEU 21 CO 0.45 -1.19 0.83 -0.26 -1.22 0.00 0.00 177.39 176.01 1wfk h PHE 22 N 0.00 0.93 -3.32 -1.77 0.04 -1.97 -3.38 116.94 107.47 1wfk h PHE 22 Ca 0.28 -0.15 -0.73 0.00 2.80 0.00 0.00 57.97 60.17 1wfk h PHE 22 Cb 0.47 -0.25 -0.27 0.00 2.20 0.00 0.00 35.95 38.10 1wfk h PHE 22 CO -0.64 0.86 -0.38 0.21 -0.60 0.00 0.00 178.31 177.76 1wfk s LYS 23 N -5.10 2.70 0.74 1.51 2.47 0.44 -5.08 119.74 117.43 1wfk s LYS 23 Ca -0.12 -1.57 -0.11 0.00 -1.56 0.00 0.00 55.97 52.61 1wfk s LYS 23 Cb 0.12 -3.98 0.04 0.00 -1.46 0.00 0.00 37.83 32.55 1wfk s LYS 23 CO 0.82 -1.10 1.08 0.15 0.16 0.00 0.00 175.35 176.45 1wfk s LYS 24 N 1.48 2.54 -0.20 4.03 -0.14 -1.20 0.44 119.74 126.68 1wfk s LYS 24 Ca 0.04 1.02 -0.10 0.00 -1.36 0.00 0.00 55.97 55.57 1wfk s LYS 24 Cb -0.25 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.91 1wfk s LYS 24 CO 0.02 -1.40 0.13 -2.00 -0.76 0.00 0.00 175.35 171.34 1wfk s GLU 25 N -4.99 4.18 0.30 1.68 2.12 -1.26 -3.80 118.70 116.93 1wfk s GLU 25 Ca 0.60 -0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.80 1wfk s GLU 25 Cb -0.15 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 1wfk s GLU 25 CO 0.55 0.29 -0.08 0.71 -0.54 0.00 0.00 175.26 176.19 1wfk s TYR 26 N 0.40 2.46 0.04 5.30 1.51 0.22 -4.94 117.35 122.34 1wfk s TYR 26 Ca 0.08 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1wfk s TYR 26 Cb -0.11 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1wfk s TYR 26 CO -0.02 0.61 -0.14 0.20 -1.11 0.00 0.00 175.55 175.09 1wfk s GLY 27 N -3.62 0.80 0.49 0.71 0.00 -1.26 -0.68 107.32 103.76 1wfk s GLY 27 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1wfk s GLY 27 CO 0.17 -0.80 0.71 0.00 0.00 0.00 0.00 173.10 173.19 1wfk n LYS 29 N -2.19 0.31 0.00 0.00 4.76 -1.26 -4.06 118.16 115.73 1wfk n LYS 29 Ca 0.05 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.59 -1.21 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 -2.97 0.00 -0.02 4.39 5.15 -1.26 -4.10 115.26 116.45 1wfk n ASN 30 Ca -0.23 0.59 -0.07 0.00 -0.60 0.00 0.00 54.58 54.28 1wfk n ASN 30 Cb 0.73 -0.28 0.12 0.00 -0.53 0.00 0.00 39.78 39.81 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 -0.10 0.62 3.64 0.00 0.00 -1.26 -5.07 105.19 103.03 1wfk n GLY 32 Ca -0.01 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.65 2.02 -0.10 1.61 0.52 -1.26 -4.85 118.95 112.23 1wfk s ARG 33 Ca 0.03 -2.02 -0.20 0.00 -0.52 0.00 0.00 55.73 53.02 1wfk s ARG 33 Cb -0.01 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 1wfk s ARG 33 CO 0.06 -0.04 0.57 0.00 0.02 0.00 0.00 175.30 175.91 1wfk s ALA 34 N -2.67 3.43 0.09 2.13 0.00 -1.26 -1.43 121.76 122.06 1wfk s ALA 34 Ca 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1wfk s ALA 34 Cb 0.07 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1wfk s ALA 34 CO 0.19 -0.07 -0.04 -0.06 0.00 0.00 0.00 175.76 175.78 1wfk s PHE 35 N 0.76 0.81 -0.03 0.00 0.08 0.14 0.55 117.98 120.29 1wfk s PHE 35 Ca 0.30 -0.98 -0.11 0.00 0.12 0.00 0.00 56.93 56.26 1wfk s PHE 35 Cb -0.16 -0.49 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 1wfk s PHE 35 CO 0.13 -0.24 0.31 0.00 -0.10 0.00 0.00 175.22 175.33 1wfk n ASN 37 N 1.72 0.14 0.00 0.00 5.15 -1.25 0.23 115.26 121.25 1wfk n ASN 37 Ca -0.15 0.81 -0.12 0.00 -0.60 0.00 0.00 54.58 54.51 