#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 6.17 0.17 1.61 0.01 -1.26 -5.04 113.70 115.36 1wfk s SER 2 Ca 0.00 -1.37 0.03 0.00 1.31 0.00 0.00 55.95 55.92 1wfk s SER 2 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1wfk s SER 2 CO 0.00 -0.76 -0.05 -0.94 0.41 0.00 0.00 173.24 171.90 1wfk s SER 3 N 2.90 1.59 0.00 2.44 1.04 -1.26 -5.12 113.70 115.29 1wfk s SER 3 Ca 0.06 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1wfk s SER 3 Cb -0.25 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1wfk s SER 3 CO 0.07 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wfk n GLY 4 N -0.24 -0.61 3.87 7.32 0.00 -1.26 -5.17 105.19 109.10 1wfk n GLY 4 Ca -0.08 0.76 -0.25 0.00 0.00 0.00 0.00 46.02 46.45 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 5.91 -0.74 1.61 0.15 -1.26 -5.03 113.70 114.34 1wfk s SER 5 Ca 0.00 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.38 1wfk s SER 5 Cb 0.00 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 1wfk s SER 5 CO 0.00 0.03 1.86 -0.44 1.20 0.00 0.00 173.24 175.89 1wfk s SER 6 N -3.36 5.29 0.00 5.45 0.01 -1.26 -4.90 113.70 114.93 1wfk s SER 6 Ca 0.33 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1wfk s SER 6 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1wfk s SER 6 CO 0.26 -2.47 0.00 0.61 0.41 0.00 0.00 173.24 172.05 1wfk n GLY 7 N 6.16 -1.67 3.19 3.44 0.00 -1.26 -4.90 105.19 110.14 1wfk n GLY 7 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 2.47 1.30 1.61 1.00 -1.26 -5.13 119.30 119.28 1wfk s MET 8 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 55.69 54.73 1wfk s MET 8 Cb 0.00 -1.98 0.32 0.00 0.00 0.00 0.00 34.83 33.17 1wfk s MET 8 CO 0.00 0.22 1.00 -1.21 0.00 0.00 0.00 175.02 175.03 1wfk s GLU 9 N 0.20 -1.98 -0.42 2.03 8.01 -1.26 -4.72 118.70 120.56 1wfk s GLU 9 Ca -0.11 0.24 -0.37 0.00 0.01 0.00 0.00 54.97 54.73 1wfk s GLU 9 Cb -0.15 -1.48 -0.16 0.00 -4.31 0.00 0.00 34.13 28.03 1wfk s GLU 9 CO 0.05 -4.28 1.69 0.43 0.01 0.00 0.00 175.26 173.16 1wfk n SER 10 N -5.22 0.72 -4.92 -0.19 7.64 -1.26 -4.81 113.62 105.58 1wfk n SER 10 Ca 0.10 0.67 -0.26 0.00 1.01 0.00 0.00 58.87 60.40 1wfk n SER 10 Cb 0.59 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1wfk n SER 10 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wfk s ARG 11 N 4.43 2.25 0.23 1.43 0.52 -1.26 -2.63 118.95 123.92 1wfk s ARG 11 Ca 0.98 -2.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 1wfk s ARG 11 Cb -1.26 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 1wfk s ARG 11 CO 0.59 -0.68 0.69 0.00 0.02 0.00 0.00 175.30 175.92 1wfk n TYR 13 N 0.50 1.55 0.00 0.00 4.19 0.12 -2.14 117.16 121.37 1wfk n TYR 13 Ca -0.02 -0.95 0.00 0.00 3.31 0.00 0.00 57.90 60.25 1wfk n TYR 13 Cb 0.52 -0.53 0.00 0.00 0.49 0.00 0.00 39.34 39.81 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 -0.14 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.85 