#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 4.38 1.32 1.61 0.15 -1.26 -5.12 113.70 114.79 1wfk s SER 2 Ca 0.00 -2.31 -0.19 0.00 0.70 0.00 0.00 55.95 54.15 1wfk s SER 2 Cb 0.00 -1.41 0.32 0.00 -1.71 0.00 0.00 66.02 63.22 1wfk s SER 2 CO 0.00 -0.34 0.82 -0.24 1.20 0.00 0.00 173.24 174.68 1wfk n SER 3 N 4.01 -3.12 -4.73 5.45 2.88 -1.26 -4.94 113.62 111.92 1wfk n SER 3 Ca 0.04 -0.54 -0.34 0.00 -1.33 0.00 0.00 58.87 56.70 1wfk n SER 3 Cb 0.39 -1.07 0.09 0.00 -0.75 0.00 0.00 64.21 62.86 1wfk n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfk s GLY 4 N -2.64 2.26 -0.01 0.46 0.00 -1.26 -4.97 107.32 101.16 1wfk s GLY 4 Ca 0.65 0.79 -0.23 0.00 0.00 0.00 0.00 44.72 45.93 1wfk s GLY 4 CO 0.59 1.19 1.05 1.76 0.00 0.00 0.00 173.10 177.69 1wfk h SER 5 N -0.37 -0.40 -4.73 1.64 0.02 -2.07 -3.46 113.55 104.19 1wfk h SER 5 Ca -0.47 -0.16 -0.24 0.00 -0.84 0.00 0.00 61.79 60.08 1wfk h SER 5 Cb 1.28 0.10 -0.18 0.00 0.14 0.00 0.00 62.40 63.74 1wfk h SER 5 CO 0.50 0.02 -0.71 -0.94 -1.14 0.00 0.00 176.83 174.56 1wfk s SER 6 N -5.05 0.94 0.00 3.07 1.04 -1.26 -5.15 113.70 107.29 1wfk s SER 6 Ca -0.13 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1wfk s SER 6 Cb 0.01 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1wfk s SER 6 CO 0.47 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1wfk n GLY 7 N 0.76 0.48 3.26 7.32 0.00 -1.26 -5.14 105.19 110.61 1wfk n GLY 7 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1wfk n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wfk s MET 8 N 2.38 0.44 0.10 1.61 0.00 -1.26 -5.08 119.30 117.50 1wfk s MET 8 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 55.69 56.15 1wfk s MET 8 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 34.83 35.04 1wfk s MET 8 CO 0.00 -0.06 0.00 0.39 0.00 0.00 0.00 175.02 175.35 1wfk n GLU 9 N 2.77 0.00 -3.55 3.16 1.02 -1.26 -5.00 120.64 117.78 1wfk n GLU 9 Ca -0.14 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 1wfk n GLU 9 Cb 0.57 -0.40 -0.10 0.00 -0.02 0.00 0.00 31.44 31.50 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfk s SER 10 N -5.79 5.78 0.33 1.62 0.01 -1.26 -5.06 113.70 109.33 1wfk s SER 10 Ca 0.00 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 55.92 1wfk s SER 10 Cb 0.00 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.19 1wfk s SER 10 CO 0.00 -0.53 0.05 0.54 0.41 0.00 0.00 173.24 173.71 1wfk n ARG 11 N 5.00 1.17 -3.43 12.44 1.74 -1.26 -2.74 116.66 129.58 1wfk n ARG 11 Ca -0.11 -2.34 -0.37 0.00 -0.77 0.00 0.00 57.85 54.26 1wfk n ARG 11 Cb 0.44 0.56 -0.06 0.00 -1.02 0.00 0.00 32.46 32.38 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 1.31 1.22 0.00 0.00 4.19 0.15 -1.72 117.16 122.31 1wfk n TYR 13 Ca -0.09 -0.80 0.00 0.00 3.31 0.00 0.00 57.90 60.31 1wfk n TYR 13 Cb 0.52 -0.46 0.00 0.00 0.49 0.00 0.00 39.34 39.89 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 -0.04 