#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfp s SER 2 N 0.00 1.56 -0.03 1.61 0.01 -1.26 -5.18 113.70 110.42 1wfp s SER 2 Ca 0.00 -1.57 -0.11 0.00 1.31 0.00 0.00 55.95 55.58 1wfp s SER 2 Cb 0.00 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.64 1wfp s SER 2 CO 0.00 -0.90 0.24 -0.55 0.41 0.00 0.00 173.24 172.45 1wfp s SER 3 N -3.38 -0.14 -0.18 2.44 0.15 -1.26 -5.16 113.70 106.17 1wfp s SER 3 Ca 0.36 0.10 -0.09 0.00 0.70 0.00 0.00 55.95 57.01 1wfp s SER 3 Cb 0.05 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 1wfp s SER 3 CO 0.18 -0.34 0.42 -0.83 1.20 0.00 0.00 173.24 173.87 1wfp s GLY 4 N -0.99 -0.34 0.16 9.45 0.00 -1.26 -5.16 107.32 109.17 1wfp s GLY 4 Ca -0.11 1.56 0.09 0.00 0.00 0.00 0.00 44.72 46.26 1wfp s GLY 4 CO 0.02 1.80 -0.20 -0.56 0.00 0.00 0.00 173.10 174.17 1wfp s SER 5 N 1.57 2.82 0.15 1.64 0.01 -1.26 -5.15 113.70 113.47 1wfp s SER 5 Ca -0.09 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 1wfp s SER 5 Cb -0.09 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1wfp s SER 5 CO -0.13 0.01 0.30 -0.55 0.41 0.00 0.00 173.24 173.28 1wfp s SER 6 N -2.56 -0.00 0.00 2.44 0.15 -1.26 -5.08 113.70 107.39 1wfp s SER 6 Ca 0.15 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wfp s SER 6 Cb -0.07 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wfp s SER 6 CO 0.07 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1wfp n GLY 7 N -0.20 0.63 2.82 9.45 0.00 -1.26 -5.16 105.19 111.48 1wfp n GLY 7 Ca -0.10 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1wfp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wfp s THR 8 N 0.00 0.01 -0.11 2.61 -4.23 -1.26 -5.14 115.64 107.51 1wfp s THR 8 Ca 0.00 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1wfp s THR 8 Cb 0.00 -0.08 0.01 0.00 1.34 0.00 0.00 72.50 73.77 1wfp s THR 8 CO 0.00 0.06 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.38 1wfp s ARG 9 N 0.57 2.32 0.00 3.99 6.06 -1.26 -5.09 118.95 125.54 1wfp s ARG 9 Ca -0.05 -0.60 0.00 0.00 -2.50 0.00 0.00 55.73 52.58 1wfp s ARG 9 Cb -0.07 -1.95 0.00 0.00 0.06 0.00 0.00 34.95 32.99 1wfp s ARG 9 CO -0.02 -0.04 0.00 0.41 -2.50 0.00 0.00 175.30 173.15 1wfp n GLY 10 N 4.15 3.33 0.00 8.12 0.00 -1.26 -5.19 105.19 114.34 1wfp n GLY 10 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1wfp n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfp n GLY 11 N -0.40 5.76 0.88 -0.02 0.00 -1.26 -5.12 105.19 105.04 1wfp n GLY 11 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 1wfp n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfp n ASP 12 N 0.00 0.86 -3.59 1.61 8.00 -1.26 -5.04 116.55 117.13 1wfp n ASP 12 Ca 0.00 0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 1wfp n ASP 12 Cb 0.00 -0.30 0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1wfp n ASP 12 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wfp n SER 13 N -3.29 -5.01 -3.70 -2.24 7.64 -1.26 -4.99 113.62 100.77 1wfp n SER 13 Ca -0.01 -0.59 -0.10 0.00 1.01 0.00 0.00 58.87 59.17 1wfp n SER 13 Cb 0.06 -4.91 -0.03 0.00 -1.01 0.00 0.00 64.21 58.31 1wfp n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfp s ALA 14 N -3.34 -1.03 -0.61 -0.43 0.00 -1.26 -5.03 121.76 110.06 1wfp s ALA 14 Ca 0.43 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 1wfp s ALA 14 Cb -0.20 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.71 1wfp s ALA 14 CO 0.74 -0.80 2.21 0.00 0.00 0.00 0.00 175.76 177.91 1wfp s ALA 15 N -3.86 1.65 -0.25 0.00 0.00 -1.26 -4.87 121.76 113.17 1wfp s ALA 15 Ca 0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1wfp s ALA 15 Cb -0.01 -4.39 0.13 0.00 0.00 0.00 0.00 23.12 18.86 1wfp s ALA 15 CO -0.04 -4.55 0.38 0.00 0.00 0.00 0.00 175.76 171.54 1wfp s ALA 16 N 11.51 -1.08 1.19 0.00 0.00 -1.26 -4.80 121.76 127.31 1wfp s ALA 16 Ca 