1wfk n ASN 37 Cb 0.53 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.07 1.45 8.20 0.00 -1.92 -3.14 103.07 107.72 1wfk h GLY 38 Ca 0.48 -0.04 -0.29 0.00 0.00 0.00 0.00 47.33 47.48 1wfk h GLY 38 CO -0.31 0.04 -1.28 0.00 0.00 0.00 0.00 176.54 174.99 1wfk n LEU 40 N -3.66 7.47 -1.23 0.00 7.94 0.10 -2.59 117.00 125.04 1wfk n LEU 40 Ca -0.12 -4.57 -0.07 0.00 -1.11 0.00 0.00 56.01 50.15 1wfk n LEU 40 Cb 1.02 -1.32 0.17 0.00 0.53 0.00 0.00 43.42 43.82 1wfk n LEU 40 CO 0.56 1.94 0.56 -1.54 -1.11 0.00 0.00 177.39 177.81 1wfk n SER 41 N 1.46 2.92 -4.28 1.96 3.41 -1.19 -4.71 113.62 113.20 1wfk n SER 41 Ca 0.58 -3.82 -0.15 0.00 -0.26 0.00 0.00 58.87 55.21 1wfk n SER 41 Cb 0.36 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.34 1.36 -0.00 7.33 0.40 -1.17 -5.05 117.98 117.51 1wfk s PHE 42 Ca 0.45 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1wfk s PHE 42 Cb 0.40 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 43.21 1wfk s PHE 42 CO -0.02 0.02 -0.00 -1.12 0.70 0.00 0.00 175.22 174.80 1wfk s SER 43 N -3.21 0.07 -0.05 1.36 0.01 -1.26 0.23 113.70 110.84 1wfk s SER 43 Ca 0.21 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 1wfk s SER 43 Cb 0.04 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.31 1wfk s SER 43 CO 0.03 -0.01 0.58 0.00 0.41 0.00 0.00 173.24 174.26 1wfk s ALA 44 N 0.09 -1.51 -0.05 1.44 0.00 -0.71 -4.88 121.76 116.14 1wfk s ALA 44 Ca -0.01 1.10 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 1wfk s ALA 44 Cb -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 1wfk s ALA 44 CO -0.00 -0.34 1.95 1.28 0.00 0.00 0.00 175.76 178.65 1wfk n LEU 45 N 1.12 3.70 -4.52 0.00 4.77 -1.26 -2.52 117.00 118.29 1wfk n LEU 45 Ca -0.19 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.32 1wfk n LEU 45 Cb 0.57 -1.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 1wfk n LEU 45 CO 0.22 0.00 -0.25 -0.69 -1.33 0.00 0.00 177.39 175.35 1wfk s VAL 46 N 4.54 4.65 0.03 4.08 1.01 -0.77 -4.77 120.40 129.18 1wfk s VAL 46 Ca 0.92 -0.06 0.32 0.00 0.00 0.00 0.00 61.98 63.17 1wfk s VAL 46 Cb -0.58 -3.17 0.37 0.00 0.00 0.00 0.00 36.38 33.01 1wfk s VAL 46 CO 0.47 0.35 1.96 1.55 0.00 0.00 0.00 175.10 179.43 1wfk h PRO 47 N 7.89 0.00 -0.10 2.72 0.13 -1.92 0.74 132.00 141.46 1wfk h PRO 47 Ca -0.37 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.58 1wfk h PRO 47 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wfk h PRO 47 CO 0.60 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 177.73 1wfk h ARG 48 N 0.00 0.60 0.03 0.86 3.08 -1.93 -3.28 114.38 113.74 1wfk h ARG 48 Ca 0.00 -0.52 -0.22 0.00 0.07 0.00 0.00 59.98 59.31 1wfk h ARG 48 Cb 0.47 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1wfk h ARG 48 CO 0.00 1.14 -1.03 0.00 -1.07 0.00 0.00 179.97 179.01 1wfk h ALA 49 N 0.47 0.33 0.00 0.04 0.00 -1.86 -3.47 119.26 114.78 1wfk h ALA 49 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1wfk h ALA 49 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wfk h ALA 49 CO 0.13 1.14 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1wfk n GLY 50 N 1.30 0.43 3.45 0.00 0.00 -0.80 -4.86 105.19 104.71 1wfk n GLY 50 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1wfk n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wfk n