#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 4.31 -0.07 1.61 1.04 -1.26 -5.05 113.70 114.29 1wfk s SER 2 Ca 0.00 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.47 1wfk s SER 2 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wfk s SER 2 CO 0.00 -2.17 -0.21 -0.94 0.98 0.00 0.00 173.24 170.90 1wfk s SER 3 N -2.92 2.65 -0.24 7.02 1.04 -1.26 -5.12 113.70 114.87 1wfk s SER 3 Ca 0.65 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.51 1wfk s SER 3 Cb -0.20 -0.96 0.09 0.00 0.10 0.00 0.00 66.02 65.04 1wfk s SER 3 CO 0.52 0.16 0.57 -0.83 0.98 0.00 0.00 173.24 174.64 1wfk s GLY 4 N 0.18 -0.53 -0.17 7.32 0.00 -1.26 -5.14 107.32 107.72 1wfk s GLY 4 Ca -0.10 2.04 -0.00 0.00 0.00 0.00 0.00 44.72 46.65 1wfk s GLY 4 CO 0.05 2.34 -0.06 -0.56 0.00 0.00 0.00 173.10 174.87 1wfk s SER 5 N 1.96 2.85 -0.11 1.64 0.01 -1.26 -5.10 113.70 113.70 1wfk s SER 5 Ca -0.08 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.49 1wfk s SER 5 Cb -0.08 -0.96 0.05 0.00 0.21 0.00 0.00 66.02 65.24 1wfk s SER 5 CO -0.17 -0.17 0.14 -0.44 0.41 0.00 0.00 173.24 173.01 1wfk s SER 6 N 1.60 1.18 0.00 2.44 0.01 -1.26 -5.04 113.70 112.63 1wfk s SER 6 Ca 0.01 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1wfk s SER 6 Cb -0.15 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1wfk s SER 6 CO -0.08 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wfk n GLY 7 N 5.31 0.07 3.54 3.44 0.00 -1.26 -5.09 105.19 111.20 1wfk n GLY 7 Ca -0.05 -0.08 -0.54 0.00 0.00 0.00 0.00 46.02 45.35 1wfk n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wfk n MET 8 N 0.00 1.07 0.02 1.61 -0.00 -1.26 -4.76 117.12 113.80 1wfk n MET 8 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.70 58.05 1wfk n MET 8 Cb 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 33.22 30.98 1wfk n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1wfk n GLU 9 N 6.96 0.00 -3.62 3.17 -0.58 -1.26 -4.99 120.64 120.32 1wfk n GLU 9 Ca 0.36 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.70 1wfk n GLU 9 Cb 0.17 -0.36 -0.09 0.00 -0.57 0.00 0.00 31.44 30.58 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wfk s SER 10 N -5.19 5.56 0.28 1.62 0.01 -1.26 -5.06 113.70 109.67 1wfk s SER 10 Ca 0.00 -1.97 0.02 0.00 1.31 0.00 0.00 55.95 55.31 1wfk s SER 10 Cb 0.00 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 1wfk s SER 10 CO 0.00 -0.64 0.06 0.54 0.41 0.00 0.00 173.24 173.61 1wfk n ARG 11 N 4.79 0.89 -3.19 12.44 1.74 -1.26 -2.99 116.66 129.08 1wfk n ARG 11 Ca -0.06 -2.24 -0.35 0.00 -0.77 0.00 0.00 57.85 54.43 1wfk n ARG 11 Cb 0.41 0.99 -0.06 0.00 -1.02 0.00 0.00 32.46 32.78 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 0.52 1.49 0.00 0.00 4.19 0.15 -2.02 117.16 121.49 1wfk n TYR 13 Ca -0.02 -0.95 0.00 0.00 3.31 0.00 0.00 57.90 60.24 1wfk n TYR 13 Cb 0.52 -0.53 0.00 0.00 0.49 0.00 0.00 39.34 39.82 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 -0.15 0.00 0.00 2.98 0.00 -1.26 -4.91 105.19 101.85 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 -0.91 -0.13 -1.80 0.00 0.00 -0.86 -4.96 120.51 111.85 1wfk n ALA 16 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1wfk n ALA 16 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.25 4.19 -0.13 0.00 0.11 -1.26 -4.48 120.40 116.59 1wfk s VAL 17 Ca 0.00 1.53 -0.21 0.00 -2.93 0.00 0.00 61.98 60.38 1wfk s VAL 17 Cb 0.00 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1wfk s VAL 17 CO 0.00 -0.13 0.60 -0.75 -3.33 0.00 0.00 175.10 171.49 1wfk s LYS 18 N -2.76 4.33 0.13 1.54 2.20 -1.26 0.84 119.74 124.77 1wfk s LYS 18 Ca 0.58 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.54 1wfk s LYS 18 Cb -0.14 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1wfk s LYS 18 CO 0.19 0.00 1.22 -0.06 -0.36 0.00 0.00 175.35 176.34 1wfk s PHE 19 N 1.09 3.41 0.19 4.03 0.08 -1.16 -4.87 117.98 120.76 1wfk s PHE 19 Ca 0.31 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.71 1wfk s PHE 19 Cb -0.16 -3.45 -0.01 0.00 -0.57 0.00 0.00 43.02 38.82 1wfk s PHE 19 CO 0.13 -1.36 0.19 0.25 -0.10 0.00 0.00 175.22 174.34 1wfk n THR 20 N 3.22 0.00 -0.28 0.64 -2.24 0.17 -4.95 114.28 110.84 1wfk n THR 20 Ca 0.07 -1.31 0.06 0.00 -2.27 0.00 0.00 64.05 60.60 1wfk n THR 20 Cb 0.45 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 69.57 1wfk n THR 20 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wfk h LEU 21 N 0.00 0.45 0.09 3.22 4.07 -2.00 -1.53 115.31 119.61 1wfk h LEU 21 Ca -0.14 0.09 -0.28 0.00 0.08 0.00 0.00 57.88 57.63 1wfk h LEU 21 Cb 0.69 0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.47 1wfk h LEU 21 CO 0.20 0.19 -1.23 -0.26 -1.08 0.00 0.00 178.44 176.27 1wfk h PHE 22 N 0.57 0.63 -3.38 1.13 -1.00 -1.98 -3.41 116.94 109.50 1wfk h PHE 22 Ca 0.43 -0.43 -0.74 0.00 2.81 0.00 0.00 57.97 60.04 1wfk h PHE 22 Cb 0.61 -0.04 -0.28 0.00 3.61 0.00 0.00 35.95 39.85 1wfk h PHE 22 CO -0.12 1.32 -0.25 0.21 -1.61 0.00 0.00 178.31 177.86 1wfk s LYS 23 N -2.78 2.84 0.84 1.51 2.47 -0.58 -5.07 119.74 118.96 1wfk s LYS 23 Ca -0.05 -1.98 -0.11 0.00 -1.56 0.00 0.00 55.97 52.26 1wfk s LYS 23 Cb 0.07 -4.10 0.10 0.00 -1.46 0.00 0.00 37.83 32.44 1wfk s LYS 23 CO 0.89 -1.24 1.09 0.15 0.16 0.00 0.00 175.35 176.40 1wfk s LYS 24 N 1.01 1.72 -0.15 4.03 -0.14 -1.22 0.45 119.74 125.44 1wfk s LYS 24 Ca 0.09 0.97 -0.05 0.00 -1.36 0.00 0.00 55.97 55.62 1wfk s LYS 24 Cb -0.23 -1.85 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 1wfk s LYS 24 CO -0.02 -1.96 0.03 -2.00 -0.76 0.00 0.00 175.35 170.64 1wfk s GLU 25 N -4.93 3.69 0.29 1.68 -6.30 -1.26 -4.14 118.70 107.74 1wfk s GLU 25 Ca 0.62 -0.40 0.10 0.00 -2.50 0.00 0.00 54.97 52.79 1wfk s GLU 25 Cb -0.17 -3.05 -0.05 0.00 0.00 0.00 0.00 34.13 30.86 1wfk s GLU 25 CO 0.56 0.36 0.00 0.71 0.02 0.00 0.00 175.26 176.92 1wfk s TYR 26 N 0.08 2.64 0.06 5.30 1.51 0.19 -4.98 117.35 122.15 