#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 6.14 -0.20 1.61 0.01 -1.26 -5.00 113.70 115.00 1wfk s SER 2 Ca 0.00 -1.23 -0.04 0.00 1.31 0.00 0.00 55.95 56.00 1wfk s SER 2 Cb 0.00 -2.18 0.10 0.00 0.21 0.00 0.00 66.02 64.15 1wfk s SER 2 CO 0.00 -0.61 0.29 -0.44 0.41 0.00 0.00 173.24 172.89 1wfk s SER 3 N 2.40 0.73 -1.36 2.44 0.01 -1.26 -4.92 113.70 111.73 1wfk s SER 3 Ca 0.04 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 1wfk s SER 3 Cb -0.23 0.73 0.07 0.00 0.21 0.00 0.00 66.02 66.80 1wfk s SER 3 CO 0.07 -0.30 0.17 0.61 0.41 0.00 0.00 173.24 174.21 1wfk n GLY 4 N 5.34 -0.18 0.28 3.44 0.00 -1.26 -4.75 105.19 108.06 1wfk n GLY 4 Ca -0.05 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1wfk n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wfk h SER 5 N -1.07 -0.01 -4.30 1.61 0.87 -1.94 -3.41 113.55 105.30 1wfk h SER 5 Ca -0.52 0.16 -0.43 0.00 -1.23 0.00 0.00 61.79 59.77 1wfk h SER 5 Cb 1.13 0.22 -0.25 0.00 -0.44 0.00 0.00 62.40 63.06 1wfk h SER 5 CO 0.63 -0.07 -0.79 -0.44 -0.53 0.00 0.00 176.83 175.63 1wfk s SER 6 N -5.21 1.55 0.00 6.23 0.01 -1.26 -5.16 113.70 109.86 1wfk s SER 6 Ca -0.13 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1wfk s SER 6 Cb 0.22 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1wfk s SER 6 CO 0.76 0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.06 1wfk n GLY 7 N 2.06 1.18 3.47 3.44 0.00 -1.26 -4.97 105.19 109.11 1wfk n GLY 7 Ca -0.17 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 1.95 3.91 -0.13 1.61 0.00 -1.26 -4.76 119.30 120.62 1wfk s MET 8 Ca 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 55.69 53.34 1wfk s MET 8 Cb 0.00 -5.05 -0.04 0.00 0.00 0.00 0.00 34.83 29.74 1wfk s MET 8 CO 0.00 -1.81 -0.22 0.39 0.00 0.00 0.00 175.02 173.38 1wfk n GLU 9 N 6.20 0.41 -3.87 3.16 4.71 -1.26 -4.87 120.64 125.12 1wfk n GLU 9 Ca 0.33 0.33 -0.34 0.00 -0.01 0.00 0.00 57.16 57.47 1wfk n GLU 9 Cb 0.45 -1.41 -0.13 0.00 -1.01 0.00 0.00 31.44 29.34 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1wfk s SER 10 N -5.49 5.05 0.47 1.62 0.01 -1.26 -5.08 113.70 109.02 1wfk s SER 10 Ca -0.18 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.12 1wfk s SER 10 Cb 0.03 -1.75 -0.00 0.00 0.21 0.00 0.00 66.02 64.50 1wfk s SER 10 CO 0.27 -0.45 0.02 0.54 0.41 0.00 0.00 173.24 174.03 1wfk n ARG 11 N 4.49 0.81 -3.32 12.44 1.74 -1.26 -2.48 116.66 129.08 1wfk n ARG 11 Ca -0.02 -3.47 -0.36 0.00 -0.77 0.00 0.00 57.85 53.22 1wfk n ARG 11 Cb 0.42 1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 32.84 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 1.03 1.42 0.00 0.00 4.19 0.12 -1.96 117.16 121.96 1wfk n TYR 13 Ca -0.06 -0.88 0.00 0.00 3.31 0.00 0.00 57.90 60.27 1wfk n TYR 13 Cb 0.51 -0.50 0.00 0.00 0.49 0.00 0.00 39.34 39.85 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 -0.08 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.91 1wfk n GLY 14 