1wfk n GLY 14 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.87 -0.21 -2.69 0.00 0.00 -0.91 -4.95 120.51 110.88 1wfk n ALA 16 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1wfk n ALA 16 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.39 4.84 0.24 0.00 0.11 -1.26 -4.48 120.40 117.45 1wfk s VAL 17 Ca 0.00 1.88 -0.31 0.00 -2.93 0.00 0.00 61.98 60.62 1wfk s VAL 17 Cb 0.00 -4.24 -0.11 0.00 -1.53 0.00 0.00 36.38 30.49 1wfk s VAL 17 CO 0.00 0.04 1.65 -0.75 -3.33 0.00 0.00 175.10 172.71 1wfk s LYS 18 N 1.88 4.14 -0.12 1.54 2.20 -1.26 -2.17 119.74 125.95 1wfk s LYS 18 Ca 0.45 2.56 -0.30 0.00 -0.36 0.00 0.00 55.97 58.32 1wfk s LYS 18 Cb -0.18 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1wfk s LYS 18 CO 0.17 -0.68 1.15 -0.06 -0.36 0.00 0.00 175.35 175.57 1wfk s PHE 19 N 0.70 3.20 0.20 4.03 0.08 -1.08 -4.80 117.98 120.31 1wfk s PHE 19 Ca 0.69 1.29 -0.04 0.00 0.12 0.00 0.00 56.93 58.99 1wfk s PHE 19 Cb -0.48 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 1wfk s PHE 19 CO 0.38 -1.04 0.20 0.95 -0.10 0.00 0.00 175.22 175.61 1wfk s THR 20 N 2.64 0.01 0.16 0.64 -4.23 0.15 -4.95 115.64 110.06 1wfk s THR 20 Ca 0.52 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1wfk s THR 20 Cb -0.21 -2.39 0.22 0.00 1.34 0.00 0.00 72.50 71.46 1wfk s THR 20 CO 0.17 -0.04 0.99 0.18 -0.54 0.00 0.00 174.62 175.38 1wfk n LEU 21 N -0.28 -0.33 -0.04 4.79 4.32 -1.26 0.12 117.00 124.32 1wfk n LEU 21 Ca 0.00 1.11 -0.13 0.00 -0.02 0.00 0.00 56.01 56.97 1wfk n LEU 21 Cb 0.65 -0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 1wfk n LEU 21 CO 0.30 -1.02 0.63 -0.26 -1.22 0.00 0.00 177.39 175.82 1wfk h PHE 22 N 0.00 0.24 -3.55 -1.77 -1.00 -1.98 -3.36 116.94 105.53 1wfk h PHE 22 Ca 0.26 -0.07 -0.79 0.00 2.81 0.00 0.00 57.97 60.18 1wfk h PHE 22 Cb 0.42 -0.05 -0.27 0.00 3.61 0.00 0.00 35.95 39.66 1wfk h PHE 22 CO -0.53 0.62 0.42 0.21 -1.61 0.00 0.00 178.31 177.42 1wfk s LYS 23 N -4.35 4.08 1.28 1.51 2.47 0.32 -5.05 119.74 119.99 1wfk s LYS 23 Ca -0.15 -3.03 -0.19 0.00 -1.56 0.00 0.00 55.97 51.04 1wfk s LYS 23 Cb 0.04 -4.56 0.29 0.00 -1.46 0.00 0.00 37.83 32.14 1wfk s LYS 23 CO 0.72 -1.28 0.69 1.63 0.16 0.00 0.00 175.35 177.27 1wfk n LYS 24 N 3.11 -3.47 -4.56 4.03 5.02 -0.99 0.31 118.16 121.59 1wfk n LYS 24 Ca 0.22 -1.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.16 1wfk n LYS 24 Cb 0.41 -1.85 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 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 -4.38 3.42 0.29 1.97 2.12 -1.26 -4.27 118.70 116.59 1wfk s GLU 25 Ca 0.60 -0.65 0.10 0.00 0.36 0.00 0.00 54.97 55.37 1wfk s GLU 25 Cb -0.14 -2.73 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 1wfk s GLU 25 CO 0.55 0.14 -0.03 0.71 -0.54 0.00 0.00 175.26 176.09 1wfk s TYR 26 N 0.55 2.57 0.06 5.30 1.51 0.22 -4.95 117.35 122.60 1wfk s TYR 26 Ca -0.07 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1wfk