1wfk s TYR 26 Ca 0.03 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1wfk s TYR 26 Cb -0.13 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1wfk s TYR 26 CO 0.01 0.57 -0.18 0.20 -1.11 0.00 0.00 175.55 175.04 1wfk s GLY 27 N -3.69 1.04 0.33 0.71 0.00 -1.26 -0.49 107.32 103.95 1wfk s GLY 27 Ca 0.33 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1wfk s GLY 27 CO 0.20 -1.00 0.51 0.00 0.00 0.00 0.00 173.10 172.80 1wfk n LYS 29 N -1.71 0.58 0.00 0.00 4.76 -1.26 -3.57 118.16 116.95 1wfk n LYS 29 Ca -0.05 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.57 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 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 -3.61 0.00 0.05 4.39 5.15 -1.26 -4.02 115.26 115.96 1wfk n ASN 30 Ca -0.46 0.66 -0.07 0.00 -0.60 0.00 0.00 54.58 54.10 1wfk n ASN 30 Cb 0.91 -0.26 0.09 0.00 -0.53 0.00 0.00 39.78 39.99 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 0.29 0.43 3.66 0.00 0.00 -1.23 -5.04 105.19 103.30 1wfk n GLY 32 Ca -0.03 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.74 2.11 -0.16 1.61 0.52 -1.26 -4.79 118.95 112.23 1wfk s ARG 33 Ca 0.06 -1.82 -0.23 0.00 -0.52 0.00 0.00 55.73 53.22 1wfk s ARG 33 Cb -0.03 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 1wfk s ARG 33 CO 0.16 0.04 0.73 0.00 0.02 0.00 0.00 175.30 176.25 1wfk s ALA 34 N -2.56 3.49 0.11 2.13 0.00 -1.26 -1.42 121.76 122.25 1wfk s ALA 34 Ca 0.37 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1wfk s ALA 34 Cb 0.02 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1wfk s ALA 34 CO 0.20 -0.50 -0.09 -0.06 0.00 0.00 0.00 175.76 175.31 1wfk s PHE 35 N 1.77 1.09 0.14 0.00 0.08 0.36 0.30 117.98 121.71 1wfk s PHE 35 Ca 0.35 -0.76 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 1wfk s PHE 35 Cb -0.17 -0.58 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 1wfk s PHE 35 CO 0.13 -0.01 0.43 0.00 -0.10 0.00 0.00 175.22 175.67 1wfk n ASN 37 N 0.39 0.25 -0.19 0.00 0.23 -1.26 0.22 115.26 114.91 1wfk n ASN 37 Ca -0.04 1.39 -0.05 0.00 -0.53 0.00 0.00 54.58 55.35 1wfk n ASN 37 Cb 0.52 -0.68 0.12 0.00 -2.08 0.00 0.00 39.78 37.66 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wfk h GLY 38 N 0.00 1.05 0.18 4.83 0.00 -1.94 -3.27 103.07 103.92 1wfk h GLY 38 Ca 0.79 -0.63 -0.24 0.00 0.00 0.00 0.00 47.33 47.24 1wfk h GLY 38 CO -0.56 0.59 -1.32 0.00 0.00 0.00 0.00 176.54 175.25 1wfk n LEU 40 N -4.22 8.19 -1.09 0.00 7.94 0.19 -3.23 117.00 124.78 1wfk n LEU 40 Ca -0.30 -4.15 -0.04 0.00 -1.11 0.00 0.00 56.01 50.41 1wfk n LEU 40 Cb 0.76 -1.51 0.15 0.00 0.53 0.00 0.00 43.42 43.35 1wfk n LEU 40 CO 0.27 1.93 0.32 -1.54 -1.11 0.00 0.00 177.39 177.26 1wfk n SER 41 N 3.54 2.82 -4.19 1.96 3.41 -1.23 -4.74 113.62 115.18 1wfk n SER 41 Ca 0.73 -3.85 -0.13 0.00 -0.26 0.00 0.00 58.87 55.36 1wfk n SER 41 Cb 0.28 -0.48 -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 -3.36 1.05 -0.01 