#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk h SER 2 N 0.00 -0.60 -3.12 1.61 0.87 -2.12 -3.42 113.55 106.77 1wfk h SER 2 Ca 0.00 0.25 -0.49 0.00 -1.23 0.00 0.00 61.79 60.32 1wfk h SER 2 Cb 0.00 0.47 -0.14 0.00 -0.44 0.00 0.00 62.40 62.30 1wfk h SER 2 CO 0.00 -0.27 -0.60 -0.94 -0.53 0.00 0.00 176.83 174.49 1wfk s SER 3 N -5.18 2.50 0.00 6.23 1.04 -1.26 -5.06 113.70 111.98 1wfk s SER 3 Ca -0.14 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1wfk s SER 3 Cb 0.25 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wfk s SER 3 CO 0.76 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wfk n GLY 4 N -0.73 -0.13 3.23 7.32 0.00 -1.26 -5.18 105.19 108.44 1wfk n GLY 4 Ca -0.03 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1wfk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfk s SER 5 N 0.00 1.70 1.10 1.61 0.01 -1.26 -5.10 113.70 111.77 1wfk s SER 5 Ca 0.00 -0.97 -0.17 0.00 1.31 0.00 0.00 55.95 56.12 1wfk s SER 5 Cb 0.00 -0.00 0.12 0.00 0.21 0.00 0.00 66.02 66.34 1wfk s SER 5 CO 0.00 -0.32 0.19 -1.54 0.41 0.00 0.00 173.24 171.98 1wfk n SER 6 N -0.02 -2.23 0.00 2.44 3.41 -1.26 -4.85 113.62 111.11 1wfk n SER 6 Ca -0.12 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1wfk n SER 6 Cb 0.60 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1wfk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfk n GLY 7 N 1.82 0.53 4.14 5.00 0.00 -1.26 -4.99 105.19 110.42 1wfk n GLY 7 Ca 0.02 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1wfk n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfk n MET 8 N 0.00 -1.17 -1.49 1.61 0.00 -1.26 -4.89 117.12 109.91 1wfk n MET 8 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 57.70 57.64 1wfk n MET 8 Cb 0.00 -4.67 0.11 0.00 0.00 0.00 0.00 33.22 28.66 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 -3.74 -0.42 -1.56 0.03 -0.58 -1.26 -4.93 120.64 108.17 1wfk n GLU 9 Ca 0.10 -1.50 -0.44 0.00 -0.42 0.00 0.00 57.16 54.90 1wfk n GLU 9 Cb 0.46 -0.69 -0.04 0.00 -0.57 0.00 0.00 31.44 30.60 1wfk n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfk n SER 10 N -3.29 2.89 -3.53 1.62 3.41 -1.26 -4.93 113.62 108.52 1wfk n SER 10 Ca 0.11 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.72 1wfk n SER 10 Cb 0.37 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.81 1wfk n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wfk n ARG 11 N 8.66 1.25 -3.47 4.33 1.74 -1.26 -2.76 116.66 125.15 1wfk n ARG 11 Ca 0.34 -2.06 -0.37 0.00 -0.77 0.00 0.00 57.85 54.98 1wfk n ARG 11 Cb 0.40 0.49 -0.06 0.00 -1.02 0.00 0.00 32.46 32.27 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 1.53 1.15 0.00 0.00 4.19 0.14 -1.77 117.16 122.41 1wfk n TYR 13 Ca -0.11 -0.84 0.00 0.00 3.31 0.00 0.00 57.90 60.26 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 -0.05 0.00 0.00 2.98 0.00 -1.26 -4.92 105.19 101.94 