s TYR 26 Cb -0.15 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1wfk s TYR 26 CO 0.03 0.58 -0.16 0.20 -1.11 0.00 0.00 175.55 175.10 1wfk s GLY 27 N -3.66 0.93 0.50 0.71 0.00 -1.26 -0.51 107.32 104.03 1wfk s GLY 27 Ca 0.32 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1wfk s GLY 27 CO 0.19 -0.95 0.71 0.00 0.00 0.00 0.00 173.10 173.06 1wfk n LYS 29 N -2.20 0.35 0.00 0.00 4.76 -1.26 -3.97 118.16 115.85 1wfk n LYS 29 Ca 0.05 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1wfk n LYS 29 Cb 0.59 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 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 -3.34 0.00 0.01 4.39 5.15 -1.26 -4.04 115.26 116.17 1wfk n ASN 30 Ca -0.29 0.70 -0.09 0.00 -0.60 0.00 0.00 54.58 54.30 1wfk n ASN 30 Cb 0.75 -0.32 0.06 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.28 0.51 3.64 0.00 0.00 -1.25 -5.05 105.19 103.31 1wfk n GLY 32 Ca -0.03 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.72 2.12 -0.14 1.61 0.52 -1.26 -4.81 118.95 112.26 1wfk s ARG 33 Ca 0.05 -1.69 -0.26 0.00 -0.52 0.00 0.00 55.73 53.31 1wfk s ARG 33 Cb -0.02 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 1wfk s ARG 33 CO 0.12 0.16 0.83 0.00 0.02 0.00 0.00 175.30 176.44 1wfk s ALA 34 N -2.49 3.47 0.11 2.13 0.00 -1.26 -1.66 121.76 122.06 1wfk s ALA 34 Ca 0.35 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1wfk s ALA 34 Cb -0.01 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1wfk s ALA 34 CO 0.20 -0.56 -0.08 -0.06 0.00 0.00 0.00 175.76 175.25 1wfk s PHE 35 N 1.92 1.04 -0.02 0.00 0.08 0.33 0.14 117.98 121.47 1wfk s PHE 35 Ca 0.39 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1wfk s PHE 35 Cb -0.17 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 1wfk s PHE 35 CO 0.14 -0.04 0.35 0.00 -0.10 0.00 0.00 175.22 175.57 1wfk n ASN 37 N 1.78 0.15 0.03 0.00 5.15 -1.26 0.25 115.26 121.35 1wfk n ASN 37 Ca -0.15 0.77 -0.12 0.00 -0.60 0.00 0.00 54.58 54.47 1wfk n ASN 37 Cb 0.53 -0.37 -0.08 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.02 1.50 8.20 0.00 -1.94 -3.11 103.07 107.71 1wfk h GLY 38 Ca 0.41 0.01 -0.26 0.00 0.00 0.00 0.00 47.33 47.49 1wfk h GLY 38 CO -0.33 -0.01 -1.14 0.00 0.00 0.00 0.00 176.54 175.06 1wfk n LEU 40 N -3.68 7.37 -1.10 0.00 7.94 0.11 -2.63 117.00 125.02 1wfk n LEU 40 Ca -0.09 -4.57 -0.04 0.00 -1.11 0.00 0.00 56.01 50.20 1wfk n LEU 40 Cb 0.95 -1.30 0.18 0.00 0.53 0.00 0.00 43.42 43.77 1wfk n LEU 40 CO 0.54 1.92 0.52 -1.54 -1.11 0.00 0.00 177.39 177.72 1wfk n SER 41 N 1.28 2.65 -4.29 1.96 3.41 -1.18 -4.71 113.62 112.74 1wfk n SER 41 Ca 0.56 -3.84 -0.16 0.00 -0.26 0.00 0.00 58.87 55.18 1wfk n SER 41 Cb 0.37 -0.57 -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 -3.32 1.42 0.01 7.33 0.40 -1.12 -5.04 117.98 117.67 1wfk s PHE 42 Ca 0.44 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1wfk s PHE 42 Cb 0.40 