0.85 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.53 1wfp s ALA 16 Cb -0.14 -1.69 0.23 0.00 0.00 0.00 0.00 23.12 21.52 1wfp s ALA 16 CO 0.19 -1.28 0.83 -0.35 0.00 0.00 0.00 175.76 175.15 1wfp n PRO 17 N 5.36 -2.63 -1.50 0.00 -0.04 -1.26 -4.83 135.00 130.10 1wfp n PRO 17 Ca -0.03 -1.33 -0.46 0.00 -0.04 0.00 0.00 63.50 61.64 1wfp n PRO 17 Cb 0.50 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1wfp n PRO 17 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wfp n LEU 18 N 0.00 2.22 -4.63 1.53 4.32 -1.26 -4.93 117.00 114.25 1wfp n LEU 18 Ca 0.11 0.19 -0.27 0.00 -0.02 0.00 0.00 56.01 56.03 1wfp n LEU 18 Cb 0.45 -1.35 -0.08 0.00 -1.62 0.00 0.00 43.42 40.82 1wfp n LEU 18 CO 0.31 -0.87 -0.36 1.51 -1.22 0.00 0.00 177.39 176.76 1wfp s ASP 19 N 8.51 4.59 1.02 -1.43 1.47 -1.26 -5.13 116.67 124.44 1wfp s ASP 19 Ca 1.08 -0.45 -0.13 0.00 1.18 0.00 0.00 52.55 54.24 1wfp s ASP 19 Cb -0.67 -0.92 0.20 0.00 -0.34 0.00 0.00 42.92 41.19 1wfp s ASP 19 CO 0.42 0.10 1.09 -2.16 0.68 0.00 0.00 175.17 175.31 1wfp s PRO 20 N -2.85 0.29 0.00 2.11 0.04 -1.26 -4.88 135.00 128.45 1wfp s PRO 20 Ca 0.26 0.47 0.03 0.00 0.04 0.00 0.00 61.00 61.80 1wfp s PRO 20 Cb -0.09 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.88 1wfp s PRO 20 CO 0.17 -2.81 0.63 -0.35 0.04 0.00 0.00 177.00 174.68 1wfp n PRO 21 N -4.23 0.49 -2.79 0.56 -0.04 -1.26 -4.77 135.00 122.96 1wfp n PRO 21 Ca 0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1wfp n PRO 21 Cb 0.57 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.94 1wfp n PRO 21 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1wfp s LYS 22 N -2.00 3.59 -0.73 0.54 2.20 -1.26 -4.93 119.74 117.14 1wfp s LYS 22 Ca 0.04 0.19 -0.25 0.00 -0.36 0.00 0.00 55.97 55.60 1wfp s LYS 22 Cb 0.02 -2.42 -0.15 0.00 -1.51 0.00 0.00 37.83 33.76 1wfp s LYS 22 CO 0.03 -0.11 2.44 0.43 -0.36 0.00 0.00 175.35 177.78 1wfp n SER 23 N -1.93 1.33 -4.55 1.43 7.64 -1.26 -4.89 113.62 111.40 1wfp n SER 23 Ca 0.00 -0.68 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1wfp n SER 23 Cb 0.55 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 62.29 1wfp n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wfp s THR 24 N 10.91 2.23 0.00 0.44 -4.23 -1.26 -5.14 115.64 118.58 1wfp s THR 24 Ca 1.08 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1wfp s THR 24 Cb -0.44 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 70.85 1wfp s THR 24 CO 0.29 -0.19 1.25 0.00 -0.54 0.00 0.00 174.62 175.43 1wfp s ALA 25 N -2.62 -2.17 0.24 3.99 0.00 -1.26 -5.15 121.76 114.80 1wfp s ALA 25 Ca 0.33 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1wfp s ALA 25 Cb 0.03 0.39 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 1wfp s ALA 25 CO 0.17 -1.05 1.22 0.99 0.00 0.00 0.00 175.76 177.09 1wfp s THR 26 N -2.53 3.29 0.24 0.00 2.01 -1.26 -5.02 115.64 112.37 1wfp s THR 26 Ca 0.14 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.13 1wfp s THR 26 Cb 0.04 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1wfp s THR 26 CO -0.03 0.23 0.59 -0.13 -0.69 0.00 0.00 174.62 174.58 1wfp s ARG 27 N -0.82 1.59 1.11 4.92 0.52 -1.26 -2.73 118.95 122.29 1wfp s ARG 27 Ca 0.51 -1.03 -0.15 0.00 -0.52 0.00 0.00 55.73 54.53 1wfp s ARG 27 Cb -0.35 0.54 0.17 0.00 0.52 0.00 0.00 34.95 35.84 1wfp s ARG 27 CO 0.41 -0.69 0.51 0.00 0.02 0.00 0.00 175.30 175.54 1wfp n LEU 29 N -3.07 0.63 -0.08 0.00 7.94 -0.89 -3.24 117.00 118.28 1wfp n LEU 29 Ca 0.03 -0.46 -0.15 0.00 -1.11 0.00 0.00 56.01 54.32 1wfp n LEU 29 Cb 0.58 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 1wfp n LEU 29 CO 0.54 0.16 -1.05 -1.20 -1.11 0.00 0.00 177.39 174.73 1wfp n SER 30 N -1.39 1.77 -0.00 1.96 7.64 -1.26 -4.70 113.62 117.63 1wfp n SER 30 Ca 0.02 0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.07 1wfp n