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 -0.84 -0.15 -2.69 0.00 0.00 -0.73 -4.96 120.51 111.15 1wfk n ALA 16 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1wfk n ALA 16 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.28 4.81 0.23 0.00 0.11 -1.26 -4.49 120.40 117.52 1wfk s VAL 17 Ca 0.00 1.96 -0.31 0.00 -2.93 0.00 0.00 61.98 60.70 1wfk s VAL 17 Cb 0.00 -4.28 -0.11 0.00 -1.53 0.00 0.00 36.38 30.47 1wfk s VAL 17 CO 0.00 0.03 1.59 -0.75 -3.33 0.00 0.00 175.10 172.63 1wfk s LYS 18 N 1.93 4.18 -0.02 1.54 2.20 -1.26 -2.22 119.74 126.09 1wfk s LYS 18 Ca 0.46 2.47 -0.30 0.00 -0.36 0.00 0.00 55.97 58.25 1wfk s LYS 18 Cb -0.18 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1wfk s LYS 18 CO 0.18 -0.61 1.15 -0.06 -0.36 0.00 0.00 175.35 175.64 1wfk s PHE 19 N 0.58 3.37 0.24 4.03 0.08 -1.11 -4.81 117.98 120.36 1wfk s PHE 19 Ca 0.67 1.35 -0.08 0.00 0.12 0.00 0.00 56.93 59.00 1wfk s PHE 19 Cb -0.46 -3.35 -0.02 0.00 -0.57 0.00 0.00 43.02 38.62 1wfk s PHE 19 CO 0.39 -0.99 0.35 0.95 -0.10 0.00 0.00 175.22 175.81 1wfk s THR 20 N 1.65 0.00 0.17 0.64 -4.23 0.21 -4.95 115.64 109.12 1wfk s THR 20 Ca 0.55 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 1wfk s THR 20 Cb -0.25 -2.35 0.20 0.00 1.34 0.00 0.00 72.50 71.44 1wfk s THR 20 CO 0.25 0.00 1.08 0.18 -0.54 0.00 0.00 174.62 175.59 1wfk n LEU 21 N -0.35 -0.42 -0.04 4.79 4.32 -1.26 0.72 117.00 124.75 1wfk n LEU 21 Ca 0.00 1.21 -0.13 0.00 -0.02 0.00 0.00 56.01 57.07 1wfk n LEU 21 Cb 0.63 -0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 42.06 1wfk n LEU 21 CO 0.27 -1.10 0.58 -0.26 -1.22 0.00 0.00 177.39 175.66 1wfk h PHE 22 N 0.00 0.34 -3.25 -1.77 -1.00 -1.98 -3.36 116.94 105.92 1wfk h PHE 22 Ca 0.26 -0.11 -0.78 0.00 2.81 0.00 0.00 57.97 60.15 1wfk h PHE 22 Cb 0.43 -0.07 -0.25 0.00 3.61 0.00 0.00 35.95 39.67 1wfk h PHE 22 CO -0.60 0.73 0.62 0.21 -1.61 0.00 0.00 178.31 177.66 1wfk s LYS 23 N -4.15 4.08 1.22 1.51 2.47 0.22 -5.04 119.74 120.05 1wfk s LYS 23 Ca -0.15 -2.93 -0.16 0.00 -1.56 0.00 0.00 55.97 51.17 1wfk s LYS 23 Cb 0.04 -4.67 0.26 0.00 -1.46 0.00 0.00 37.83 32.01 1wfk s LYS 23 CO 0.74 -1.38 0.71 1.63 0.16 0.00 0.00 175.35 177.21 1wfk n LYS 24 N 3.65 -2.72 -4.55 4.03 5.02 -1.00 0.64 118.16 123.24 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 -1.98 -0.13 0.00 -0.02 0.00 0.00 35.03 33.32 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 -4.20 3.43 0.30 1.97 2.12 -1.26 -4.21 118.70 116.86 1wfk s GLU 25 Ca 0.64 -0.57 0.10 0.00 0.36 0.00 0.00 54.97 55.50 1wfk s GLU 25 Cb -0.20 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1wfk s GLU 25 CO 0.63 0.31 -0.09 0.71 -0.54 0.00 0.00 175.26 176.28 1wfk s TYR 26 N 0.16 2.46 0.04 5.30 1.51 0.21 -4.95 117.35 122.08 1wfk s TYR 26 Ca -0.03 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1wfk s TYR 26 Cb -0.14 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1wfk