ASN 51 N 0.00 -2.50 -4.23 1.61 4.13 0.25 -4.96 115.26 109.56 1wfk n ASN 51 Ca 0.00 -0.67 -0.31 0.00 1.68 0.00 0.00 54.58 55.29 1wfk n ASN 51 Cb 0.00 -4.96 -0.17 0.00 -1.54 0.00 0.00 39.78 33.11 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1wfk s THR 52 N -3.41 1.97 -1.01 3.41 -4.23 -1.19 -4.72 115.64 106.46 1wfk s THR 52 Ca 0.06 -1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 59.31 1wfk s THR 52 Cb -0.01 -1.68 -0.22 0.00 1.34 0.00 0.00 72.50 71.93 1wfk s THR 52 CO 0.74 0.54 2.03 1.67 -0.54 0.00 0.00 174.62 179.06 1wfk n GLN 53 N 3.20 0.47 -3.44 3.99 7.27 -1.26 -1.84 117.38 125.77 1wfk n GLN 53 Ca -0.18 -1.82 -0.25 0.00 0.07 0.00 0.00 57.00 54.81 1wfk n GLN 53 Cb 0.52 -3.75 -0.02 0.00 2.41 0.00 0.00 30.24 29.41 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 7.86 3.51 -0.23 3.69 -1.52 -1.05 -4.64 119.66 127.27 1wfk s GLN 54 Ca 0.77 -0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 53.60 1wfk s GLN 54 Cb -0.02 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 1wfk s GLN 54 CO 0.19 0.21 1.86 0.15 -0.25 0.00 0.00 175.29 177.45 1wfk s LYS 55 N -4.02 3.51 0.29 2.91 -0.14 -1.26 -1.73 119.74 119.29 1wfk s LYS 55 Ca 0.40 1.76 0.11 0.00 -1.36 0.00 0.00 55.97 56.88 1wfk s LYS 55 Cb -0.10 -4.19 -0.05 0.00 -1.68 0.00 0.00 37.83 31.81 1wfk s LYS 55 CO 0.34 -1.66 -0.18 0.14 -0.76 0.00 0.00 175.35 173.23 1wfk s VAL 56 N 6.47 2.41 0.62 3.17 -7.23 0.14 -4.03 120.40 121.94 1wfk s VAL 56 Ca 0.83 -2.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 1wfk s VAL 56 Cb -0.28 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1wfk s VAL 56 CO 0.33 -0.37 1.06 0.00 -0.31 0.00 0.00 175.10 175.81 1wfk n LYS 58 N -2.35 -0.14 0.00 0.00 3.00 -1.07 -0.43 118.16 117.17 1wfk n LYS 58 Ca 0.08 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 1wfk n LYS 58 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.10 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 -3.68 0.00 -0.36 1.64 7.27 -1.26 -1.17 117.38 119.81 1wfk n GLN 59 Ca 0.01 0.75 -0.02 0.00 0.07 0.00 0.00 57.00 57.80 1wfk n GLN 59 Cb 0.08 -1.24 0.02 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 -0.02 0.55 0.18 0.00 -0.00 0.53 0.40 115.15 116.78 1wfk h HIS 61 Ca 0.32 0.02 -0.35 0.00 -0.00 0.00 0.00 60.37 60.36 1wfk h HIS 61 Cb 0.58 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1wfk h HIS 61 CO -0.86 -0.06 -1.76 1.15 -0.00 0.00 0.00 177.93 176.40 1wfk h THR 62 N 0.23 0.92 -0.67 6.26 2.02 0.27 -3.22 112.91 118.72 1wfk h THR 62 Ca 0.69 -2.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 1wfk h THR 62 Cb 2.04 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 71.16 1wfk h THR 62 CO -0.33 0.86 0.36 0.40 0.37 0.00 0.00 175.52 177.18 1wfk h ILE 63 N 0.10 1.21 0.00 3.11 2.04 0.25 1.55 117.51 125.77 1wfk h ILE 63 Ca -0.35 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1wfk h ILE 63 Cb 2.09 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1wfk h ILE 63 CO 0.17 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.73 1wfk n LEU 64 N -4.37 0.71 -0.00 1.44 4.77 0.11 -2.76 117.00 116.90 1wfk n LEU 64 Ca 0.07 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1wfk n LEU 64 Cb 0.11 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1wfk n LEU 64 CO 0.38 -0.27 -0.47 0.35 -1.33 0.00 0.00 177.39 176.05 1wfk n THR 65 N -2.19 0.00 0.13 -5.08 -2.24 -0.40 -4.53 114.28 99.96 1wfk n THR 65 Ca 0.05 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1wfk n THR 65 Cb 0.37 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1wfk n THR 65 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfk h ARG 66 N 0.00 0.46 -7.07 -0.78 0.11 0.22 -3.48 114.38 103.85 1wfk h ARG 66 Ca 0.00 -0.79 -0.43 0.00 0.10 0.00 0.00 59.98 58.86 1wfk h ARG 66 Cb 0.50 0.29 -0.03 0.00 1.11 0.00 0.00 29.97 31.85 1wfk h ARG 66 CO 0.00 1.37 -0.72 0.41 0.10 0.00 0.00 179.97 181.14 1wfk n GLY 67 N 1.69 -0.54 0.00 0.08 0.00 -1.11 -4.77 105.19 100.54 1wfk n GLY 67 Ca -0.16 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wfk n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfk n SER 68 N -1.28 1.40 0.01 1.61 3.41 -1.26 -4.86 113.62 112.65 1wfk n SER 68 Ca -0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.34 1wfk n SER 68 Cb 0.40 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1wfk n SER 68 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wfk h SER 69 N 0.00 0.52 -3.33 4.04 0.87 -1.93 -3.44 113.55 110.28 1wfk h SER 69 Ca 0.00 -0.77 -0.65 0.00 -1.23 0.00 0.00 61.79 59.13 1wfk h SER 69 Cb 0.30 -0.16 -0.26 0.00 -0.44 0.00 0.00 62.40 61.84 1wfk h SER 69 CO 0.00 1.23 -0.73 1.51 -0.53 0.00 0.00 176.83 178.31 1wfk s ASP 70 N -6.75 4.27 0.06 6.23 -4.77 -1.26 -5.11 116.67 109.34 1wfk s ASP 70 Ca -0.13 -0.29 -0.20 0.00 -3.30 0.00 0.00 52.55 48.62 1wfk s ASP 70 Cb 0.03 -1.68 -0.06 0.00 -1.09 0.00 0.00 42.92 40.12 1wfk s ASP 70 CO 0.82 0.12 0.60 0.20 0.70 0.00 0.00 175.17 177.61 1wfk s ASN 71 N 0.60 7.07 0.03 2.11 -0.87 -1.26 -4.85 114.94 117.76 1wfk s ASN 71 Ca -0.05 1.27 -0.30 0.00 -1.57 0.00 0.00 52.86 52.20 1wfk s ASN 71 Cb -0.15 -2.37 -0.07 0.00 -0.02 0.00 0.00 41.25 38.63 1wfk s ASN 71 CO 0.03 0.22 1.63 0.00 -2.57 0.00 0.00 177.10 176.40 1wfk s ALA 72 N -0.84 3.65 -0.35 0.60 0.00 -1.26 -4.98 121.76 118.59 1wfk s ALA 72 Ca 0.30 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 53.26 1wfk s ALA 72 Cb -0.19 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1wfk s ALA 72 CO 0.19 -1.17 0.16 0.45 0.00 0.00 0.00 175.76 175.39 1wfk s SER 73 N 2.64 5.52 1.10 0.00 0.15 -1.26 -5.09 113.70 116.76 1wfk s SER 73 Ca 0.73 -0.93 -0.13 0.00 0.70 0.00 0.00 55.95 56.32 1wfk s SER 73 Cb -0.37 -1.96 0.19 0.00 -1.71 0.00 0.00 66.02 62.17 1wfk s SER 73 CO 0.31 -0.32 0.84 0.29 1.20 0.00 0.00 173.24 175.57 1wfk n LYS 74 N 4.93 -1.79 -3.56 5.44 4.76 -1.26 -5.10 118.16 121.58 1wfk n LYS 74 Ca -0.13 -1.33 -0.10 0.00 -2.87 0.00 0.00 58.31 53.88 1wfk n LYS 74 Cb 0.46 -1.07 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 1wfk n LYS 74 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 1wfk s TRP 75 N -2.69 -0.42 -0.05 2.13 -0.00 -1.26 -5.15 118.94 111.49 1wfk s TRP 75 Ca 0.51 0.14 -0.21 0.00 -0.00 0.00 0.00 56.10 56.54 1wfk s TRP 75 Cb -0.03 0.59 -0.04 0.00 -0.00 0.00 0.00 33.47 33.99 1wfk s TRP 75 CO 0.38 -0.96 0.61 0.45 -0.00 0.00 0.00 176.95 177.43 1wfk s SER 76 N -2.80 6.92 0.77 -2.66 0.15 -1.26 -5.06 113.70 109.75 1wfk s SER 76 Ca 0.04 1.