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.96 1wfk n GLY 14 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.67 -0.26 -2.70 0.00 0.00 -0.70 -4.95 120.51 111.22 1wfk n ALA 16 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1wfk n ALA 16 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.47 4.94 0.26 0.00 0.11 -1.26 -4.52 120.40 117.45 1wfk s VAL 17 Ca 0.00 1.65 -0.30 0.00 -2.93 0.00 0.00 61.98 60.39 1wfk s VAL 17 Cb 0.00 -4.14 -0.11 0.00 -1.53 0.00 0.00 36.38 30.61 1wfk s VAL 17 CO 0.00 0.14 1.51 -0.75 -3.33 0.00 0.00 175.10 172.67 1wfk s LYS 18 N 1.41 4.21 -0.05 1.54 2.20 -1.26 -2.02 119.74 125.77 1wfk s LYS 18 Ca 0.41 2.41 -0.30 0.00 -0.36 0.00 0.00 55.97 58.13 1wfk s LYS 18 Cb -0.18 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1wfk s LYS 18 CO 0.18 -0.51 1.08 -0.06 -0.36 0.00 0.00 175.35 175.68 1wfk s PHE 19 N 0.10 3.43 0.28 4.03 0.08 -1.11 -4.83 117.98 119.97 1wfk s PHE 19 Ca 0.62 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 59.12 1wfk s PHE 19 Cb -0.44 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 38.72 1wfk s PHE 19 CO 0.44 -0.63 0.31 0.95 -0.10 0.00 0.00 175.22 176.19 1wfk s THR 20 N 1.79 0.00 0.20 0.64 -4.23 0.18 -4.96 115.64 109.26 1wfk s THR 20 Ca 0.52 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.05 1wfk s THR 20 Cb -0.22 -2.50 0.19 0.00 1.34 0.00 0.00 72.50 71.31 1wfk s THR 20 CO 0.22 0.00 1.40 0.18 -0.54 0.00 0.00 174.62 175.88 1wfk n LEU 21 N -0.46 -0.62 -0.05 4.79 4.32 -1.26 -0.21 117.00 123.50 1wfk n LEU 21 Ca 0.03 1.57 -0.13 0.00 -0.02 0.00 0.00 56.01 57.46 1wfk n LEU 21 Cb 0.63 -0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 42.02 1wfk n LEU 21 CO 0.30 -1.40 0.65 -0.26 -1.22 0.00 0.00 177.39 175.46 1wfk h PHE 22 N 0.00 0.36 -3.30 -1.77 -1.00 -1.98 -3.35 116.94 105.90 1wfk h PHE 22 Ca 0.30 -0.10 -0.78 0.00 2.81 0.00 0.00 57.97 60.20 1wfk h PHE 22 Cb 0.52 -0.08 -0.26 0.00 3.61 0.00 0.00 35.95 39.74 1wfk h PHE 22 CO -0.80 0.66 0.60 0.21 -1.61 0.00 0.00 178.31 177.37 1wfk s LYS 23 N -4.48 4.12 1.21 1.51 2.47 0.71 -5.04 119.74 120.24 1wfk s LYS 23 Ca -0.14 -3.01 -0.17 0.00 -1.56 0.00 0.00 55.97 51.09 1wfk s LYS 23 Cb 0.05 -4.65 0.25 0.00 -1.46 0.00 0.00 37.83 32.02 1wfk s LYS 23 CO 0.74 -1.36 0.62 1.63 0.16 0.00 0.00 175.35 177.13 1wfk n LYS 24 N 3.45 -2.71 -4.51 4.03 5.02 -0.95 0.50 118.16 122.99 1wfk n LYS 24 Ca 0.25 -0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 55.43 1wfk n LYS 24 Cb 0.41 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 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 -4.12 3.57 0.30 1.97 2.12 -1.26 -4.18 118.70 117.09 1wfk s GLU 25 Ca 0.62 -0.58 0.10 0.00 0.36 0.00 0.00 54.97 55.47 1wfk s GLU 25 Cb -0.18 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1wfk s GLU 25 CO 0.62 0.22 -0.05 0.71 -0.54 0.00 0.00 175.26 176.22 1wfk s TYR 26 N 0.39 2.52 0.03 5.30 1.51 0.21 -4.95 117.35 