7.33 0.40 -1.13 -5.04 117.98 117.21 1wfk s PHE 42 Ca 0.43 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1wfk s PHE 42 Cb 0.39 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.35 1wfk s PHE 42 CO -0.03 -0.04 -0.05 -1.12 0.70 0.00 0.00 175.22 174.68 1wfk s SER 43 N -2.90 0.66 -0.06 1.36 0.01 -1.26 0.13 113.70 111.63 1wfk s SER 43 Ca 0.11 -0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.00 1wfk s SER 43 Cb 0.02 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.16 1wfk s SER 43 CO -0.02 0.03 0.61 0.00 0.41 0.00 0.00 173.24 174.27 1wfk s ALA 44 N 0.17 -1.58 -0.09 1.44 0.00 -0.67 -4.89 121.76 116.14 1wfk s ALA 44 Ca -0.02 1.19 -0.34 0.00 0.00 0.00 0.00 51.96 52.79 1wfk s ALA 44 Cb -0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.86 1wfk s ALA 44 CO -0.00 -0.34 1.88 1.28 0.00 0.00 0.00 175.76 178.57 1wfk n LEU 45 N 1.15 3.43 -4.53 0.00 4.77 -1.26 -2.64 117.00 117.91 1wfk n LEU 45 Ca -0.19 0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 56.40 1wfk n LEU 45 Cb 0.57 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.18 1wfk n LEU 45 CO 0.22 -0.06 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.29 1wfk s VAL 46 N 4.04 4.72 -2.00 4.08 1.01 -0.54 -4.77 120.40 126.94 1wfk s VAL 46 Ca 0.93 -0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.99 1wfk s VAL 46 Cb -0.70 -3.20 0.34 0.00 0.00 0.00 0.00 36.38 32.81 1wfk s VAL 46 CO 0.52 0.34 1.14 -0.81 0.00 0.00 0.00 175.10 176.29 1wfk n PRO 47 N 4.64 0.49 -0.11 2.72 -0.04 -1.26 0.46 135.00 141.90 1wfk n PRO 47 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1wfk n PRO 47 Cb 0.52 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.88 0.76 -0.82 0.54 1.74 -1.26 -4.38 116.66 112.36 1wfk n ARG 48 Ca 0.09 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1wfk n ARG 48 Cb 0.04 -1.48 0.30 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.96 4.00 -1.73 7.54 0.00 -1.03 -4.88 120.51 121.45 1wfk n ALA 49 Ca -0.37 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1wfk n ALA 49 Cb 1.03 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 0.21 0.46 4.17 0.00 0.00 -1.18 -4.16 105.19 104.70 1wfk n GLY 50 Ca 0.29 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.88 -0.80 -4.44 1.61 4.13 0.17 -4.94 115.26 110.11 1wfk n ASN 51 Ca 0.00 -1.23 -0.33 0.00 1.68 0.00 0.00 54.58 54.71 1wfk n ASN 51 Cb 0.44 -1.94 -0.14 0.00 -1.54 0.00 0.00 39.78 36.60 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 -4.06 2.98 -0.88 3.41 -4.23 -1.16 -4.64 115.64 107.06 1wfk s THR 52 Ca 0.15 -0.74 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1wfk s THR 52 Cb -0.08 -2.17 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 1wfk s THR 52 CO 0.97 0.58 2.10 -1.58 -0.54 0.00 0.00 174.62 176.15 1wfk s GLN 53 N -0.50 2.21 0.26 3.99 0.74 -1.26 -1.46 119.66 123.64 1wfk s GLN 53 Ca 0.07 -0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.49 