s TYR 26 CO 0.03 0.61 -0.15 0.20 -1.11 0.00 0.00 175.55 175.13 1wfk s GLY 27 N -3.61 0.86 0.43 0.71 0.00 -1.26 -0.63 107.32 103.81 1wfk s GLY 27 Ca 0.32 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1wfk s GLY 27 CO 0.17 -0.85 0.64 0.00 0.00 0.00 0.00 173.10 173.06 1wfk n LYS 29 N -2.00 0.41 0.00 0.00 4.76 -1.26 -3.91 118.16 116.16 1wfk n LYS 29 Ca 0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wfk n LYS 29 Cb 0.58 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 -2.99 0.00 0.02 4.39 5.15 -1.26 -4.15 115.26 116.43 1wfk n ASN 30 Ca -0.29 0.58 -0.07 0.00 -0.60 0.00 0.00 54.58 54.19 1wfk n ASN 30 Cb 0.81 -0.28 0.10 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.11 0.62 3.65 0.00 0.00 -1.25 -5.06 105.19 103.26 1wfk n GLY 32 Ca -0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.71 2.06 -0.11 1.61 0.52 -1.26 -4.83 118.95 112.23 1wfk s ARG 33 Ca 0.03 -1.94 -0.21 0.00 -0.52 0.00 0.00 55.73 53.10 1wfk s ARG 33 Cb -0.01 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1wfk s ARG 33 CO 0.07 -0.02 0.61 0.00 0.02 0.00 0.00 175.30 175.99 1wfk s ALA 34 N -2.63 3.42 0.12 2.13 0.00 -1.26 -1.35 121.76 122.19 1wfk s ALA 34 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1wfk s ALA 34 Cb 0.05 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1wfk s ALA 34 CO 0.20 -0.14 -0.04 -0.06 0.00 0.00 0.00 175.76 175.71 1wfk s PHE 35 N 0.93 0.94 -0.04 0.00 0.08 0.20 0.28 117.98 120.38 1wfk s PHE 35 Ca 0.32 -0.98 -0.11 0.00 0.12 0.00 0.00 56.93 56.29 1wfk s PHE 35 Cb -0.16 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1wfk s PHE 35 CO 0.14 -0.21 0.30 0.00 -0.10 0.00 0.00 175.22 175.35 1wfk n ASN 37 N 1.75 0.14 -0.02 0.00 5.15 -1.26 0.24 115.26 121.26 1wfk n ASN 37 Ca -0.15 0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 54.53 1wfk n ASN 37 Cb 0.53 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.15 1.33 8.20 0.00 -1.94 -3.22 103.07 107.59 1wfk h GLY 38 Ca 0.49 -0.09 -0.31 0.00 0.00 0.00 0.00 47.33 47.42 1wfk h GLY 38 CO -0.31 0.08 -1.36 0.00 0.00 0.00 0.00 176.54 174.96 1wfk n LEU 40 N -3.71 8.08 -1.18 0.00 7.94 0.93 -2.42 117.00 126.64 1wfk n LEU 40 Ca -0.14 -4.78 -0.06 0.00 -1.11 0.00 0.00 56.01 49.92 1wfk n LEU 40 Cb 1.05 -1.40 0.13 0.00 0.53 0.00 0.00 43.42 43.73 1wfk n LEU 40 CO 0.59 2.01 0.28 -1.54 -1.11 0.00 0.00 177.39 177.62 1wfk n SER 41 N 2.21 2.98 -4.24 1.96 3.41 -1.22 -4.70 113.62 114.02 1wfk n SER 41 Ca 0.64 -3.83 -0.14 0.00 -0.26 0.00 0.00 58.87 55.28 1wfk n SER 41 Cb 0.25 -0.45 -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 1.22 -0.02 7.33 0.40 -1.15 -5.04 117.98 117.36 1wfk s PHE 42 Ca 0.43 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1wfk s PHE 42 Cb 0.39 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 43.23 1wfk s PHE 42 CO -0.03 -0.14 0.05 -1.12 0.70 0.00 0.00 175.22 174.68 1wfk s SER 43 N -3.17 -0.03 -0.00 1.36 0.01 -1.26 0.74 113.70 111.35 1wfk s SER 43 Ca 0.22 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 1wfk s SER 43 Cb 0.05 0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.46 1wfk s SER 43 CO 0.03 -0.04 0.70 0.00 0.41 0.00 0.00 173.24 174.33 1wfk s ALA 44 N -0.10 -1.74 0.02 1.44 0.00 -0.52 -4.88 121.76 115.98 1wfk s ALA 44 Ca -0.01 1.10 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 1wfk s ALA 44 Cb -0.01 0.20 -0.11 0.00 0.00 0.00 0.00 23.12 23.20 1wfk s ALA 44 CO 0.00 -0.49 1.86 1.28 0.00 0.00 0.00 175.76 178.42 1wfk n LEU 45 N 0.49 3.74 -4.40 0.00 4.77 -1.26 -1.99 117.00 118.35 1wfk n LEU 45 Ca -0.17 0.97 -0.35 0.00 -0.03 0.00 0.00 56.01 56.42 1wfk n LEU 45 Cb 0.59 -1.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.10 1wfk n LEU 45 CO 0.19 0.04 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.28 1wfk s VAL 46 N 3.52 3.90 -0.10 4.08 1.01 -0.65 -4.76 120.40 127.39 1wfk s VAL 46 Ca 0.88 -0.32 0.30 0.00 0.00 0.00 0.00 61.98 62.84 1wfk s VAL 46 Cb -0.57 -2.79 0.34 0.00 0.00 0.00 0.00 36.38 33.35 1wfk s VAL 46 CO 0.44 0.39 1.89 1.55 0.00 0.00 0.00 175.10 179.38 1wfk h PRO 47 N 7.96 0.00 -0.00 2.72 0.13 -1.92 0.66 132.00 141.54 1wfk h PRO 47 Ca -0.39 0.00 -0.24 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 32.31 1wfk h PRO 47 CO 0.60 0.00 -0.98 0.00 -0.23 0.00 0.00 178.00 177.39 1wfk h ARG 48 N 0.00 0.52 0.00 0.86 3.08 -1.93 -3.30 114.38 113.62 1wfk h ARG 48 Ca 0.00 -0.56 -0.27 0.00 0.07 0.00 0.00 59.98 59.22 1wfk h ARG 48 Cb 0.44 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1wfk h ARG 48 CO 0.00 1.19 -1.49 0.00 -1.07 0.00 0.00 179.97 178.60 1wfk h ALA 49 N 0.62 0.63 0.00 0.04 0.00 -1.82 -3.48 119.26 115.25 1wfk h ALA 49 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1wfk h ALA 49 Cb 1.62 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1wfk h ALA 49 CO 0.18 1.47 0.00 0.41 0.00 0.00 0.00 179.25 181.31 1wfk n GLY 50 N 1.50 0.41 3.88 0.00 0.00 -0.57 -4.85 105.19 105.56 1wfk n GLY 50 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.28 -4.28 1.61 4.13 0.22 -4.94 115.26 110.73 1wfk n ASN 51 Ca 0.00 -0.92 -0.32 0.00 1.68 0.00 0.00 54.58 55.02 1wfk n ASN 51 Cb 0.00 -3.46 -0.16 0.00 -1.54 0.00 0.00 39.78 34.62 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 -3.74 2.32 -0.84 3.41 -4.23 -1.18 -4.68 115.64 106.69 1wfk s THR 52 Ca 0.13 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.44 1wfk s THR 52 Cb -0.07 -1.90 -0.10 0.00 1.34 0.00 0.00 72.50 71.78 1wfk s THR 52 CO 0.86 0.56 2.23 -1.58 -0.54 0.00 0.00 174.62 176.15 1wfk s GLN 53 N 0.16 1.96 0.27 3.99 0.74 -1.26 -1.63 119.66 123.89 1wfk s GLN 53 Ca -0.12 0.19 0.07 0.00 0.05 0.00 0.00 55.36 55.55 1wfk s GLN 53 Cb -0.16 -4.89 -0.03 0.00 1.10 0.00 0.00 33.01 29.02 1wfk s GLN 53 CO 0.07 -4.06 0.21 -0.65 -0.55 0.00 0.00 175.29 170.31 1wfk s GLN 54 N 