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.86 -0.14 -2.67 0.00 0.00 -0.83 -4.96 120.51 111.05 1wfk n ALA 16 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1wfk n ALA 16 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.26 4.78 0.16 0.00 0.11 -1.26 -4.50 120.40 117.42 1wfk s VAL 17 Ca 0.00 1.91 -0.31 0.00 -2.93 0.00 0.00 61.98 60.64 1wfk s VAL 17 Cb 0.00 -4.26 -0.11 0.00 -1.53 0.00 0.00 36.38 30.49 1wfk s VAL 17 CO 0.00 -0.05 1.69 -0.75 -3.33 0.00 0.00 175.10 172.66 1wfk s LYS 18 N 2.48 4.16 -0.06 1.54 2.20 -1.26 -2.27 119.74 126.52 1wfk s LYS 18 Ca 0.44 2.50 -0.30 0.00 -0.36 0.00 0.00 55.97 58.25 1wfk s LYS 18 Cb -0.17 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1wfk s LYS 18 CO 0.12 -0.73 1.38 -0.06 -0.36 0.00 0.00 175.35 175.71 1wfk s PHE 19 N 1.67 2.73 0.29 4.03 0.08 -1.03 -4.80 117.98 120.95 1wfk s PHE 19 Ca 0.75 0.80 0.04 0.00 0.12 0.00 0.00 56.93 58.64 1wfk s PHE 19 Cb -0.46 -3.63 -0.03 0.00 -0.57 0.00 0.00 43.02 38.32 1wfk s PHE 19 CO 0.33 -2.36 0.22 0.95 -0.10 0.00 0.00 175.22 174.26 1wfk s THR 20 N 2.99 0.03 0.32 0.64 -4.23 0.26 -4.93 115.64 110.72 1wfk s THR 20 Ca 0.62 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1wfk s THR 20 Cb -0.28 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.43 1wfk s THR 20 CO 0.23 0.00 1.60 -0.07 -0.54 0.00 0.00 174.62 175.84 1wfk h LEU 21 N 2.30 -0.07 0.02 4.79 3.38 -1.99 0.73 115.31 124.45 1wfk h LEU 21 Ca -0.29 0.25 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 1wfk h LEU 21 Cb 1.24 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1wfk h LEU 21 CO 0.43 -0.32 -1.14 -0.26 0.09 0.00 0.00 178.44 177.24 1wfk h PHE 22 N 0.07 0.53 -3.51 1.13 -1.00 -1.97 -3.40 116.94 108.78 1wfk h PHE 22 Ca 0.67 -0.35 -0.72 0.00 2.81 0.00 0.00 57.97 60.38 1wfk h PHE 22 Cb 1.54 -0.04 -0.32 0.00 3.61 0.00 0.00 35.95 40.75 1wfk h PHE 22 CO -0.27 1.23 -0.30 0.21 -1.61 0.00 0.00 178.31 177.57 1wfk s LYS 23 N -2.87 2.69 0.97 1.51 2.47 0.25 -5.08 119.74 119.69 1wfk s LYS 23 Ca -0.05 -2.21 -0.12 0.00 -1.56 0.00 0.00 55.97 52.03 1wfk s LYS 23 Cb 0.08 -3.92 0.17 0.00 -1.46 0.00 0.00 37.83 32.70 1wfk s LYS 23 CO 0.88 -1.20 1.08 0.15 0.16 0.00 0.00 175.35 176.43 1wfk s LYS 24 N 0.54 0.65 -0.17 4.03 -0.14 -1.18 0.88 119.74 124.36 1wfk s LYS 24 Ca 0.13 0.89 -0.05 0.00 -1.36 0.00 0.00 55.97 55.58 1wfk s LYS 24 Cb -0.20 -1.73 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 1wfk s LYS 24 CO -0.04 -2.68 0.00 -2.00 -0.76 0.00 0.00 175.35 169.87 1wfk s GLU 25 N -4.79 3.79 0.30 1.68 2.12 -1.26 -4.03 118.70 116.50 1wfk s GLU 25 Ca 0.65 -0.45 0.11 0.00 0.36 0.00 0.00 54.97 55.63 1wfk s GLU 25 Cb -0.20 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1wfk s GLU 25 CO 0.59 0.25 -0.11 0.71 -0.54 0.00 0.00 175.26 176.16 1wfk s TYR 26 N 0.37 2.43 0.05 5.30 1.51 0.23 -4.94 117.35 122.30 1wfk s TYR 26 Ca -0.01 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1wfk