1wfk s GLN 53 Cb -0.12 -4.97 -0.04 0.00 1.10 0.00 0.00 33.01 28.98 1wfk s GLN 53 CO 0.02 -3.79 0.18 -0.65 -0.55 0.00 0.00 175.29 170.50 1wfk s GLN 54 N 7.64 2.83 -0.43 1.67 -1.52 -1.08 -4.71 119.66 124.05 1wfk s GLN 54 Ca 0.78 -1.12 -0.27 0.00 -1.95 0.00 0.00 55.36 52.79 1wfk s GLN 54 Cb -0.09 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.17 1wfk s GLN 54 CO 0.03 0.37 1.92 0.15 -0.25 0.00 0.00 175.29 177.51 1wfk s LYS 55 N -3.84 2.93 0.38 2.91 -0.14 -1.26 -1.68 119.74 119.05 1wfk s LYS 55 Ca 0.33 1.20 0.08 0.00 -1.36 0.00 0.00 55.97 56.22 1wfk s LYS 55 Cb -0.07 -4.32 -0.04 0.00 -1.68 0.00 0.00 37.83 31.71 1wfk s LYS 55 CO 0.24 -2.34 0.18 0.14 -0.76 0.00 0.00 175.35 172.82 1wfk s VAL 56 N 8.37 2.62 0.52 3.17 -7.23 0.34 -4.25 120.40 123.94 1wfk s VAL 56 Ca 0.79 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 1wfk s VAL 56 Cb -0.19 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.69 1wfk s VAL 56 CO 0.29 -0.07 0.99 0.00 -0.31 0.00 0.00 175.10 175.99 1wfk n LYS 58 N -1.62 -0.13 0.00 0.00 3.00 -1.20 -0.37 118.16 117.84 1wfk n LYS 58 Ca 0.07 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1wfk n LYS 58 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 -3.62 0.00 -0.31 1.64 7.27 -1.26 -1.14 117.38 119.96 1wfk n GLN 59 Ca 0.01 0.79 -0.02 0.00 0.07 0.00 0.00 57.00 57.84 1wfk n GLN 59 Cb 0.08 -1.27 0.03 0.00 2.41 0.00 0.00 30.24 31.49 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 -0.07 0.27 0.11 0.00 -0.00 0.75 0.40 115.15 116.62 1wfk h HIS 61 Ca 0.30 0.01 -0.35 0.00 -0.00 0.00 0.00 60.37 60.33 1wfk h HIS 61 Cb 0.58 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1wfk h HIS 61 CO -0.77 -0.01 -1.91 1.15 -0.00 0.00 0.00 177.93 176.39 1wfk h THR 62 N 0.13 0.71 -0.59 6.26 2.02 0.26 -3.23 112.91 118.46 1wfk h THR 62 Ca 0.65 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.36 1wfk h THR 62 Cb 2.24 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 71.16 1wfk h THR 62 CO -0.15 0.84 0.21 0.40 0.37 0.00 0.00 175.52 177.18 1wfk h ILE 63 N 0.07 1.22 0.00 3.11 2.04 0.25 1.09 117.51 125.29 1wfk h ILE 63 Ca -0.39 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1wfk h ILE 63 Cb 2.04 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1wfk h ILE 63 CO 0.10 0.28 -0.03 -0.07 0.00 0.00 0.00 178.15 178.43 1wfk h LEU 64 N 0.85 0.00 0.00 1.44 3.38 -0.51 -2.94 115.31 117.54 1wfk h LEU 64 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1wfk h LEU 64 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wfk h LEU 64 CO -0.01 0.03 -1.94 0.35 0.09 0.00 0.00 178.44 176.95 1wfk n THR 65 N -3.11 0.32 0.06 0.22 -2.24 -0.73 -4.33 114.28 104.47 1wfk n THR 65 Ca 0.03 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.07 1wfk n THR 65 Cb 0.47 -0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.54 -6.18 -0.78 0.11 0.12 -3.49 114.38 104.70 1wfk h ARG 66 Ca -0.09 -0.60 -0.38 0.00 0.10 