122.38 1wfk s TYR 26 Ca -0.06 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1wfk s TYR 26 Cb -0.15 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1wfk s TYR 26 CO 0.04 0.58 -0.15 0.20 -1.11 0.00 0.00 175.55 175.11 1wfk s GLY 27 N -3.65 0.83 0.51 0.71 0.00 -1.26 -0.73 107.32 103.73 1wfk s GLY 27 Ca 0.32 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 1wfk s GLY 27 CO 0.18 -0.79 0.75 0.00 0.00 0.00 0.00 173.10 173.24 1wfk n LYS 29 N -2.26 0.36 0.00 0.00 4.76 -1.26 -3.97 118.16 115.79 1wfk n LYS 29 Ca 0.04 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.58 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 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 -3.07 0.00 0.06 4.39 5.15 -1.26 -4.08 115.26 116.44 1wfk n ASN 30 Ca -0.27 0.61 -0.05 0.00 -0.60 0.00 0.00 54.58 54.28 1wfk n ASN 30 Cb 0.76 -0.29 0.14 0.00 -0.53 0.00 0.00 39.78 39.86 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 0.06 0.47 3.72 0.00 0.00 -1.25 -5.06 105.19 103.13 1wfk n GLY 32 Ca -0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.81 2.15 -0.13 1.61 0.52 -1.26 -4.83 118.95 112.19 1wfk s ARG 33 Ca 0.07 -2.00 -0.19 0.00 -0.52 0.00 0.00 55.73 53.09 1wfk s ARG 33 Cb -0.03 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1wfk s ARG 33 CO 0.15 -0.16 0.52 0.00 0.02 0.00 0.00 175.30 175.83 1wfk s ALA 34 N -2.68 3.48 0.09 2.13 0.00 -1.26 -1.34 121.76 122.18 1wfk s ALA 34 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1wfk s ALA 34 Cb 0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1wfk s ALA 34 CO 0.19 -0.14 -0.05 -0.06 0.00 0.00 0.00 175.76 175.69 1wfk s PHE 35 N 0.95 0.79 -0.02 0.00 0.08 0.09 0.34 117.98 120.22 1wfk s PHE 35 Ca 0.27 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 56.25 1wfk s PHE 35 Cb -0.16 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1wfk s PHE 35 CO 0.11 -0.22 0.32 0.00 -0.10 0.00 0.00 175.22 175.33 1wfk n ASN 37 N 1.62 0.14 0.04 0.00 2.85 -1.26 0.21 115.26 118.85 1wfk n ASN 37 Ca -0.14 0.81 -0.13 0.00 -0.11 0.00 0.00 54.58 55.02 1wfk n ASN 37 Cb 0.53 -0.40 -0.08 0.00 1.24 0.00 0.00 39.78 41.07 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 -0.07 1.36 8.20 0.00 -1.93 -3.15 103.07 107.48 1wfk h GLY 38 Ca 0.49 0.02 -0.28 0.00 0.00 0.00 0.00 47.33 47.57 1wfk h GLY 38 CO -0.30 -0.02 -1.17 0.00 0.00 0.00 0.00 176.54 175.05 1wfk n LEU 40 N -3.75 7.00 -1.28 0.00 7.94 0.10 -2.57 117.00 124.43 1wfk n LEU 40 Ca -0.11 -4.24 -0.08 0.00 -1.11 0.00 0.00 56.01 50.47 1wfk n LEU 40 Cb 0.95 -1.32 0.17 0.00 0.53 0.00 0.00 43.42 43.75 1wfk n LEU 40 CO 0.56 1.86 0.63 -1.54 -1.11 0.00 0.00 177.39 177.79 1wfk n SER 41 N 1.57 2.97 -4.23 1.96 3.41 -1.19 -4.73 113.62 113.39 1wfk n SER 41 Ca 0.55 -3.81 -0.14 0.00 -0.26 0.00 0.00 58.87 55.21 1wfk n SER 41 Cb 0.48 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.20 -0.01 7.33 0.40 -1.15 -5.04 117.98 117.38 