s TYR 26 Cb -0.13 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1wfk s TYR 26 CO 0.02 0.63 -0.17 0.20 -1.11 0.00 0.00 175.55 175.13 1wfk s GLY 27 N -3.60 0.94 0.45 0.71 0.00 -1.26 -0.45 107.32 104.11 1wfk s GLY 27 Ca 0.32 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1wfk s GLY 27 CO 0.17 -0.92 0.66 0.00 0.00 0.00 0.00 173.10 173.00 1wfk n LYS 29 N -2.06 0.36 0.00 0.00 4.76 -1.26 -3.94 118.16 116.03 1wfk n LYS 29 Ca 0.02 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1wfk n LYS 29 Cb 0.58 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 0.01 4.39 5.15 -1.26 -4.15 115.26 116.42 1wfk n ASN 30 Ca -0.26 0.68 -0.11 0.00 -0.60 0.00 0.00 54.58 54.29 1wfk n ASN 30 Cb 0.77 -0.36 0.03 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.42 0.67 3.62 0.00 0.00 -1.25 -5.06 105.19 103.59 1wfk n GLY 32 Ca -0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 2.00 -0.12 1.61 0.52 -1.26 -4.83 118.95 112.29 1wfk s ARG 33 Ca 0.01 -1.89 -0.23 0.00 -0.52 0.00 0.00 55.73 53.10 1wfk s ARG 33 Cb -0.00 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1wfk s ARG 33 CO 0.02 0.07 0.71 0.00 0.02 0.00 0.00 175.30 176.12 1wfk s ALA 34 N -2.60 3.43 0.12 2.13 0.00 -1.26 -1.46 121.76 122.13 1wfk s ALA 34 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1wfk s ALA 34 Cb 0.03 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1wfk s ALA 34 CO 0.19 -0.34 -0.08 -0.06 0.00 0.00 0.00 175.76 175.47 1wfk s PHE 35 N 1.39 1.02 -0.01 0.00 0.08 0.41 0.11 117.98 120.98 1wfk s PHE 35 Ca 0.35 -0.87 -0.13 0.00 0.12 0.00 0.00 56.93 56.41 1wfk s PHE 35 Cb -0.17 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1wfk s PHE 35 CO 0.15 -0.08 0.36 0.00 -0.10 0.00 0.00 175.22 175.55 1wfk n ASN 37 N 1.75 0.14 -0.01 0.00 5.15 -1.26 0.23 115.26 121.27 1wfk n ASN 37 Ca -0.14 0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 54.54 1wfk n ASN 37 Cb 0.53 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 39.30 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 0.11 1.33 8.20 0.00 -1.93 -3.22 103.07 107.57 1wfk h GLY 38 Ca 0.49 -0.06 -0.31 0.00 0.00 0.00 0.00 47.33 47.45 1wfk h GLY 38 CO -0.31 0.06 -1.33 0.00 0.00 0.00 0.00 176.54 174.96 1wfk n LEU 40 N -3.72 8.21 -1.06 0.00 7.94 0.91 -2.35 117.00 126.93 1wfk n LEU 40 Ca -0.14 -4.77 -0.03 0.00 -1.11 0.00 0.00 56.01 49.96 1wfk n LEU 40 Cb 1.04 -1.40 0.15 0.00 0.53 0.00 0.00 43.42 43.73 1wfk n LEU 40 CO 0.58 2.07 0.30 -1.54 -1.11 0.00 0.00 177.39 177.68 1wfk n SER 41 N 2.12 2.62 -4.25 1.96 3.41 -1.22 -4.70 113.62 113.56 1wfk n SER 41 Ca 0.66 -3.79 -0.14 0.00 -0.26 0.00 0.00 58.87 55.34 1wfk n SER 41 Cb 0.24 -0.47 -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 -3.26 1.25 0.00 7.33 0.40 -1.13 -5.04 117.98 117.53 1wfk s PHE 42 Ca 0.42 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1wfk s PHE 42 Cb 0.38 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1wfk s