0.00 0.00 59.98 59.01 1wfk h ARG 66 Cb 1.22 0.17 0.01 0.00 1.11 0.00 0.00 29.97 32.48 1wfk h ARG 66 CO 0.01 1.22 -1.01 0.41 0.10 0.00 0.00 179.97 180.70 1wfk n GLY 67 N 1.05 -0.41 0.45 0.08 0.00 -1.11 -4.93 105.19 100.33 1wfk n GLY 67 Ca -0.09 0.78 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.98 1.63 -4.61 1.61 7.64 -1.26 -4.94 113.62 112.70 1wfk n SER 68 Ca -0.17 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 1wfk n SER 68 Cb 0.59 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1wfk n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfk s SER 69 N -5.95 6.75 -0.24 6.43 0.15 -1.26 -4.97 113.70 114.61 1wfk s SER 69 Ca -0.18 0.70 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 1wfk s SER 69 Cb 0.03 -2.51 0.16 0.00 -1.71 0.00 0.00 66.02 61.98 1wfk s SER 69 CO 0.27 -0.97 1.19 -0.62 1.20 0.00 0.00 173.24 174.30 1wfk s ASP 70 N 1.96 -0.23 0.52 5.45 2.15 -1.26 -5.15 116.67 120.10 1wfk s ASP 70 Ca 0.43 0.34 -0.19 0.00 0.43 0.00 0.00 52.55 53.56 1wfk s ASP 70 Cb -0.11 0.30 -0.10 0.00 -0.30 0.00 0.00 42.92 42.71 1wfk s ASP 70 CO 0.21 -0.16 0.47 -3.20 -0.17 0.00 0.00 175.17 172.33 1wfk n ASN 71 N 1.13 -1.22 -4.53 -0.34 5.15 -1.26 -4.70 115.26 109.50 1wfk n ASN 71 Ca -0.08 0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 54.27 1wfk n ASN 71 Cb 0.58 -1.13 -0.06 0.00 -0.53 0.00 0.00 39.78 38.64 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 -1.42 0.99 -3.70 5.20 0.00 -1.26 -4.91 120.51 115.41 1wfk n ALA 72 Ca 0.11 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.87 1wfk n ALA 72 Cb 0.45 -2.87 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 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 9.84 0.61 0.04 0.00 0.01 -1.26 -5.15 113.70 117.80 1wfk s SER 73 Ca 1.07 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1wfk s SER 73 Cb -0.52 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 1wfk s SER 73 CO 0.37 -0.10 -0.17 -0.75 0.41 0.00 0.00 173.24 172.99 1wfk s LYS 74 N 1.09 1.13 -0.04 12.44 2.20 -1.26 -5.15 119.74 130.16 1wfk s LYS 74 Ca -0.09 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 1wfk s LYS 74 Cb -0.14 -1.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 1wfk s LYS 74 CO -0.02 0.30 -0.06 1.67 -0.36 0.00 0.00 175.35 176.88 1wfk s TRP 75 N -0.84 2.93 -0.14 4.03 1.48 -1.26 -5.11 118.94 120.02 1wfk s TRP 75 Ca 0.04 0.00 -0.10 0.00 -1.06 0.00 0.00 56.10 54.98 1wfk s TRP 75 Cb -0.08 -1.67 -0.05 0.00 -1.16 0.00 0.00 33.47 30.51 1wfk s TRP 75 CO 0.02 0.36 0.19 -1.54 -4.06 0.00 0.00 176.95 171.92 1wfk s SER 76 N -1.10 6.38 0.60 -2.66 1.04 -1.26 -5.08 113.70 111.63 1wfk s SER 76 Ca 0.15 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 1wfk s SER 76 Cb -0.11 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 1wfk s SER 76 CO 0.04 0.27 1.12 -2.16 0.98 0.00 0.00 173.24 173.49 1wfk s PRO 77 N -0.32 3.07 1.25 4.02 0.04 -1.26 -5.04 135.00 136.76 1wfk