8.18 2.87 -0.32 1.67 -1.52 -0.84 -4.65 119.66 125.05 1wfk s GLN 54 Ca 0.84 -1.11 -0.28 0.00 -1.95 0.00 0.00 55.36 52.86 1wfk s GLN 54 Cb -0.10 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 30.12 1wfk s GLN 54 CO 0.05 0.35 1.91 0.15 -0.25 0.00 0.00 175.29 177.50 1wfk s LYS 55 N -3.87 3.23 0.30 2.91 -0.14 -1.26 -1.44 119.74 119.48 1wfk s LYS 55 Ca 0.34 1.54 0.10 0.00 -1.36 0.00 0.00 55.97 56.59 1wfk s LYS 55 Cb -0.07 -4.26 -0.05 0.00 -1.68 0.00 0.00 37.83 31.77 1wfk s LYS 55 CO 0.25 -1.99 -0.07 0.14 -0.76 0.00 0.00 175.35 172.92 1wfk s VAL 56 N 7.44 2.75 0.58 3.17 -7.23 0.23 -4.09 120.40 123.25 1wfk s VAL 56 Ca 0.85 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1wfk s VAL 56 Cb -0.24 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1wfk s VAL 56 CO 0.33 -0.31 1.06 0.00 -0.31 0.00 0.00 175.10 175.87 1wfk n LYS 58 N -1.89 -0.14 0.00 0.00 3.00 -1.01 -0.66 118.16 117.46 1wfk n LYS 58 Ca 0.09 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 1wfk n LYS 58 Cb 0.53 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 -3.65 0.00 -0.38 1.64 7.27 -1.26 -1.13 117.38 119.86 1wfk n GLN 59 Ca 0.01 0.74 -0.02 0.00 0.07 0.00 0.00 57.00 57.80 1wfk n GLN 59 Cb 0.08 -1.23 0.03 0.00 2.41 0.00 0.00 30.24 31.53 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 0.50 0.15 0.00 -0.00 0.48 0.33 115.15 116.60 1wfk h HIS 61 Ca 0.33 0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 60.39 1wfk h HIS 61 Cb 0.58 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1wfk h HIS 61 CO -0.88 -0.01 -1.70 1.15 -0.00 0.00 0.00 177.93 176.48 1wfk h THR 62 N 0.25 0.97 0.05 6.26 2.02 0.32 -3.15 112.91 119.62 1wfk h THR 62 Ca 0.65 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.22 1wfk h THR 62 Cb 1.92 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 71.06 1wfk h THR 62 CO -0.27 0.83 -0.03 0.40 0.37 0.00 0.00 175.52 176.83 1wfk h ILE 63 N 0.09 1.03 -0.77 3.11 2.04 0.25 0.80 117.51 124.05 1wfk h ILE 63 Ca -0.32 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1wfk h ILE 63 Cb 2.06 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 39.30 1wfk h ILE 63 CO 0.16 0.06 0.45 -0.07 0.00 0.00 0.00 178.15 178.75 1wfk h LEU 64 N -0.18 0.94 -0.52 1.44 3.38 -0.67 -0.41 115.31 119.29 1wfk h LEU 64 Ca -0.01 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1wfk h LEU 64 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1wfk h LEU 64 CO 0.01 0.75 -0.73 0.71 0.09 0.00 0.00 178.44 179.27 1wfk h THR 65 N 1.06 1.48 0.29 0.22 1.35 -1.48 -3.34 112.91 112.49 1wfk h THR 65 Ca 0.27 -2.38 -0.01 0.00 -0.55 0.00 0.00 66.41 63.74 1wfk h THR 65 Cb -0.00 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1wfk h THR 65 CO -0.05 0.69 -0.14 0.03 -0.25 0.00 0.00 175.52 175.80 1wfk h ARG 66 N 0.07 -0.38 0.00 4.72 3.08 0.11 -3.50 114.38 118.49 1wfk h ARG 66 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wfk