PHE 42 CO -0.04 0.01 -0.04 -1.12 0.70 0.00 0.00 175.22 174.73 1wfk s SER 43 N -3.17 0.50 -0.17 1.36 0.01 -1.26 0.11 113.70 111.08 1wfk s SER 43 Ca 0.18 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.02 1wfk s SER 43 Cb 0.04 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.31 1wfk s SER 43 CO 0.01 0.01 0.80 0.00 0.41 0.00 0.00 173.24 174.47 1wfk s ALA 44 N -0.27 -1.83 -0.13 1.44 0.00 -0.71 -4.88 121.76 115.37 1wfk s ALA 44 Ca -0.00 1.66 -0.37 0.00 0.00 0.00 0.00 51.96 53.26 1wfk s ALA 44 Cb -0.03 -0.69 -0.14 0.00 0.00 0.00 0.00 23.12 22.27 1wfk s ALA 44 CO -0.00 -0.33 1.78 1.28 0.00 0.00 0.00 175.76 178.49 1wfk n LEU 45 N 1.61 2.93 -4.55 0.00 4.77 -1.26 -2.78 117.00 117.73 1wfk n LEU 45 Ca -0.15 1.03 -0.36 0.00 -0.03 0.00 0.00 56.01 56.49 1wfk n LEU 45 Cb 0.56 -1.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.26 1wfk n LEU 45 CO 0.13 -0.26 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.00 1wfk s VAL 46 N 3.46 4.75 -2.00 4.08 1.01 -0.36 -4.76 120.40 126.57 1wfk s VAL 46 Ca 0.93 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.99 1wfk s VAL 46 Cb -0.85 -3.21 0.32 0.00 0.00 0.00 0.00 36.38 32.65 1wfk s VAL 46 CO 0.56 0.36 1.10 -0.81 0.00 0.00 0.00 175.10 176.30 1wfk n PRO 47 N 4.50 0.49 -0.09 2.72 -0.04 -1.26 0.58 135.00 141.90 1wfk n PRO 47 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1wfk n PRO 47 Cb 0.52 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.86 1.09 -1.05 0.54 1.74 -1.26 -4.42 116.66 112.45 1wfk n ARG 48 Ca 0.08 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 1wfk n ARG 48 Cb 0.04 -1.45 0.22 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.68 4.95 -2.29 7.54 0.00 -0.97 -4.89 120.51 122.18 1wfk n ALA 49 Ca -0.29 -2.82 -0.02 0.00 0.00 0.00 0.00 53.44 50.30 1wfk n ALA 49 Cb 1.07 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.91 0.44 4.12 0.00 0.00 -1.19 -3.91 105.19 103.74 1wfk n GLY 50 Ca 0.48 -0.44 -0.30 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 -0.74 -0.18 -4.59 1.61 4.13 0.20 -4.93 115.26 110.75 1wfk n ASN 51 Ca -0.03 -1.16 -0.34 0.00 1.68 0.00 0.00 54.58 54.74 1wfk n ASN 51 Cb 0.52 -2.29 -0.11 0.00 -1.54 0.00 0.00 39.78 36.36 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 -4.11 3.79 -0.88 3.41 -4.23 -1.16 -4.58 115.64 107.87 1wfk s THR 52 Ca 0.06 -0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 59.87 1wfk s THR 52 Cb -0.03 -2.56 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 1wfk s THR 52 CO 0.95 0.60 2.09 -1.58 -0.54 0.00 0.00 174.62 176.14 1wfk s GLN 53 N -0.77 2.23 0.22 3.99 0.74 -1.26 -1.23 119.66 123.59 1wfk s GLN 53 Ca 0.12 -0.07 0.07 0.00 0.05 0.00 0.00 55.36 55.52 1wfk s GLN 53 Cb -0.11 -4.98 -0.04 0.00 1.10 0.00 0.00 33.01 28.98 1wfk s GLN 53 CO 0.02 -3.77 0.14 -0.65 -0.55 0.00 0.00 175.29 170.48 1wfk s GLN 54 N 7.61 2.81 -0.33 1.67 -1.52 -1.12 -4.72 119.66 124.07 1wfk s GLN 54 Ca 0.77 -1.04 -0.28 