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 1wfk s PHE 42 CO -0.02 0.08 -0.03 -1.12 0.70 0.00 0.00 175.22 174.83 1wfk s SER 43 N -3.23 0.24 -0.19 1.36 0.01 -1.26 0.89 113.70 111.51 1wfk s SER 43 Ca 0.21 -0.34 -0.28 0.00 1.31 0.00 0.00 55.95 56.85 1wfk s SER 43 Cb 0.03 0.06 0.11 0.00 0.21 0.00 0.00 66.02 66.43 1wfk s SER 43 CO 0.04 -0.19 0.94 0.00 0.41 0.00 0.00 173.24 174.45 1wfk s ALA 44 N -0.96 -1.91 -0.14 1.44 0.00 -0.81 -4.87 121.76 114.51 1wfk s ALA 44 Ca -0.10 1.67 -0.35 0.00 0.00 0.00 0.00 51.96 53.18 1wfk s ALA 44 Cb -0.07 -0.87 -0.12 0.00 0.00 0.00 0.00 23.12 22.07 1wfk s ALA 44 CO -0.01 -0.30 1.92 1.28 0.00 0.00 0.00 175.76 178.66 1wfk n LEU 45 N 1.36 3.22 -4.56 0.00 4.77 -1.25 -2.89 117.00 117.65 1wfk n LEU 45 Ca -0.12 0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 56.38 1wfk n LEU 45 Cb 0.57 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.20 1wfk n LEU 45 CO 0.12 -0.18 -0.21 -0.69 -1.33 0.00 0.00 177.39 175.10 1wfk s VAL 46 N 4.57 4.96 -0.67 4.08 1.01 -0.07 -4.74 120.40 129.54 1wfk s VAL 46 Ca 0.95 0.05 0.20 0.00 0.00 0.00 0.00 61.98 63.18 1wfk s VAL 46 Cb -0.73 -3.33 0.20 0.00 0.00 0.00 0.00 36.38 32.52 1wfk s VAL 46 CO 0.52 0.31 1.62 -0.81 0.00 0.00 0.00 175.10 176.73 1wfk n PRO 47 N 4.81 0.12 0.12 2.72 -0.04 -1.26 0.76 135.00 142.22 1wfk n PRO 47 Ca -0.15 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 1wfk n PRO 47 Cb 0.52 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.46 0.02 0.54 3.08 -1.93 -3.35 114.38 113.21 1wfk h ARG 48 Ca 0.00 -0.78 -0.24 0.00 0.07 0.00 0.00 59.98 59.02 1wfk h ARG 48 Cb 0.32 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1wfk h ARG 48 CO 0.00 1.37 -1.24 0.00 -1.07 0.00 0.00 179.97 179.03 1wfk h ALA 49 N 0.21 0.43 0.00 0.04 0.00 -1.84 -3.48 119.26 114.62 1wfk h ALA 49 Ca -0.27 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1wfk h ALA 49 Cb 2.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1wfk h ALA 49 CO 0.24 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.20 1wfk n GLY 50 N 1.44 0.31 3.59 0.00 0.00 -0.74 -4.86 105.19 104.94 1wfk n GLY 50 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.63 -4.41 1.61 4.13 0.23 -4.96 115.26 109.23 1wfk n ASN 51 Ca 0.00 -0.69 -0.32 0.00 1.68 0.00 0.00 54.58 55.25 1wfk n ASN 51 Cb 0.00 -4.63 -0.14 0.00 -1.54 0.00 0.00 39.78 33.47 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 -3.46 2.69 -1.18 3.41 -4.23 -1.20 -4.69 115.64 106.99 1wfk s THR 52 Ca 0.15 -0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 1wfk s THR 52 Cb -0.07 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.69 1wfk s THR 52 CO 0.77 0.59 1.91 1.67 -0.54 0.00 0.00 174.62 179.01 1wfk n GLN 53 N 2.36 1.83 -3.49 3.99 7.27 -1.26 -0.89 117.38 127.19 1wfk n GLN 53 Ca -0.17 -2.55 -0.23 0.00 0.07 0.00 0.00 57.00 54.12 1wfk n GLN 53 Cb 0.52 -3.65 -0.01 0.00 2.41 0.00 0.00 30.24 29.50 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 