h ARG 66 Cb 1.29 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1wfk h ARG 66 CO 0.10 -0.25 0.00 0.41 -1.07 0.00 0.00 179.97 179.16 1wfk n GLY 67 N 0.17 0.69 2.38 0.04 0.00 -0.21 -5.06 105.19 103.19 1wfk n GLY 67 Ca -0.05 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 3.49 -0.06 1.61 7.64 -1.25 -4.85 113.62 120.20 1wfk n SER 68 Ca 0.00 -3.02 -0.06 0.00 1.01 0.00 0.00 58.87 56.80 1wfk n SER 68 Cb 0.00 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1wfk n SER 68 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wfk h SER 69 N 2.38 0.00 -3.51 6.43 0.87 -1.97 -3.44 113.55 114.30 1wfk h SER 69 Ca 0.15 -0.37 -0.62 0.00 -1.23 0.00 0.00 61.79 59.72 1wfk h SER 69 Cb 1.41 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.25 1wfk h SER 69 CO 0.52 0.72 0.26 -1.81 -0.53 0.00 0.00 176.83 175.99 1wfk s ASP 70 N -5.84 6.54 -0.78 6.23 1.11 -1.26 -5.00 116.67 117.67 1wfk s ASP 70 Ca -0.08 0.41 -0.26 0.00 0.18 0.00 0.00 52.55 52.80 1wfk s ASP 70 Cb -0.01 -2.36 0.03 0.00 1.07 0.00 0.00 42.92 41.64 1wfk s ASP 70 CO 0.28 -0.60 1.39 0.54 1.18 0.00 0.00 175.17 177.96 1wfk s ASN 71 N 1.71 6.10 -0.19 0.27 2.20 -1.26 -4.94 114.94 118.83 1wfk s ASN 71 Ca 0.28 -0.55 -0.11 0.00 -0.94 0.00 0.00 52.86 51.54 1wfk s ASN 71 Cb -0.14 -2.56 0.06 0.00 -2.00 0.00 0.00 41.25 36.61 1wfk s ASN 71 CO 0.14 -1.86 0.47 0.00 -2.94 0.00 0.00 177.10 172.90 1wfk s ALA 72 N 6.09 -1.21 0.14 3.54 0.00 -1.26 -5.14 121.76 123.90 1wfk s ALA 72 Ca 0.41 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.78 1wfk s ALA 72 Cb -0.07 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.96 1wfk s ALA 72 CO 0.11 -0.29 1.16 -1.12 0.00 0.00 0.00 175.76 175.62 1wfk s SER 73 N 1.43 7.14 0.67 0.00 0.01 -1.26 -4.99 113.70 116.71 1wfk s SER 73 Ca -0.09 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.10 1wfk s SER 73 Cb -0.08 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1wfk s SER 73 CO -0.14 -0.36 0.72 1.17 0.41 0.00 0.00 173.24 175.04 1wfk n LYS 74 N 2.99 0.51 -4.09 12.44 4.81 -1.26 -5.02 118.16 128.53 1wfk n LYS 74 Ca 0.05 0.21 -0.14 0.00 -0.87 0.00 0.00 58.31 57.57 1wfk n LYS 74 Cb 0.46 -1.96 -0.12 0.00 0.02 0.00 0.00 35.03 33.42 1wfk n LYS 74 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1wfk s TRP 75 N -1.77 0.61 -0.33 5.64 1.48 -1.26 -5.13 118.94 118.18 1wfk s TRP 75 Ca 0.70 -0.37 -0.08 0.00 -1.06 0.00 0.00 56.10 55.29 1wfk s TRP 75 Cb -0.38 -0.37 0.03 0.00 -1.16 0.00 0.00 33.47 31.58 1wfk s TRP 75 CO 0.53 -0.06 0.12 -1.54 -4.06 0.00 0.00 176.95 171.94 1wfk s SER 76 N -1.13 5.36 1.02 -2.66 1.04 -1.26 -5.10 113.70 110.97 1wfk s SER 76 Ca -0.06 -0.96 -0.13 0.00 0.48 0.00 0.00 55.95 55.28 1wfk s SER 76 Cb -0.08 -1.91 0.20 0.00 0.10 0.00 0.00 66.02 64.34 1wfk s SER 76 CO 0.00 -0.29 1.09 -2.16 0.98 0.00 0.00 173.24 172.86 1wfk s PRO 77 N 1.47 0.22 0.00 4.02 0.04 -1.26 -5.06 