#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 5.85 -0.03 1.61 0.15 -1.26 -5.10 113.70 114.92 1wfk s SER 2 Ca 0.00 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 1wfk s SER 2 Cb 0.00 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1wfk s SER 2 CO 0.00 0.31 0.49 -0.44 1.20 0.00 0.00 173.24 174.80 1wfk s SER 3 N -1.49 6.83 1.93 5.45 0.01 -1.26 -4.87 113.70 120.29 1wfk s SER 3 Ca 0.20 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1wfk s SER 3 Cb -0.12 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wfk s SER 3 CO 0.11 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1wfk n GLY 4 N 2.45 2.42 3.54 3.44 0.00 -1.26 -4.75 105.19 111.04 1wfk n GLY 4 Ca -0.10 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1wfk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfk n SER 5 N 10.79 -0.63 -4.16 1.61 3.41 -1.26 -5.04 113.62 118.35 1wfk n SER 5 Ca 0.00 0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1wfk n SER 5 Cb 0.00 -1.33 -0.10 0.00 -0.26 0.00 0.00 64.21 62.52 1wfk n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfk s SER 6 N -1.97 0.22 -0.10 4.04 0.15 -1.26 -4.87 113.70 109.90 1wfk s SER 6 Ca 0.65 -1.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 1wfk s SER 6 Cb -0.27 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1wfk s SER 6 CO 0.59 -0.80 -0.02 -0.83 1.20 0.00 0.00 173.24 173.38 1wfk s GLY 7 N -3.09 0.65 -0.78 9.45 0.00 -1.26 -5.08 107.32 107.21 1wfk s GLY 7 Ca 0.30 -0.37 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 1wfk s GLY 7 CO 0.06 1.05 1.96 -0.29 0.00 0.00 0.00 173.10 175.89 1wfk s MET 8 N 1.85 2.50 0.38 2.90 -2.45 -1.26 -4.95 119.30 118.27 1wfk s MET 8 Ca 0.04 0.12 -0.05 0.00 -1.25 0.00 0.00 55.69 54.55 1wfk s MET 8 Cb -0.13 -4.80 0.09 0.00 1.25 0.00 0.00 34.83 31.23 1wfk s MET 8 CO -0.07 -3.23 0.51 0.39 1.05 0.00 0.00 175.02 173.68 1wfk n GLU 9 N 8.97 -0.37 -1.58 4.11 -0.58 -1.26 -4.92 120.64 125.02 1wfk n GLU 9 Ca 0.34 -0.88 -0.44 0.00 -0.42 0.00 0.00 57.16 55.76 1wfk n GLU 9 Cb 0.49 -0.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.82 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfk n SER 10 N -3.28 3.05 -3.73 1.62 7.64 -1.26 -4.93 113.62 112.73 1wfk n SER 10 Ca 0.07 0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.90 1wfk n SER 10 Cb 0.24 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.86 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 8.71 0.87 -3.35 1.43 1.74 -1.26 -2.60 116.66 122.20 1wfk n ARG 11 Ca 0.32 -2.78 -0.33 0.00 -0.77 0.00 0.00 57.85 54.28 1wfk n ARG 11 Cb 0.42 1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 32.90 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 0.24 1.93 0.00 0.00 4.19 0.15 -2.39 117.16 121.28 1wfk n TYR 13 Ca -0.02 -1.20 0.00 0.00 3.31 0.00 0.00 57.90 59.99 1wfk n TYR 13 Cb 0.52 -0.64 0.00 0.00 0.49 0.00 0.00 39.34 39.71 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 -0.37 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.62 1wfk n GLY 14 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.05 -0.14 -2.01 0.00 0.00 -1.01 -4.97 120.51 111.34 1wfk n ALA 16 Ca 0.00 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 1wfk n ALA 16 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.27 4.41 0.21 0.00 0.11 -1.26 -4.52 120.40 117.08 1wfk s VAL 17 Ca 0.00 1.61 -0.28 0.00 -2.93 0.00 0.00 61.98 60.38 1wfk s VAL 17 Cb 0.00 -4.07 -0.09 0.00 -1.53 0.00 0.00 36.38 30.69 1wfk s VAL 17 CO 0.00 0.45 0.89 -0.75 -3.33 0.00 0.00 175.10 172.36 1wfk s LYS 18 N -1.34 4.76 -0.08 1.54 2.36 -1.26 0.34 119.74 126.07 1wfk s LYS 18 Ca 0.37 1.38 -0.25 0.00 -2.55 0.00 0.00 55.97 54.93 1wfk s LYS 18 Cb -0.22 -3.28 -0.03 0.00 -1.05 0.00 0.00 37.83 33.25 1wfk s LYS 18 CO 0.25 0.52 0.76 -0.06 1.55 0.00 0.00 175.35 178.38 1wfk s PHE 19 N -1.12 3.56 0.26 4.03 0.08 -1.07 -4.84 117.98 118.87 1wfk s PHE 19 Ca 0.39 1.31 -0.00 0.00 0.12 0.00 0.00 56.93 58.75 1wfk s PHE 19 Cb -0.25 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1wfk s PHE 19 CO 0.30 0.01 0.25 0.95 -0.10 0.00 0.00 175.22 176.63 1wfk s THR 20 N 1.10 0.00 0.34 0.64 -4.23 0.18 -4.95 115.64 108.72 1wfk s THR 20 Ca 0.40 -1.89 0.13 0.00 -1.18 0.00 0.00 61.69 59.15 1wfk s THR 20 Cb -0.18 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1wfk s THR 20 CO 0.18 0.00 1.60 -0.07 -0.54 0.00 0.00 174.62 175.80 1wfk h LEU 21 N 2.38 0.13 0.07 4.79 4.07 -2.00 0.45 115.31 125.20 1wfk h LEU 21 Ca -0.31 0.24 -0.24 0.00 0.08 0.00 0.00 57.88 57.66 1wfk h LEU 21 Cb 1.24 0.30 0.02 0.00 1.08 0.00 0.00 40.66 43.30 1wfk h LEU 21 CO 0.44 -0.33 -0.98 -0.26 -1.08 0.00 0.00 178.44 176.24 1wfk h PHE 22 N 0.09 0.85 -3.23 1.13 -1.00 -1.98 -3.41 116.94 109.39 1wfk h PHE 22 Ca 0.73 -0.51 -0.74 0.00 2.81 0.00 0.00 57.97 60.25 1wfk h PHE 22 Cb 1.76 -0.08 -0.27 0.00 3.61 0.00 0.00 35.95 40.97 1wfk h PHE 22 CO -0.16 1.36 -0.30 0.21 -1.61 0.00 0.00 178.31 177.81 1wfk s LYS 23 N -3.03 2.74 0.80 1.51 2.47 0.16 -5.07 119.74 119.31 1wfk s LYS 23 Ca -0.11 -1.78 -0.10 0.00 -1.56 0.00 0.00 55.97 52.41 1wfk s LYS 23 Cb 0.05 -4.10 0.07 0.00 -1.46 0.00 0.00 37.83 32.38 1wfk s LYS 23 CO 0.89 -1.26 1.10 0.15 0.16 0.00 0.00 175.35 176.39 1wfk s LYS 24 N 1.40 2.06 -0.15 4.03 -0.14 -1.21 0.50 119.74 126.23 1wfk s LYS 24 Ca 0.05 1.20 -0.06 0.00 -1.36 0.00 0.00 55.97 55.80 1wfk s LYS 24 Cb -0.27 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 1wfk s LYS 24 CO 0.01 -1.79 0.04 -2.00 -0.76 0.00 0.00 175.35 170.84 1wfk s GLU 25 N -4.87 3.65 0.28 1.68 -6.30 -1.26 -4.07 118.70 107.81 1wfk s GLU 25 Ca 0.62 -0.36 0.10 0.00 -2.50 0.00 0.00 54.97 52.83 1wfk s GLU 25 Cb -0.18 -3.07 -0.05 0.00 0.00 0.00 0.00 34.13 30.84 1wfk s GLU 25 CO 0.56 0.42 -0.04 0.71 0.02 0.00 0.00 175.26 176.93 1wfk s TYR 26 N -0.07 2.57 0.05 5.30 1.51 0.22 -4.95 117.35 121.98 1wfk s TYR 26 Ca 0.06 