6.05 3.48 -0.29 3.69 -1.52 -1.14 -4.63 119.66 125.30 1wfk s GLN 54 Ca 0.66 -0.41 -0.28 0.00 -1.95 0.00 0.00 55.36 53.37 1wfk s GLN 54 Cb 0.01 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 30.07 1wfk s GLN 54 CO 0.13 0.21 1.87 0.15 -0.25 0.00 0.00 175.29 177.39 1wfk s LYS 55 N -4.22 3.35 0.32 2.91 -0.14 -1.26 -1.93 119.74 118.77 1wfk s LYS 55 Ca 0.39 1.60 0.10 0.00 -1.36 0.00 0.00 55.97 56.70 1wfk s LYS 55 Cb -0.10 -4.22 -0.06 0.00 -1.68 0.00 0.00 37.83 31.78 1wfk s LYS 55 CO 0.35 -1.84 -0.10 0.14 -0.76 0.00 0.00 175.35 173.14 1wfk s VAL 56 N 6.97 2.47 0.68 3.17 -7.23 0.26 -4.12 120.40 122.59 1wfk s VAL 56 Ca 0.84 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 1wfk s VAL 56 Cb -0.25 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1wfk s VAL 56 CO 0.34 -0.28 1.06 0.00 -0.31 0.00 0.00 175.10 175.91 1wfk n LYS 58 N -2.94 -0.16 0.00 0.00 3.00 -1.08 -0.41 118.16 116.56 1wfk n LYS 58 Ca 0.08 1.15 0.00 0.00 -0.00 0.00 0.00 58.31 59.54 1wfk n LYS 58 Cb 0.53 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.85 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 -3.83 0.00 -0.38 1.64 7.27 -1.26 -1.23 117.38 119.59 1wfk n GLN 59 Ca 0.01 0.71 -0.03 0.00 0.07 0.00 0.00 57.00 57.76 1wfk n GLN 59 Cb 0.10 -1.20 0.01 0.00 2.41 0.00 0.00 30.24 31.56 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 0.60 0.17 0.00 -0.00 0.49 0.33 115.15 116.73 1wfk h HIS 61 Ca 0.31 0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.37 1wfk h HIS 61 Cb 0.57 -0.16 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1wfk h HIS 61 CO -0.88 -0.11 -1.65 1.15 -0.00 0.00 0.00 177.93 176.44 1wfk h THR 62 N 0.22 0.97 -0.53 6.26 2.02 0.26 -3.25 112.91 118.86 1wfk h THR 62 Ca 0.73 -2.49 0.03 0.00 0.77 0.00 0.00 66.41 65.45 1wfk h THR 62 Cb 2.09 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 71.23 1wfk h THR 62 CO -0.39 0.82 0.31 0.40 0.37 0.00 0.00 175.52 177.03 1wfk h ILE 63 N 0.00 1.03 0.00 3.11 2.04 0.24 1.18 117.51 125.12 1wfk h ILE 63 Ca -0.33 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1wfk h ILE 63 Cb 2.01 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1wfk h ILE 63 CO 0.15 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.59 1wfk n LEU 64 N -4.80 0.04 -0.19 1.44 4.77 0.86 -2.30 117.00 116.81 1wfk n LEU 64 Ca 0.04 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.56 1wfk n LEU 64 Cb 0.09 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1wfk n LEU 64 CO 0.32 -0.21 0.25 0.35 -1.33 0.00 0.00 177.39 176.77 1wfk n THR 65 N -1.54 0.00 -0.10 -5.08 -2.24 -0.08 -3.73 114.28 101.50 1wfk n THR 65 Ca 0.04 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.17 1wfk n THR 65 Cb 0.21 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.41 1wfk n THR 65 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfk n ARG 66 N -0.04 0.67 -2.55 -0.78 1.85 0.39 -4.77 116.66 