s PRO 77 Ca 0.14 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 1wfk s PRO 77 Cb -0.12 -1.98 0.31 0.00 0.04 0.00 0.00 34.50 32.75 1wfk s PRO 77 CO 0.03 -1.05 1.11 -1.25 0.04 0.00 0.00 177.00 175.88 1wfk s PRO 78 N -3.70 -1.59 -0.02 0.56 0.04 -1.26 -4.99 135.00 124.05 1wfk s PRO 78 Ca 0.70 -0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.30 1wfk s PRO 78 Cb -0.22 -1.57 -0.17 0.00 0.04 0.00 0.00 34.50 32.58 1wfk s PRO 78 CO 0.34 -3.93 1.14 1.96 0.04 0.00 0.00 177.00 176.55 1wfk h GLN 79 N -2.73 -0.24 -5.09 4.56 4.20 -2.08 -3.36 115.11 110.36 1wfk h GLN 79 Ca -0.42 0.02 -0.71 0.00 0.06 0.00 0.00 58.65 57.59 1wfk h GLN 79 Cb 1.28 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.97 1wfk h GLN 79 CO 0.29 0.14 1.48 0.54 -0.67 0.00 0.00 178.83 180.61 1wfk s ASN 80 N -5.34 6.94 -0.30 1.46 4.22 -1.26 -4.84 114.94 115.82 1wfk s ASN 80 Ca -0.14 -2.69 -0.13 0.00 -2.14 0.00 0.00 52.86 47.76 1wfk s ASN 80 Cb 0.02 -2.45 0.18 0.00 1.28 0.00 0.00 41.25 40.27 1wfk s ASN 80 CO 0.55 -0.91 1.02 -0.47 -2.04 0.00 0.00 177.10 175.25 1wfk s TYR 81 N 2.45 -0.60 0.02 1.54 5.04 -1.26 -5.17 117.35 119.37 1wfk s TYR 81 Ca 0.44 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1wfk s TYR 81 Cb -0.01 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 1wfk s TYR 81 CO 0.00 -0.32 -0.04 0.15 -1.34 0.00 0.00 175.55 174.00 1wfk s LYS 82 N 2.76 0.34 0.08 4.97 1.02 -1.26 -4.89 119.74 122.76 1wfk s LYS 82 Ca 0.00 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 1wfk s LYS 82 Cb -0.09 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 1wfk s LYS 82 CO -0.14 0.01 0.21 0.45 -0.92 0.00 0.00 175.35 174.96 1wfk s SER 83 N -1.07 0.07 1.12 2.83 0.15 -1.26 -5.17 113.70 110.37 1wfk s SER 83 Ca -0.09 -0.56 -0.10 0.00 0.70 0.00 0.00 55.95 55.90 1wfk s SER 83 Cb -0.07 0.34 0.15 0.00 -1.71 0.00 0.00 66.02 64.73 1wfk s SER 83 CO -0.00 -0.70 0.55 0.61 1.20 0.00 0.00 173.24 174.90 1wfk n GLY 84 N 0.10 -2.52 0.00 9.45 0.00 -1.26 -4.88 105.19 106.08 1wfk n GLY 84 Ca -0.16 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.11 0.36 -1.52 1.61 -0.04 -1.26 -4.78 135.00 126.26 1wfk n PRO 85 Ca 0.08 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 63.14 1wfk n PRO 85 Cb 0.29 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 1wfk n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfk n SER 86 N -1.13 2.54 -4.03 3.54 2.88 -1.26 -4.93 113.62 111.23 1wfk n SER 86 Ca 0.10 0.22 -0.17 0.00 -1.33 0.00 0.00 58.87 57.69 1wfk n SER 86 Cb 0.08 -1.40 -0.14 0.00 -0.75 0.00 0.00 64.21 62.00 1wfk n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfk s SER 87 N 8.28 0.97 0.00 -3.46 0.15 -1.26 -5.14 113.70 113.24 1wfk s SER 87 Ca 1.06 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1wfk s SER 87 Cb -0.59 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1wfk s SER 87 CO 0.41 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.47