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1wfk s TYR 26 Cb -0.12 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1wfk s TYR 26 CO 0.01 0.61 -0.17 0.20 -1.11 0.00 0.00 175.55 175.09 1wfk s GLY 27 N -3.65 0.95 0.47 0.71 0.00 -1.26 -0.57 107.32 103.96 1wfk s GLY 27 Ca 0.32 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1wfk s GLY 27 CO 0.19 -0.91 0.68 0.00 0.00 0.00 0.00 173.10 173.05 1wfk n LYS 29 N -2.11 0.35 0.00 0.00 4.76 -1.26 -3.99 118.16 115.92 1wfk n LYS 29 Ca 0.03 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wfk n LYS 29 Cb 0.58 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 -3.03 0.00 0.02 4.39 5.15 -1.26 -4.10 115.26 116.43 1wfk n ASN 30 Ca -0.26 0.60 -0.07 0.00 -0.60 0.00 0.00 54.58 54.25 1wfk n ASN 30 Cb 0.76 -0.27 0.12 0.00 -0.53 0.00 0.00 39.78 39.85 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 0.04 0.55 3.67 0.00 0.00 -1.26 -5.06 105.19 103.12 1wfk n GLY 32 Ca -0.02 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.66 2.07 -0.12 1.61 0.52 -1.26 -4.84 118.95 112.26 1wfk s ARG 33 Ca 0.04 -2.03 -0.20 0.00 -0.52 0.00 0.00 55.73 53.02 1wfk s ARG 33 Cb -0.02 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 1wfk s ARG 33 CO 0.09 -0.09 0.57 0.00 0.02 0.00 0.00 175.30 175.89 1wfk s ALA 34 N -2.68 3.45 0.08 2.13 0.00 -1.26 -1.42 121.76 122.06 1wfk s ALA 34 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1wfk s ALA 34 Cb 0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1wfk s ALA 34 CO 0.19 -0.15 -0.06 -0.06 0.00 0.00 0.00 175.76 175.68 1wfk s PHE 35 N 0.95 0.79 0.02 0.00 0.08 0.26 0.33 117.98 120.41 1wfk s PHE 35 Ca 0.29 -0.88 -0.13 0.00 0.12 0.00 0.00 56.93 56.33 1wfk s PHE 35 Cb -0.16 -0.47 -0.06 0.00 -0.57 0.00 0.00 43.02 41.76 1wfk s PHE 35 CO 0.12 -0.18 0.39 0.00 -0.10 0.00 0.00 175.22 175.46 1wfk n ASN 37 N 1.56 0.15 0.02 0.00 2.85 -1.26 0.22 115.26 118.79 1wfk n ASN 37 Ca -0.13 0.85 -0.12 0.00 -0.11 0.00 0.00 54.58 55.07 1wfk n ASN 37 Cb 0.52 -0.41 -0.08 0.00 1.24 0.00 0.00 39.78 41.05 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1wfk h GLY 38 N 0.00 0.01 1.30 8.20 0.00 -1.93 -3.21 103.07 107.44 1wfk h GLY 38 Ca 0.50 -0.01 -0.30 0.00 0.00 0.00 0.00 47.33 47.53 1wfk h GLY 38 CO -0.32 0.00 -1.27 0.00 0.00 0.00 0.00 176.54 174.96 1wfk n LEU 40 N -3.75 8.13 -1.16 0.00 7.94 0.97 -2.56 117.00 126.58 1wfk n LEU 40 Ca -0.13 -4.71 -0.06 0.00 -1.11 0.00 0.00 56.01 50.00 1wfk n LEU 40 Cb 1.00 -1.40 0.14 0.00 0.53 0.00 0.00 43.42 43.68 1wfk n LEU 40 CO 0.58 2.05 0.30 -1.54 -1.11 0.00 0.00 177.39 177.67 1wfk n SER 41 N 2.14 2.97 -4.20 1.96 3.41 -1.21 -4.70 113.62 113.98 1wfk n SER 41 Ca 0.66 -3.85 -0.12 0.00 -0.26 0.00 0.00 58.87 55.30 1wfk n SER 41 Cb 0.26 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.38 1.06 -0.01 7.33 0.40 -1.15 -5.04 117.98 117.20 1wfk s PHE 42 Ca 0.43 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1wfk s PHE 42 Cb 0.39 