135.00 134.43 1wfk s PRO 77 Ca 0.01 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1wfk s PRO 77 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1wfk s PRO 77 CO 0.04 -2.86 0.00 -0.35 0.04 0.00 0.00 177.00 173.87 1wfk n PRO 78 N -4.25 -0.51 -0.71 0.56 -0.04 -1.26 -4.99 135.00 123.80 1wfk n PRO 78 Ca 0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 1wfk n PRO 78 Cb 0.58 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.14 1wfk n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfk n GLN 79 N -1.13 -1.26 -1.44 0.54 10.64 -1.26 -4.73 117.38 118.75 1wfk n GLN 79 Ca 0.00 -0.37 -0.49 0.00 -1.83 0.00 0.00 57.00 54.32 1wfk n GLN 79 Cb 0.00 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 27.98 1wfk n GLN 79 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1wfk n ASN 80 N 0.30 -0.75 -2.32 2.61 0.23 -1.26 -4.94 115.26 109.13 1wfk n ASN 80 Ca 0.02 1.14 -0.02 0.00 -0.53 0.00 0.00 54.58 55.18 1wfk n ASN 80 Cb 0.48 -1.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.20 1wfk n ASN 80 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1wfk n TYR 81 N 0.21 -1.16 -3.99 -2.53 4.01 -1.26 -5.13 117.16 107.31 1wfk n TYR 81 Ca 0.17 -0.81 -0.32 0.00 -0.16 0.00 0.00 57.90 56.78 1wfk n TYR 81 Cb 0.24 0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 39.52 1wfk n TYR 81 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1wfk s LYS 82 N -2.03 1.74 0.17 -0.72 0.00 -1.26 -5.09 119.74 112.55 1wfk s LYS 82 Ca 0.13 -1.74 -0.33 0.00 0.00 0.00 0.00 55.97 54.03 1wfk s LYS 82 Cb -0.02 -3.20 -0.16 0.00 0.00 0.00 0.00 37.83 34.45 1wfk s LYS 82 CO 0.04 -0.87 1.13 0.45 0.00 0.00 0.00 175.35 176.09 1wfk n SER 83 N 4.35 1.17 -0.22 0.03 2.88 -1.26 -4.98 113.62 115.59 1wfk n SER 83 Ca -0.01 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wfk n SER 83 Cb 0.42 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 1.97 1.04 3.59 0.46 0.00 -1.26 -4.92 105.19 106.07 1wfk n GLY 84 Ca 0.15 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 0.74 3.31 0.52 1.61 0.04 -1.26 -4.98 135.00 134.97 1wfk s PRO 85 Ca 0.00 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.27 1wfk s PRO 85 Cb 0.00 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wfk s PRO 85 CO 0.00 -1.89 0.05 -1.54 0.04 0.00 0.00 177.00 173.66 1wfk s SER 86 N 5.81 4.20 -1.45 6.66 1.04 -1.26 -4.77 113.70 123.93 1wfk s SER 86 Ca 0.74 -1.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.46 1wfk s SER 86 Cb -0.19 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1wfk s SER 86 CO 0.32 -0.89 0.98 -1.20 0.98 0.00 0.00 173.24 173.42 1wfk n SER 87 N -1.33 -4.44 0.00 7.02 7.64 -1.26 -5.29 113.62 115.95 1wfk n SER 87 Ca -0.17 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1wfk n SER 87 Cb 0.67 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1wfk n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64