0.00 -1.95 0.00 0.00 55.36 52.86 1wfk s GLN 54 Cb -0.08 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.15 1wfk s GLN 54 CO 0.03 0.43 1.94 0.15 -0.25 0.00 0.00 175.29 177.58 1wfk s LYS 55 N -3.54 3.18 0.29 2.91 -0.14 -1.26 -1.74 119.74 119.43 1wfk s LYS 55 Ca 0.32 1.53 0.10 0.00 -1.36 0.00 0.00 55.97 56.56 1wfk s LYS 55 Cb -0.08 -4.27 -0.05 0.00 -1.68 0.00 0.00 37.83 31.74 1wfk s LYS 55 CO 0.23 -2.05 -0.06 0.14 -0.76 0.00 0.00 175.35 172.85 1wfk s VAL 56 N 7.66 2.90 0.62 3.17 -7.23 0.30 -4.15 120.40 123.67 1wfk s VAL 56 Ca 0.85 -2.09 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 1wfk s VAL 56 Cb -0.24 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1wfk s VAL 56 CO 0.33 -0.33 1.08 0.00 -0.31 0.00 0.00 175.10 175.86 1wfk n LYS 58 N -2.16 -0.16 0.00 0.00 3.00 -0.99 -0.84 118.16 117.02 1wfk n LYS 58 Ca 0.09 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 1wfk n LYS 58 Cb 0.52 -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 -3.77 0.00 -0.38 1.64 7.27 -1.26 -1.33 117.38 119.55 1wfk n GLN 59 Ca 0.01 0.71 -0.04 0.00 0.07 0.00 0.00 57.00 57.75 1wfk n GLN 59 Cb 0.09 -1.20 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 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 0.00 0.53 0.13 0.00 -0.00 0.24 0.42 115.15 116.46 1wfk h HIS 61 Ca 0.27 0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.34 1wfk h HIS 61 Cb 0.51 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1wfk h HIS 61 CO -0.89 -0.09 -1.66 1.15 -0.00 0.00 0.00 177.93 176.44 1wfk h THR 62 N 0.19 1.01 0.13 6.26 2.02 0.31 -3.18 112.91 119.64 1wfk h THR 62 Ca 0.72 -2.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1wfk h THR 62 Cb 2.19 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 71.31 1wfk h THR 62 CO -0.34 0.81 -0.06 0.40 0.37 0.00 0.00 175.52 176.70 1wfk h ILE 63 N 0.07 0.92 -0.07 3.11 2.04 0.33 0.60 117.51 124.51 1wfk h ILE 63 Ca -0.30 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1wfk h ILE 63 Cb 2.04 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1wfk h ILE 63 CO 0.15 0.04 0.04 -0.07 0.00 0.00 0.00 178.15 178.31 1wfk h LEU 64 N -0.25 0.06 -0.94 1.44 3.38 -0.85 -1.37 115.31 116.78 1wfk h LEU 64 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1wfk h LEU 64 Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1wfk h LEU 64 CO 0.03 0.05 -0.07 0.71 0.09 0.00 0.00 178.44 179.25 1wfk h THR 65 N 0.08 1.24 0.76 0.22 1.35 -1.51 -3.23 112.91 111.82 1wfk h THR 65 Ca 0.03 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 1wfk h THR 65 Cb -0.00 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1wfk h THR 65 CO -0.02 0.36 -0.37 0.03 -0.25 0.00 0.00 175.52 175.28 1wfk h ARG 66 N 0.64 -0.99 -4.22 4.72 3.08 0.57 -3.49 114.38 114.69 1wfk h ARG 66 Ca 0.12 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1wfk h ARG 66 Cb 0.50 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1wfk h ARG 