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.34 1wfk s PHE 42 CO -0.03 -0.04 -0.04 -1.12 0.70 0.00 0.00 175.22 174.70 1wfk s SER 43 N -3.04 0.51 -0.08 1.36 0.01 -1.26 0.80 113.70 112.00 1wfk s SER 43 Ca 0.13 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.05 1wfk s SER 43 Cb 0.03 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.22 1wfk s SER 43 CO -0.02 0.03 0.63 0.00 0.41 0.00 0.00 173.24 174.28 1wfk s ALA 44 N 0.11 -1.61 -0.07 1.44 0.00 -0.75 -4.89 121.76 115.98 1wfk s ALA 44 Ca -0.01 1.30 -0.35 0.00 0.00 0.00 0.00 51.96 52.90 1wfk s ALA 44 Cb -0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 23.12 22.75 1wfk s ALA 44 CO -0.00 -0.34 1.83 1.28 0.00 0.00 0.00 175.76 178.53 1wfk n LEU 45 N 1.31 3.32 -4.46 0.00 4.77 -1.26 -2.68 117.00 118.01 1wfk n LEU 45 Ca -0.18 0.99 -0.36 0.00 -0.03 0.00 0.00 56.01 56.43 1wfk n LEU 45 Cb 0.57 -1.36 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1wfk n LEU 45 CO 0.20 -0.11 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.16 1wfk s VAL 46 N 3.65 4.22 -0.14 4.08 1.01 -0.73 -4.77 120.40 127.73 1wfk s VAL 46 Ca 0.91 -0.21 0.30 0.00 0.00 0.00 0.00 61.98 62.98 1wfk s VAL 46 Cb -0.72 -2.95 0.33 0.00 0.00 0.00 0.00 36.38 33.04 1wfk s VAL 46 CO 0.51 0.37 1.87 1.55 0.00 0.00 0.00 175.10 179.41 1wfk h PRO 47 N 7.93 0.00 -0.01 2.72 0.13 -1.92 0.74 132.00 141.59 1wfk h PRO 47 Ca -0.38 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.50 1wfk h PRO 47 Cb 1.17 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 -1.00 0.00 -0.23 0.00 0.00 178.00 177.37 1wfk h ARG 48 N 0.00 0.61 0.01 0.86 3.08 -1.93 -3.30 114.38 113.71 1wfk h ARG 48 Ca 0.00 -0.65 -0.25 0.00 0.07 0.00 0.00 59.98 59.16 1wfk h ARG 48 Cb 0.43 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1wfk h ARG 48 CO 0.00 1.25 -1.31 0.00 -1.07 0.00 0.00 179.97 178.84 1wfk h ALA 49 N 0.53 0.51 0.00 0.04 0.00 -1.83 -3.48 119.26 115.03 1wfk h ALA 49 Ca -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1wfk h ALA 49 Cb 1.64 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1wfk h ALA 49 CO 0.19 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.22 1wfk n GLY 50 N 1.45 0.43 3.49 0.00 0.00 -0.72 -4.86 105.19 104.97 1wfk n GLY 50 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.11 -4.25 1.61 4.13 0.25 -4.96 115.26 109.93 1wfk n ASN 51 Ca 0.00 -0.68 -0.31 0.00 1.68 0.00 0.00 54.58 55.27 1wfk n ASN 51 Cb 0.00 -4.87 -0.17 0.00 -1.54 0.00 0.00 39.78 33.21 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 -3.44 2.02 -1.08 3.41 -4.23 -1.19 -4.71 115.64 106.43 1wfk s THR 52 Ca 0.03 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 1wfk s THR 52 Cb -0.00 -1.73 -0.17 0.00 1.34 0.00 0.00 72.50 71.93 1wfk s THR 52 CO 0.75 0.56 2.08 -1.58 -0.54 0.00 0.00 174.62 175.89 1wfk s GLN 53 N 0.01 1.62 0.24 3.99 0.74 -1.26 -1.77 119.66 123.23 1wfk s GLN 53 Ca -0.09 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.78 