1wfk s PHE 42 Ca 0.46 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1wfk s PHE 42 Cb 0.41 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 43.32 1wfk s PHE 42 CO -0.01 0.05 -0.04 -1.12 0.70 0.00 0.00 175.22 174.81 1wfk s SER 43 N -2.94 0.54 -0.03 1.36 0.01 -1.26 0.11 113.70 111.49 1wfk s SER 43 Ca 0.13 -0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 1wfk s SER 43 Cb 0.01 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1wfk s SER 43 CO 0.00 0.02 0.53 0.00 0.41 0.00 0.00 173.24 174.20 1wfk s ALA 44 N 0.20 -1.37 -0.05 1.44 0.00 -0.64 -4.89 121.76 116.46 1wfk s ALA 44 Ca -0.02 0.91 -0.33 0.00 0.00 0.00 0.00 51.96 52.52 1wfk s ALA 44 Cb -0.05 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.01 1wfk s ALA 44 CO -0.00 -0.34 1.92 1.28 0.00 0.00 0.00 175.76 178.63 1wfk n LEU 45 N 1.02 3.70 -4.58 0.00 4.77 -1.26 -2.55 117.00 118.10 1wfk n LEU 45 Ca -0.20 0.93 -0.36 0.00 -0.03 0.00 0.00 56.01 56.35 1wfk n LEU 45 Cb 0.57 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.12 1wfk n LEU 45 CO 0.23 0.03 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.41 1wfk s VAL 46 N 4.31 4.91 -2.00 4.08 1.01 -0.73 -4.79 120.40 127.19 1wfk s VAL 46 Ca 0.92 0.02 0.14 0.00 0.00 0.00 0.00 61.98 63.06 1wfk s VAL 46 Cb -0.60 -3.28 0.40 0.00 0.00 0.00 0.00 36.38 32.90 1wfk s VAL 46 CO 0.48 0.35 1.26 -0.81 0.00 0.00 0.00 175.10 176.39 1wfk n PRO 47 N 4.44 0.49 -0.10 2.72 -0.04 -1.26 0.36 135.00 141.61 1wfk n PRO 47 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1wfk n PRO 47 Cb 0.52 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.96 0.89 -1.13 0.54 1.74 -1.26 -4.37 116.66 112.11 1wfk n ARG 48 Ca 0.11 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 1wfk n ARG 48 Cb 0.05 -1.48 0.22 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.75 5.18 -2.65 7.54 0.00 -0.99 -4.86 120.51 121.99 1wfk n ALA 49 Ca -0.32 -2.63 -0.04 0.00 0.00 0.00 0.00 53.44 50.46 1wfk n ALA 49 Cb 1.10 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.75 0.67 3.77 0.00 0.00 -1.21 -3.84 105.19 103.84 1wfk n GLY 50 Ca 0.52 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.57 -1.78 -4.44 1.61 4.13 0.16 -4.97 115.26 110.53 1wfk n ASN 51 Ca -0.00 -0.92 -0.33 0.00 1.68 0.00 0.00 54.58 55.01 1wfk n ASN 51 Cb 0.51 -3.61 -0.13 0.00 -1.54 0.00 0.00 39.78 35.01 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 -3.73 3.02 -0.77 3.41 -4.23 -1.17 -4.65 115.64 107.52 1wfk s THR 52 Ca 0.10 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 1wfk s THR 52 Cb -0.03 -2.20 -0.08 0.00 1.34 0.00 0.00 72.50 71.53 1wfk s THR 52 CO 0.85 0.58 2.15 -1.58 -0.54 0.00 0.00 174.62 176.07 1wfk s GLN 53 N -0.47 2.18 0.29 3.99 0.74 -1.26 -1.77 119.66 123.36 1wfk s GLN 53 Ca 0.06 0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.87 1wfk s GLN 53 Cb -0.12 -4.81 -0.04 0.00 1.10 0.00 0.00 33.01 29.14 1wfk s GLN 53 CO 0.02 -3.64 0.15 -0.65 -0.55 0.00 0.00 175.29 170.61 1wfk s GLN 54 N 7.82 2.62 -0.41 1.67 -1.52 -1.06 -4.74 119.66 124.04 1wfk s GLN 54 Ca 0.81 -1.29 -0.28 0.00 -1.95 0.00 0.00 55.36 52.65 1wfk s GLN 54 Cb -0.11 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 1wfk s GLN 54 CO 0.09 0.29 1.86 0.15 -0.25 0.00 0.00 175.29 177.43 1wfk s LYS 55 N -3.82 3.08 0.32 2.91 -0.14 -1.26 -1.62 119.74 119.21 1wfk s LYS 55 Ca 0.35 1.24 0.09 0.00 -1.36 0.00 0.00 55.97 56.29 1wfk s LYS 55 Cb -0.06 -4.27 -0.05 0.00 -1.68 0.00 0.00 37.83 31.77 1wfk s LYS 55 CO 0.23 -2.17 0.03 0.14 -0.76 0.00 0.00 175.35 172.83 1wfk s VAL 56 N 7.80 2.88 0.54 3.17 -7.23 0.31 -4.16 120.40 123.71 1wfk s VAL 56 Ca 0.78 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 1wfk s VAL 56 Cb -0.20 -2.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 1wfk s VAL 56 CO 0.30 -0.24 1.02 0.00 -0.31 0.00 0.00 175.10 175.87 1wfk n LYS 58 N -1.61 -0.14 0.00 0.00 3.00 -1.06 -0.41 118.16 117.95 1wfk n LYS 58 Ca 0.08 0.90 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 1wfk n LYS 58 Cb 0.53 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.23 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 -0.30 1.64 7.27 -1.26 -1.10 117.38 119.95 1wfk n GLN 59 Ca 0.01 0.80 -0.01 0.00 0.07 0.00 0.00 57.00 57.87 1wfk n GLN 59 Cb 0.08 -1.28 0.06 0.00 2.41 0.00 0.00 30.24 31.50 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 -0.05 0.30 0.08 0.00 -0.00 0.83 0.40 115.15 116.71 1wfk h HIS 61 Ca 0.34 0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.38 1wfk h HIS 61 Cb 0.60 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 1wfk h HIS 61 CO -0.73 0.00 -1.86 1.15 -0.00 0.00 0.00 177.93 176.49 1wfk h THR 62 N 0.16 0.74 -0.34 6.26 2.02 0.26 -3.24 112.91 118.77 1wfk h THR 62 Ca 0.61 -2.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 1wfk h THR 62 Cb 2.03 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 70.93 1wfk h THR 62 CO -0.16 0.75 -0.06 0.40 0.37 0.00 0.00 175.52 176.83 1wfk h ILE 63 N 0.05 1.22 0.00 3.11 2.04 0.25 0.82 117.51 124.99 1wfk h ILE 63 Ca -0.36 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1wfk h ILE 63 Cb 2.03 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1wfk h ILE 63 CO 0.09 0.31 -0.03 -0.07 0.00 0.00 0.00 178.15 178.45 1wfk h LEU 64 N 0.51 0.00 0.00 1.44 3.38 -0.51 -3.11 115.31 117.02 1wfk h LEU 64 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1wfk h LEU 64 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wfk h LEU 64 CO 0.02 0.00 -1.66 0.35 0.09 0.00 0.00 178.44 177.24 1wfk n THR 65 N -2.58 0.00 0.07 0.22 -2.24 -0.79 -4.22 114.28 104.75 1wfk n THR 65 Ca 0.05 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 1wfk n THR 65 Cb 0.47 0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.10 0.00 -0.78 0.11 0.62 -3.45 114.38 110.98 1wfk h ARG 66 Ca 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1wfk