66 CO 0.03 -0.66 -0.88 0.41 -1.07 0.00 0.00 179.97 177.79 1wfk n GLY 67 N -1.38 -5.38 3.26 0.04 0.00 -0.55 -5.08 105.19 96.09 1wfk n GLY 67 Ca -0.13 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1wfk n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfk s SER 68 N -0.50 -0.22 -0.03 1.61 1.04 -1.26 -5.12 113.70 109.21 1wfk s SER 68 Ca 0.00 0.12 -0.38 0.00 0.48 0.00 0.00 55.95 56.18 1wfk s SER 68 Cb 0.00 0.32 -0.16 0.00 0.10 0.00 0.00 66.02 66.28 1wfk s SER 68 CO 0.00 -0.46 1.50 -1.20 0.98 0.00 0.00 173.24 174.06 1wfk n SER 69 N 1.25 2.00 -4.43 7.02 7.64 -1.26 -4.96 113.62 120.87 1wfk n SER 69 Ca -0.21 1.10 -0.28 0.00 1.01 0.00 0.00 58.87 60.48 1wfk n SER 69 Cb 0.56 -1.19 -0.12 0.00 -1.01 0.00 0.00 64.21 62.45 1wfk n SER 69 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wfk s ASP 70 N 1.61 3.53 0.75 6.43 1.01 -1.26 -5.12 116.67 123.62 1wfk s ASP 70 Ca 0.89 -0.75 -0.15 0.00 0.71 0.00 0.00 52.55 53.25 1wfk s ASP 70 Cb -0.97 -0.33 0.03 0.00 1.01 0.00 0.00 42.92 42.66 1wfk s ASP 70 CO 0.53 0.15 1.07 -3.20 0.21 0.00 0.00 175.17 173.93 1wfk n ASN 71 N 0.56 0.79 -4.30 0.27 5.15 -1.26 -4.95 115.26 111.52 1wfk n ASN 71 Ca -0.15 0.65 -0.32 0.00 -0.60 0.00 0.00 54.58 54.16 1wfk n ASN 71 Cb 0.54 -1.45 0.19 0.00 -0.53 0.00 0.00 39.78 38.52 1wfk n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfk n ALA 72 N -2.73 -4.03 -2.48 5.20 0.00 -1.26 -5.04 120.51 110.16 1wfk n ALA 72 Ca 0.13 -1.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.05 1wfk n ALA 72 Cb 0.50 -1.58 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 1wfk n ALA 72 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wfk s SER 73 N -1.91 2.80 0.17 0.00 0.01 -1.26 -5.14 113.70 108.37 1wfk s SER 73 Ca 0.58 -1.33 -0.24 0.00 1.31 0.00 0.00 55.95 56.27 1wfk s SER 73 Cb -0.13 -0.18 -0.08 0.00 0.21 0.00 0.00 66.02 65.84 1wfk s SER 73 CO 0.66 -0.51 0.75 -0.54 0.41 0.00 0.00 173.24 174.01 1wfk s LYS 74 N -3.81 4.47 0.04 12.44 -0.14 -1.26 -5.05 119.74 126.43 1wfk s LYS 74 Ca 0.35 1.06 -0.23 0.00 -1.36 0.00 0.00 55.97 55.79 1wfk s LYS 74 Cb 0.08 -3.18 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1wfk s LYS 74 CO 0.15 0.54 0.69 -0.46 -0.76 0.00 0.00 175.35 175.52 1wfk s TRP 75 N -1.22 3.74 0.02 3.18 -0.00 -1.26 -5.07 118.94 118.33 1wfk s TRP 75 Ca 0.36 1.38 -0.01 0.00 -0.00 0.00 0.00 56.10 57.84 1wfk s TRP 75 Cb -0.21 -2.72 -0.02 0.00 -0.00 0.00 0.00 33.47 30.52 1wfk s TRP 75 CO 0.24 0.35 -0.01 -1.54 -0.00 0.00 0.00 176.95 176.00 1wfk s SER 76 N -0.30 0.22 0.62 5.86 1.04 -1.26 -5.16 113.70 114.72 1wfk s SER 76 Ca 0.35 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 1wfk s SER 76 Cb -0.20 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1wfk s SER 76 CO 0.21 -0.32 1.12 -2.16 0.98 0.00 0.00 173.24 173.07 1wfk s PRO 77 N -1.52 2.98 0.66 4.02 0.04 -1.26 -5.02 135.00 134.90 1wfk s PRO 77 Ca -0.15 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 