1wfk s GLN 53 Cb -0.15 -5.04 -0.03 0.00 1.10 0.00 0.00 33.01 28.88 1wfk s GLN 53 CO 0.05 -4.94 0.40 -0.65 -0.55 0.00 0.00 175.29 169.60 1wfk s GLN 54 N 7.88 3.47 -0.27 1.67 -1.52 -1.09 -4.65 119.66 125.14 1wfk s GLN 54 Ca 0.78 -0.56 -0.28 0.00 -1.95 0.00 0.00 55.36 53.35 1wfk s GLN 54 Cb -0.04 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 1wfk s GLN 54 CO 0.15 0.38 1.93 0.15 -0.25 0.00 0.00 175.29 177.65 1wfk s LYS 55 N -3.81 3.32 0.31 2.91 -0.14 -1.26 -1.81 119.74 119.26 1wfk s LYS 55 Ca 0.36 1.67 0.10 0.00 -1.36 0.00 0.00 55.97 56.75 1wfk s LYS 55 Cb -0.10 -4.24 -0.05 0.00 -1.68 0.00 0.00 37.83 31.76 1wfk s LYS 55 CO 0.30 -1.87 -0.10 0.14 -0.76 0.00 0.00 175.35 173.06 1wfk s VAL 56 N 7.16 2.54 0.58 3.17 -7.23 0.24 -4.05 120.40 122.81 1wfk s VAL 56 Ca 0.86 -2.21 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1wfk s VAL 56 Cb -0.27 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wfk s VAL 56 CO 0.34 -0.30 1.05 0.00 -0.31 0.00 0.00 175.10 175.88 1wfk n LYS 58 N -1.97 -0.14 0.00 0.00 3.00 -1.06 -0.52 118.16 117.47 1wfk n LYS 58 Ca 0.08 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.34 1wfk n LYS 58 Cb 0.53 -1.41 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 -3.68 0.00 -0.34 1.64 7.27 -1.26 -1.08 117.38 119.93 1wfk n GLN 59 Ca 0.01 0.79 -0.05 0.00 0.07 0.00 0.00 57.00 57.82 1wfk n GLN 59 Cb 0.08 -1.28 -0.00 0.00 2.41 0.00 0.00 30.24 31.45 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 -0.06 0.28 0.13 0.00 -0.00 0.45 0.37 115.15 116.32 1wfk h HIS 61 Ca 0.27 0.01 -0.31 0.00 -0.00 0.00 0.00 60.37 60.34 1wfk h HIS 61 Cb 0.55 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1wfk h HIS 61 CO -0.85 -0.02 -1.62 1.15 -0.00 0.00 0.00 177.93 176.59 1wfk h THR 62 N 0.13 0.91 -0.95 6.26 2.02 0.29 -3.23 112.91 118.34 1wfk h THR 62 Ca 0.67 -2.40 0.01 0.00 0.77 0.00 0.00 66.41 65.45 1wfk h THR 62 Cb 2.29 2.65 -0.05 0.00 -1.74 0.00 0.00 68.15 71.30 1wfk h THR 62 CO -0.17 0.76 0.63 0.40 0.37 0.00 0.00 175.52 177.52 1wfk h ILE 63 N -0.16 1.24 0.00 3.11 2.04 0.22 1.48 117.51 125.44 1wfk h ILE 63 Ca -0.34 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1wfk h ILE 63 Cb 1.88 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1wfk h ILE 63 CO 0.08 0.23 -0.02 -0.07 0.00 0.00 0.00 178.15 178.37 1wfk h LEU 64 N 1.29 0.00 0.00 1.44 3.38 -0.56 -2.26 115.31 118.59 1wfk h LEU 64 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wfk h LEU 64 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1wfk h LEU 64 CO -0.08 0.02 -1.55 0.35 0.09 0.00 0.00 178.44 177.27 1wfk n THR 65 N -3.12 0.00 0.09 0.22 -2.24 -0.44 -4.42 114.28 104.38 1wfk n THR 65 Ca 0.01 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1wfk n THR 65 Cb 0.36 0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.40 -6.85 -0.78 0.11 0.22 -3.49 114.38 104.00 1wfk h ARG 66 Ca 0.00 -0.69 -0.52 0.00 0.10 0.00 0.00 59.98 