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.68 1wfk s SER 76 Cb -0.02 -2.37 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1wfk s SER 76 CO -0.07 -0.01 1.09 -2.16 1.20 0.00 0.00 173.24 173.30 1wfk s PRO 77 N 0.38 2.28 0.76 5.44 0.04 -1.26 -5.02 135.00 137.61 1wfk s PRO 77 Ca 0.32 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1wfk s PRO 77 Cb -0.17 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1wfk s PRO 77 CO 0.16 -1.63 1.09 -1.25 0.04 0.00 0.00 177.00 175.41 1wfk s PRO 78 N -4.86 2.34 0.19 0.56 0.04 -1.26 -4.94 135.00 127.07 1wfk s PRO 78 Ca 0.61 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1wfk s PRO 78 Cb -0.17 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1wfk s PRO 78 CO 0.55 -1.58 1.57 0.37 0.04 0.00 0.00 177.00 177.95 1wfk h GLN 79 N -0.95 -0.14 -5.10 4.56 5.75 -2.08 -3.34 115.11 113.82 1wfk h GLN 79 Ca -0.44 0.01 -0.66 0.00 -0.15 0.00 0.00 58.65 57.41 1wfk h GLN 79 Cb 1.23 0.03 -0.16 0.00 1.07 0.00 0.00 27.48 29.65 1wfk h GLN 79 CO 0.52 -0.09 -0.16 1.21 -2.65 0.00 0.00 178.83 177.66 1wfk s ASN 80 N -5.23 6.25 0.03 -0.69 2.47 -1.26 -5.06 114.94 111.46 1wfk s ASN 80 Ca -0.14 -0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.04 1wfk s ASN 80 Cb 0.15 -2.24 -0.02 0.00 -1.45 0.00 0.00 41.25 37.70 1wfk s ASN 80 CO 0.68 -0.43 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.99 1wfk s TYR 81 N 2.22 1.51 -0.04 0.43 5.04 -1.26 -5.14 117.35 120.11 1wfk s TYR 81 Ca 0.15 -0.34 0.06 0.00 -2.44 0.00 0.00 57.07 54.50 1wfk s TYR 81 Cb -0.16 -0.91 -0.01 0.00 0.35 0.00 0.00 41.96 41.23 1wfk s TYR 81 CO 0.13 0.04 -0.21 0.21 -1.34 0.00 0.00 175.55 174.38 1wfk s LYS 82 N -0.98 2.10 0.06 4.97 2.20 -1.26 -5.14 119.74 121.70 1wfk s LYS 82 Ca 0.05 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1wfk s LYS 82 Cb -0.08 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.37 1wfk s LYS 82 CO 0.01 0.35 -0.12 -1.12 -0.36 0.00 0.00 175.35 174.11 1wfk s SER 83 N -0.17 1.39 -0.24 1.43 0.01 -1.26 -5.15 113.70 109.71 1wfk s SER 83 Ca -0.01 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1wfk s SER 83 Cb -0.12 -0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.26 1wfk s SER 83 CO 0.02 -0.12 1.25 -0.83 0.41 0.00 0.00 173.24 173.96 1wfk s GLY 84 N -1.69 -0.06 0.02 3.44 0.00 -1.26 -5.14 107.32 102.63 1wfk s GLY 84 Ca -0.05 2.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.80 1wfk s GLY 84 CO 0.02 0.99 1.43 2.56 0.00 0.00 0.00 173.10 178.10 1wfk s PRO 85 N -1.27 4.28 0.10 2.90 0.04 -1.26 -5.01 135.00 134.78 1wfk s PRO 85 Ca 0.06 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1wfk s PRO 85 Cb -0.01 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 31.02 1wfk s PRO 85 CO -0.05 -0.58 0.37 -1.12 0.04 0.00 0.00 177.00 175.66 1wfk s SER 86 N 1.87 -0.20 0.37 6.66 0.01 -1.26 -5.14 113.70 116.01 1wfk s SER 86 Ca 0.65 -0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.36 1wfk s SER 86 Cb -0.33 0.44 -0.11 0.00 0.21 0.00 0.00 66.02 66.23 1wfk s SER 86 CO 0.28 -0.78 1.49 -0.94 0.41 0.00 0.00 173.24 173.70 1wfk s SER 87 N -2.56 6.35 0.00 2.44 1.04 -1.26 -5.34 113.70 114.38 1wfk s SER 87 Ca 0.01 3.04 0.00 0.00 0.48 0.00 0.00 55.95 59.47 1wfk s SER 87 Cb 0.01 -2.67 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wfk s SER 87 CO -0.09 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.87