111.43 1wfk n ARG 66 Ca 0.03 0.17 -0.01 0.00 -1.00 0.00 0.00 57.85 57.04 1wfk n ARG 66 Cb 0.14 -1.56 0.08 0.00 -1.05 0.00 0.00 32.46 30.07 1wfk n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wfk n GLY 67 N 2.20 1.77 1.73 2.89 0.00 -0.97 -5.08 105.19 107.73 1wfk n GLY 67 Ca -0.43 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.94 0.29 -4.17 1.61 3.41 -1.24 -4.87 113.62 107.70 1wfk n SER 68 Ca -0.07 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.48 1wfk n SER 68 Cb 0.85 -0.47 -0.17 0.00 -0.26 0.00 0.00 64.21 64.17 1wfk n SER 68 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfk s SER 69 N 3.69 2.88 -0.32 4.04 1.04 -1.26 -5.02 113.70 118.75 1wfk s SER 69 Ca 0.65 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.72 1wfk s SER 69 Cb -0.73 -1.32 0.47 0.00 0.10 0.00 0.00 66.02 64.55 1wfk s SER 69 CO 0.31 0.12 1.05 -0.90 0.98 0.00 0.00 173.24 174.79 1wfk n ASP 70 N 3.70 2.37 -2.57 7.02 5.68 -1.26 -4.90 116.55 126.58 1wfk n ASP 70 Ca -0.20 -2.78 -0.35 0.00 -0.50 0.00 0.00 54.79 50.96 1wfk n ASP 70 Cb 0.52 -0.48 0.05 0.00 -1.14 0.00 0.00 41.12 40.07 1wfk n ASP 70 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1wfk n ASN 71 N -0.36 7.46 -4.63 -1.12 0.23 -1.26 -4.97 115.26 110.61 1wfk n ASN 71 Ca 0.17 -3.72 -0.43 0.00 -0.53 0.00 0.00 54.58 50.07 1wfk n ASN 71 Cb 0.80 -1.05 -0.02 0.00 -2.08 0.00 0.00 39.78 37.44 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wfk s ALA 72 N -3.64 3.38 0.23 -2.53 0.00 -1.26 -4.90 121.76 113.04 1wfk s ALA 72 Ca 0.57 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 1wfk s ALA 72 Cb 0.45 -3.78 0.41 0.00 0.00 0.00 0.00 23.12 20.20 1wfk s ALA 72 CO -0.21 -1.74 1.70 0.66 0.00 0.00 0.00 175.76 176.17 1wfk h SER 73 N 9.57 0.05 -1.96 0.00 4.64 -2.05 -3.41 113.55 120.39 1wfk h SER 73 Ca -0.29 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1wfk h SER 73 Cb 1.12 0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 63.17 1wfk h SER 73 CO 1.01 0.00 -0.15 -0.54 -0.87 0.00 0.00 176.83 176.28 1wfk s LYS 74 N -6.06 0.57 -0.01 4.77 1.02 -1.26 -5.16 119.74 113.60 1wfk s LYS 74 Ca -0.13 1.41 0.02 0.00 0.02 0.00 0.00 55.97 57.29 1wfk s LYS 74 Cb 0.20 0.83 -0.00 0.00 -0.52 0.00 0.00 37.83 38.34 1wfk s LYS 74 CO 0.75 -0.23 -0.07 -0.46 -0.92 0.00 0.00 175.35 174.43 1wfk s TRP 75 N 2.88 0.64 0.14 3.18 -0.00 -1.26 -5.16 118.94 119.36 1wfk s TRP 75 Ca -0.04 -0.13 0.08 0.00 -0.00 0.00 0.00 56.10 56.01 1wfk s TRP 75 Cb -0.12 -0.44 -0.04 0.00 -0.00 0.00 0.00 33.47 32.87 1wfk s TRP 75 CO -0.19 -0.04 -0.18 -1.54 -0.00 0.00 0.00 176.95 175.00 1wfk s SER 76 N -0.01 2.52 0.60 5.86 1.04 -1.26 -5.14 113.70 117.31 1wfk s SER 76 Ca 0.01 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.47 1wfk s SER 76 Cb -0.04 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1wfk s SER 76 CO -0.00 -0.02 1.12 -2.16 0.98 0.00 0.00 173.24 173.16 1wfk s PRO 77 N -2.48 3.07 1.23 4.02 