58.87 1wfk h ARG 66 Cb 0.74 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1wfk h ARG 66 CO 0.00 1.31 -0.99 0.41 0.10 0.00 0.00 179.97 180.80 1wfk n GLY 67 N 1.77 -0.98 3.96 0.08 0.00 -0.87 -4.94 105.19 104.20 1wfk n GLY 67 Ca -0.20 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1wfk n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfk s SER 68 N -3.31 5.61 -0.34 1.61 0.15 -1.26 -5.01 113.70 111.15 1wfk s SER 68 Ca 0.25 -0.41 -0.42 0.00 0.70 0.00 0.00 55.95 56.07 1wfk s SER 68 Cb -0.14 -0.88 -0.17 0.00 -1.71 0.00 0.00 66.02 63.12 1wfk s SER 68 CO 0.88 -0.58 1.67 -1.20 1.20 0.00 0.00 173.24 175.21 1wfk n SER 69 N -1.66 1.91 -3.86 5.45 7.64 -1.26 -4.92 113.62 116.92 1wfk n SER 69 Ca 0.03 1.12 -0.09 0.00 1.01 0.00 0.00 58.87 60.94 1wfk n SER 69 Cb 0.59 -1.05 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1wfk n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfk s ASP 70 N 3.22 -0.19 0.05 6.43 2.15 -1.26 -5.12 116.67 121.95 1wfk s ASP 70 Ca 1.00 -0.68 -0.37 0.00 0.43 0.00 0.00 52.55 52.93 1wfk s ASP 70 Cb -1.22 0.61 -0.19 0.00 -0.30 0.00 0.00 42.92 41.81 1wfk s ASP 70 CO 0.71 -1.14 0.98 -3.20 -0.17 0.00 0.00 175.17 172.36 1wfk n ASN 71 N -0.37 -0.11 -4.50 -0.34 2.85 -1.26 -4.94 115.26 106.60 1wfk n ASN 71 Ca -0.06 1.15 -0.34 0.00 -0.11 0.00 0.00 54.58 55.23 1wfk n ASN 71 Cb 0.62 -0.95 -0.12 0.00 1.24 0.00 0.00 39.78 40.56 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfk s ALA 72 N -0.17 2.95 -0.13 5.20 0.00 -1.26 -5.10 121.76 123.24 1wfk s ALA 72 Ca 0.85 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 1wfk s ALA 72 Cb -1.17 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 20.55 1wfk s ALA 72 CO 0.56 0.30 0.49 -1.54 0.00 0.00 0.00 175.76 175.57 1wfk s SER 73 N 0.11 -0.48 -0.02 0.00 1.04 -1.26 -5.13 113.70 107.96 1wfk s SER 73 Ca -0.02 0.78 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 1wfk s SER 73 Cb -0.14 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.73 1wfk s SER 73 CO 0.03 -0.30 1.45 -0.75 0.98 0.00 0.00 173.24 174.64 1wfk s LYS 74 N -0.30 4.26 -0.06 4.02 2.20 -1.26 -5.00 119.74 123.59 1wfk s LYS 74 Ca -0.05 2.00 -0.02 0.00 -0.36 0.00 0.00 55.97 57.54 1wfk s LYS 74 Cb -0.03 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1wfk s LYS 74 CO 0.03 -0.64 0.04 -0.46 -0.36 0.00 0.00 175.35 173.95 1wfk s TRP 75 N 2.78 0.34 0.15 4.03 -0.00 -1.26 -5.15 118.94 119.83 1wfk s TRP 75 Ca 0.65 0.05 0.05 0.00 -0.00 0.00 0.00 56.10 56.85 1wfk s TRP 75 Cb -0.31 -0.63 -0.04 0.00 -0.00 0.00 0.00 33.47 32.49 1wfk s TRP 75 CO 0.26 -0.26 0.11 -1.54 -0.00 0.00 0.00 176.95 175.52 1wfk s SER 76 N 2.08 5.45 0.22 5.86 1.04 -1.26 -5.09 113.70 121.99 1wfk s SER 76 Ca 0.05 -0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 1wfk s SER 76 Cb -0.12 -1.41 -0.09 0.00 0.10 0.00 0.00 66.02 64.50 1wfk s SER 76 CO -0.04 0.09 1.29 -2.16 0.98 0.00 0.00 173.24 173.40 1wfk s PRO 77 N -2.99 