h ARG 66 Cb 0.78 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1wfk h ARG 66 CO 0.00 1.07 0.00 0.41 0.10 0.00 0.00 179.97 181.55 1wfk n GLY 67 N 1.42 0.64 3.74 0.08 0.00 -1.18 -4.89 105.19 105.00 1wfk n GLY 67 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -0.96 -4.35 1.61 7.64 -1.26 -4.83 113.62 111.46 1wfk n SER 68 Ca 0.00 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 1wfk n SER 68 Cb 0.00 -1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 61.95 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 -2.89 5.97 -0.07 6.43 0.01 -1.26 -5.04 113.70 116.85 1wfk s SER 69 Ca 0.50 -1.34 -0.38 0.00 1.31 0.00 0.00 55.95 56.04 1wfk s SER 69 Cb -0.29 -2.12 -0.16 0.00 0.21 0.00 0.00 66.02 63.66 1wfk s SER 69 CO 0.75 -0.59 1.55 0.47 0.41 0.00 0.00 173.24 175.82 1wfk n ASP 70 N 5.10 2.12 -3.67 2.44 8.00 -1.26 -4.93 116.55 124.35 1wfk n ASP 70 Ca -0.12 1.09 -0.08 0.00 0.71 0.00 0.00 54.79 56.39 1wfk n ASP 70 Cb 0.44 -1.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.33 1wfk n ASP 70 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wfk s ASN 71 N 1.97 -0.35 0.37 -2.24 -0.87 -1.26 -5.18 114.94 107.38 1wfk s ASN 71 Ca 0.90 -0.32 0.08 0.00 -1.57 0.00 0.00 52.86 51.95 1wfk s ASN 71 Cb -0.98 0.61 -0.03 0.00 -0.02 0.00 0.00 41.25 40.83 1wfk s ASN 71 CO 0.55 -1.07 0.29 0.00 -2.57 0.00 0.00 177.10 174.30 1wfk s ALA 72 N -3.66 3.85 -1.34 0.60 0.00 -1.26 -5.03 121.76 114.92 1wfk s ALA 72 Ca 0.07 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.13 1wfk s ALA 72 Cb -0.03 -1.01 0.12 0.00 0.00 0.00 0.00 23.12 22.19 1wfk s ALA 72 CO -0.02 -0.08 1.96 0.45 0.00 0.00 0.00 175.76 178.07 1wfk n SER 73 N -1.39 4.67 -3.64 0.00 2.88 -1.26 -4.84 113.62 110.04 1wfk n SER 73 Ca -0.00 -3.00 -0.05 0.00 -1.33 0.00 0.00 58.87 54.49 1wfk n SER 73 Cb 0.61 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.44 1wfk n SER 73 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wfk s LYS 74 N 1.65 0.43 -0.30 -1.46 2.47 -1.26 -5.16 119.74 116.11 1wfk s LYS 74 Ca 0.43 0.66 -0.14 0.00 -1.56 0.00 0.00 55.97 55.36 1wfk s LYS 74 Cb 0.10 0.13 0.15 0.00 -1.46 0.00 0.00 37.83 36.75 1wfk s LYS 74 CO -0.02 -0.08 0.90 -0.46 0.16 0.00 0.00 175.35 175.85 1wfk s TRP 75 N 0.98 -0.81 -0.02 4.03 -0.00 -1.26 -5.17 118.94 116.70 1wfk s TRP 75 Ca -0.05 1.46 0.07 0.00 -0.00 0.00 0.00 56.10 57.58 1wfk s TRP 75 Cb -0.04 0.48 -0.02 0.00 -0.00 0.00 0.00 33.47 33.90 1wfk s TRP 75 CO -0.12 -0.40 -0.22 0.45 -0.00 0.00 0.00 176.95 176.66 1wfk s SER 76 N 2.19 2.55 0.68 5.86 0.15 -1.26 -5.14 113.70 118.73 1wfk s SER 76 Ca -0.05 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 1wfk s SER 76 Cb -0.06 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1wfk s SER 76 CO -0.17 0.27 1.11 -2.16 1.20 0.00 0.00 173.24 173.48 1wfk s PRO 77 N -0.53 2.71 0.00 5.44 0.04 -1.26 -4.89 135.00 136.52 1wfk s PRO 77 Ca 0.08 