0.04 -1.26 -5.04 135.00 134.57 1wfk s PRO 77 Ca 0.11 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 1wfk s PRO 77 Cb -0.07 -1.98 0.30 0.00 0.04 0.00 0.00 34.50 32.79 1wfk s PRO 77 CO 0.05 -1.06 1.11 -1.25 0.04 0.00 0.00 177.00 175.90 1wfk s PRO 78 N -3.71 -1.43 0.29 0.56 0.04 -1.26 -4.89 135.00 124.60 1wfk s PRO 78 Ca 0.70 -0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 1wfk s PRO 78 Cb -0.22 -1.58 0.68 0.00 0.04 0.00 0.00 34.50 33.42 1wfk s PRO 78 CO 0.35 -3.84 1.59 1.96 0.04 0.00 0.00 177.00 177.10 1wfk h GLN 79 N -2.67 0.05 0.00 4.56 1.08 -2.06 -3.40 115.11 112.67 1wfk h GLN 79 Ca -0.43 -0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.43 1wfk h GLN 79 Cb 1.29 -0.01 0.20 0.00 -0.05 0.00 0.00 27.48 28.90 1wfk h GLN 79 CO 0.31 0.03 -0.15 0.09 -0.95 0.00 0.00 178.83 178.16 1wfk n ASN 80 N -5.43 -3.96 -3.14 1.46 3.02 -1.26 -4.23 115.26 101.71 1wfk n ASN 80 Ca 0.21 -0.81 -0.18 0.00 -0.03 0.00 0.00 54.58 53.77 1wfk n ASN 80 Cb 0.69 -0.91 0.07 0.00 -0.61 0.00 0.00 39.78 39.02 1wfk n ASN 80 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wfk n TYR 81 N -5.57 -2.27 0.00 3.10 4.01 -1.26 -4.92 117.16 110.25 1wfk n TYR 81 Ca 0.13 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.72 1wfk n TYR 81 Cb 0.55 -4.54 0.00 0.00 -0.31 0.00 0.00 39.34 35.03 1wfk n TYR 81 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wfk n LYS 82 N -4.13 0.00 -0.31 -0.72 0.00 -1.26 -4.76 118.16 106.98 1wfk n LYS 82 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 58.31 58.43 1wfk n LYS 82 Cb 0.59 -0.45 0.38 0.00 0.00 0.00 0.00 35.03 35.55 1wfk n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wfk n SER 83 N -2.95 0.07 -4.44 3.14 2.88 -1.26 -4.52 113.62 106.54 1wfk n SER 83 Ca 0.00 1.57 -0.38 0.00 -1.33 0.00 0.00 58.87 58.73 1wfk n SER 83 Cb 0.45 -0.65 0.04 0.00 -0.75 0.00 0.00 64.21 63.30 1wfk n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfk n GLY 84 N -1.38 -1.74 3.77 0.46 0.00 -1.26 -4.92 105.19 100.12 1wfk n GLY 84 Ca 0.27 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.97 3.05 0.29 1.61 0.04 -1.26 -5.07 135.00 131.68 1wfk s PRO 85 Ca 0.67 1.49 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1wfk s PRO 85 Cb -0.45 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1wfk s PRO 85 CO 0.56 -1.07 0.14 0.45 0.04 0.00 0.00 177.00 177.12 1wfk s SER 86 N -2.23 1.35 0.23 6.66 0.15 -1.26 -5.02 113.70 113.58 1wfk s SER 86 Ca 0.70 -1.50 0.01 0.00 0.70 0.00 0.00 55.95 55.85 1wfk s SER 86 Cb -0.22 0.33 0.56 0.00 -1.71 0.00 0.00 66.02 64.98 1wfk s SER 86 CO 0.35 -0.85 1.18 -0.24 1.20 0.00 0.00 173.24 174.88 1wfk n SER 87 N -0.77 -0.10 0.00 5.45 2.88 -1.26 -5.30 113.62 114.52 1wfk n SER 87 Ca 0.01 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1wfk n SER 87 Cb 0.65 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1wfk n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42