4.40 1.23 4.02 0.04 -1.26 -5.03 135.00 135.42 1wfk s PRO 77 Ca 0.30 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1wfk s PRO 77 Cb -0.10 -3.18 0.30 0.00 0.04 0.00 0.00 34.50 31.55 1wfk s PRO 77 CO 0.23 -0.21 1.11 -1.25 0.04 0.00 0.00 177.00 176.92 1wfk s PRO 78 N -0.36 -1.43 0.02 0.56 0.04 -1.26 -4.99 135.00 127.57 1wfk s PRO 78 Ca 0.55 -0.14 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 1wfk s PRO 78 Cb -0.36 -1.58 -0.25 0.00 0.04 0.00 0.00 34.50 32.35 1wfk s PRO 78 CO 0.40 -3.84 1.10 1.96 0.04 0.00 0.00 177.00 176.66 1wfk h GLN 79 N -2.67 0.48 -0.73 4.56 4.20 -2.01 -3.33 115.11 115.61 1wfk h GLN 79 Ca -0.43 -0.55 0.09 0.00 0.06 0.00 0.00 58.65 57.81 1wfk h GLN 79 Cb 1.29 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 29.13 1wfk h GLN 79 CO 0.31 1.19 -0.35 -1.71 -0.67 0.00 0.00 178.83 177.60 1wfk n ASN 80 N -4.09 -0.61 -3.30 1.46 2.85 -1.26 -4.53 115.26 105.78 1wfk n ASN 80 Ca -0.11 1.28 -0.32 0.00 -0.11 0.00 0.00 54.58 55.32 1wfk n ASN 80 Cb 0.76 -0.23 -0.00 0.00 1.24 0.00 0.00 39.78 41.55 1wfk n ASN 80 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfk n TYR 81 N -5.00 -1.63 -1.71 1.20 9.36 -1.25 -4.74 117.16 113.39 1wfk n TYR 81 Ca 0.05 0.48 -0.43 0.00 3.32 0.00 0.00 57.90 61.31 1wfk n TYR 81 Cb 0.24 -1.36 -0.02 0.00 -0.63 0.00 0.00 39.34 37.57 1wfk n TYR 81 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1wfk n LYS 82 N 1.03 2.48 -3.74 2.98 4.01 -1.26 -4.96 118.16 118.69 1wfk n LYS 82 Ca 0.09 0.89 0.00 0.00 -0.51 0.00 0.00 58.31 58.77 1wfk n LYS 82 Cb 0.31 -2.65 -0.00 0.00 -0.51 0.00 0.00 35.03 32.18 1wfk n LYS 82 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1wfk s SER 83 N 0.63 -0.06 0.00 4.39 0.01 -1.26 -5.16 113.70 112.25 1wfk s SER 83 Ca 0.69 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1wfk s SER 83 Cb -0.56 0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1wfk s SER 83 CO 0.44 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wfk n GLY 84 N -0.58 -0.39 3.57 3.44 0.00 -1.26 -5.15 105.19 104.82 1wfk n GLY 84 Ca -0.05 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 -1.64 -0.58 1.61 0.04 -1.26 -4.48 135.00 126.70 1wfk s PRO 85 Ca 0.00 -0.21 -0.03 0.00 0.04 0.00 0.00 61.00 60.80 1wfk s PRO 85 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1wfk s PRO 85 CO 0.00 -3.96 0.50 0.45 0.04 0.00 0.00 177.00 174.03 1wfk n SER 86 N -4.91 -3.49 -4.88 6.66 2.88 -1.26 -5.03 113.62 103.60 1wfk n SER 86 Ca 0.15 -0.24 -0.34 0.00 -1.33 0.00 0.00 58.87 57.11 1wfk n SER 86 Cb 0.60 -2.50 -0.05 0.00 -0.75 0.00 0.00 64.21 61.51 1wfk n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfk s SER 87 N -3.24 6.59 0.00 -3.46 1.04 -1.26 -5.26 113.70 108.11 1wfk s SER 87 Ca 0.20 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1wfk s SER 87 Cb -0.09 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1wfk s SER 87 CO 0.32 0.14 0.48 0.61 0.98 0.00 0.00 173.24 175.76