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1wfk s PRO 77 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wfk s PRO 77 CO -0.01 -1.32 0.33 -0.35 0.04 0.00 0.00 177.00 175.70 1wfk n PRO 78 N -2.60 0.49 -3.06 0.56 -0.04 -1.26 -4.74 135.00 124.34 1wfk n PRO 78 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1wfk n PRO 78 Cb 0.52 -1.15 0.05 0.00 -0.04 0.00 0.00 33.50 32.88 1wfk n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wfk n GLN 79 N -0.02 -4.51 0.00 0.54 6.02 -1.26 -4.93 117.38 113.21 1wfk n GLN 79 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1wfk n GLN 79 Cb 0.08 -4.52 0.00 0.00 1.02 0.00 0.00 30.24 26.82 1wfk n GLN 79 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wfk n ASN 80 N -1.54 1.90 -4.83 1.08 5.15 -1.26 -5.07 115.26 110.69 1wfk n ASN 80 Ca -0.05 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.62 1wfk n ASN 80 Cb 0.56 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.85 1wfk n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1wfk s TYR 81 N -1.89 3.17 -0.38 1.20 1.51 -1.26 -5.02 117.35 114.67 1wfk s TYR 81 Ca 0.00 1.40 -0.14 0.00 -1.01 0.00 0.00 57.07 57.31 1wfk s TYR 81 Cb 0.00 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1wfk s TYR 81 CO 0.00 -1.18 0.29 0.21 -1.11 0.00 0.00 175.55 173.76 1wfk s LYS 82 N -5.06 3.22 1.12 -0.62 2.47 -1.26 -5.07 119.74 114.54 1wfk s LYS 82 Ca 0.58 -0.81 -0.13 0.00 -1.56 0.00 0.00 55.97 54.04 1wfk s LYS 82 Cb -0.14 -3.90 0.23 0.00 -1.46 0.00 0.00 37.83 32.56 1wfk s LYS 82 CO 0.55 -0.63 0.86 0.43 0.16 0.00 0.00 175.35 176.72 1wfk n SER 83 N 5.19 -1.50 0.00 1.43 7.64 -1.26 -4.99 113.62 120.12 1wfk n SER 83 Ca -0.11 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1wfk n SER 83 Cb 0.48 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1wfk n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfk n GLY 84 N 1.07 0.75 0.00 0.23 0.00 -1.26 -5.00 105.19 100.97 1wfk n GLY 84 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1wfk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfk n PRO 85 N 0.00 0.49 -3.95 1.61 -0.04 -1.26 -4.35 135.00 127.50 1wfk n PRO 85 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1wfk n PRO 85 Cb 0.00 -1.39 -0.15 0.00 -0.04 0.00 0.00 33.50 31.92 1wfk n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfk s SER 86 N -1.89 4.57 -0.20 3.54 1.04 -1.26 -5.08 113.70 114.41 1wfk s SER 86 Ca 0.18 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.62 1wfk s SER 86 Cb 0.08 -1.44 0.05 0.00 0.10 0.00 0.00 66.02 64.82 1wfk s SER 86 CO 0.14 -0.38 -0.07 -0.44 0.98 0.00 0.00 173.24 173.47 1wfk s SER 87 N 1.09 3.42 0.00 7.02 0.01 -1.26 -5.23 113.70 118.75 1wfk s SER 87 Ca 0.10 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1wfk s SER 87 Cb -0.19 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1wfk s SER 87 CO -0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.95