1wfk s PRO 77 Cb -0.09 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wfk s PRO 77 CO -0.01 -1.12 1.11 -1.25 0.04 0.00 0.00 177.00 175.77 1wfk s PRO 78 N -3.84 2.82 0.86 0.56 0.04 -1.26 -5.01 135.00 129.17 1wfk s PRO 78 Ca 0.69 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1wfk s PRO 78 Cb -0.22 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.48 1wfk s PRO 78 CO 0.37 -1.24 1.12 -1.14 0.04 0.00 0.00 177.00 176.15 1wfk s GLN 79 N -4.08 1.51 -1.27 4.56 0.74 -1.26 -3.74 119.66 116.13 1wfk s GLN 79 Ca 0.67 1.33 -0.00 0.00 0.05 0.00 0.00 55.36 57.41 1wfk s GLN 79 Cb -0.21 -1.80 0.00 0.00 1.10 0.00 0.00 33.01 32.11 1wfk s GLN 79 CO 0.41 -2.22 0.83 0.09 -0.55 0.00 0.00 175.29 173.85 1wfk n ASN 80 N -3.93 -1.60 -4.83 6.67 3.02 -1.26 -4.99 115.26 108.33 1wfk n ASN 80 Ca 0.10 -0.74 -0.23 0.00 -0.03 0.00 0.00 54.58 53.68 1wfk n ASN 80 Cb 0.53 -4.49 0.07 0.00 -0.61 0.00 0.00 39.78 35.28 1wfk n ASN 80 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1wfk s TYR 81 N -3.54 2.43 -0.12 3.10 5.04 -1.25 -5.05 117.35 117.96 1wfk s TYR 81 Ca 0.02 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.57 1wfk s TYR 81 Cb -0.01 -3.00 -0.09 0.00 0.35 0.00 0.00 41.96 39.21 1wfk s TYR 81 CO 0.78 -1.35 0.22 -0.22 -1.34 0.00 0.00 175.55 173.64 1wfk h LYS 82 N -0.36 0.00 -4.48 4.97 3.64 -1.94 -3.44 116.57 114.96 1wfk h LYS 82 Ca -0.41 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.25 1wfk h LYS 82 Cb 1.29 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.89 1wfk h LYS 82 CO 0.50 0.36 -0.43 -1.54 -2.27 0.00 0.00 179.45 176.07 1wfk s SER 83 N -5.86 6.02 -0.03 4.20 1.04 -1.26 -5.01 113.70 112.81 1wfk s SER 83 Ca -0.09 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.22 1wfk s SER 83 Cb -0.00 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 64.02 1wfk s SER 83 CO 0.27 -0.47 0.48 0.61 0.98 0.00 0.00 173.24 175.11 1wfk n GLY 84 N 5.13 0.33 3.77 7.32 0.00 -1.26 -5.15 105.19 115.33 1wfk n GLY 84 Ca -0.11 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 2.58 -0.29 1.61 0.04 -1.26 -5.02 135.00 130.66 1wfk s PRO 85 Ca 0.11 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1wfk s PRO 85 Cb -0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1wfk s PRO 85 CO -0.01 -1.41 0.27 0.45 0.04 0.00 0.00 177.00 176.34 1wfk s SER 86 N -2.90 6.11 0.45 6.66 0.15 -1.26 -5.06 113.70 117.84 1wfk s SER 86 Ca 0.65 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 57.34 1wfk s SER 86 Cb -0.19 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1wfk s SER 86 CO 0.47 -0.15 0.10 -0.94 1.20 0.00 0.00 173.24 173.93 1wfk s SER 87 N 1.72 4.19 0.00 5.45 1.04 -1.26 -5.31 113.70 119.52 1wfk s SER 87 Ca 0.10 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1wfk s SER 87 Cb -0.16 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1wfk s SER 87 CO 0.11 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.29