SER 30 Cb 0.24 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1wfp n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfp n ASN 32 N -1.45 -4.11 -4.86 0.00 2.85 -1.20 -4.91 115.26 101.58 1wfp n ASN 32 Ca 0.02 -0.64 -0.37 0.00 -0.11 0.00 0.00 54.58 53.49 1wfp n ASN 32 Cb 0.26 -4.77 -0.06 0.00 1.24 0.00 0.00 39.78 36.45 1wfp n ASN 32 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1wfp s LYS 33 N -6.01 3.66 -0.33 1.20 2.20 -1.26 -4.51 119.74 114.68 1wfp s LYS 33 Ca 0.34 0.09 -0.35 0.00 -0.36 0.00 0.00 55.97 55.68 1wfp s LYS 33 Cb -0.15 -3.16 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1wfp s LYS 33 CO 0.76 0.71 2.16 1.17 -0.36 0.00 0.00 175.35 179.78 1wfp n LYS 34 N 1.67 1.13 -0.00 4.03 0.00 -1.26 -0.10 118.16 123.62 1wfp n LYS 34 Ca -0.15 0.32 0.01 0.00 0.00 0.00 0.00 58.31 58.49 1wfp n LYS 34 Cb 0.53 -2.46 -0.02 0.00 0.00 0.00 0.00 35.03 33.08 1wfp n LYS 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1wfp n VAL 35 N 7.03 0.00 0.00 3.15 0.24 -1.11 -4.90 118.33 122.75 1wfp n VAL 35 Ca 0.40 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1wfp n VAL 35 Cb 0.23 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 1wfp n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfp n GLY 36 N 1.54 0.55 0.13 7.63 0.00 -1.17 -0.26 105.19 113.61 1wfp n GLY 36 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 1wfp n GLY 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wfp n VAL 37 N 0.00 1.60 0.14 1.61 3.14 -1.26 -4.17 118.33 119.39 1wfp n VAL 37 Ca 0.00 -0.39 0.17 0.00 -2.96 0.00 0.00 64.34 61.16 1wfp n VAL 37 Cb 0.00 -1.80 0.57 0.00 -1.06 0.00 0.00 33.84 31.55 1wfp n VAL 37 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1wfp h THR 38 N -0.48 0.12 -2.34 1.55 1.35 -1.20 -3.43 112.91 108.48 1wfp h THR 38 Ca -0.49 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 64.82 1wfp h THR 38 Cb 1.70 0.40 0.22 0.00 -1.73 0.00 0.00 68.15 68.75 1wfp h THR 38 CO -0.14 0.00 -1.45 0.61 -0.25 0.00 0.00 175.52 174.29 1wfp n GLY 39 N -1.46 -3.81 2.95 5.82 0.00 0.64 -4.75 105.19 104.57 1wfp n GLY 39 Ca 0.07 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1wfp n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wfp s PHE 40 N -2.07 2.62 0.68 1.61 0.40 0.44 -4.89 117.98 116.78 1wfp s PHE 40 Ca 0.47 -1.98 -0.17 0.00 -0.60 0.00 0.00 56.93 54.65 1wfp s PHE 40 Cb -0.23 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1wfp s PHE 40 CO 0.76 -0.82 1.10 1.17 0.70 0.00 0.00 175.22 178.13 1wfp n LYS 41 N 4.60 0.77 -4.34 0.44 3.00 -1.26 -2.41 118.16 118.97 1wfp n LYS 41 Ca -0.10 0.32 -0.18 0.00 -0.00 0.00 0.00 58.31 58.35 1wfp n LYS 41 Cb 0.43 -2.33 -0.10 0.00 0.00 0.00 0.00 35.03 33.03 1wfp n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wfp h ARG 43 N 2.45 0.00 -0.05 0.00 3.08 -1.96 0.72 114.38 118.62 1wfp h ARG 43 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1wfp h ARG 43 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1wfp h ARG 43 CO 0.65 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 1wfp n GLY 45 N 0.56 -0.46 3.64 0.00 0.00 0.25 -4.98 105.19 104.19 1wfp n GLY 45 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1wfp n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfp s SER 46 N -2.22 4.12 -0.16 1.61 0.01 -1.24 -4.88 113.70 110.93 1wfp s SER 46 Ca 0.06 -1.09 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 1wfp s SER 46 Cb -0.03 -0.48 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 1wfp s SER 46 CO 0.07 -0.32 -0.09 -0.89 0.41 0.00 0.00 173.24 172.42 1wfp s THR 47 N -2.57 3.25 0.47 1.44 2.01 -1.26 -1.13 115.64 117.85 1wfp s THR 47 Ca 0.36 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1wfp s THR 47 Cb 0.03 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1wfp s THR 47 CO 0.19 0.49 0.05 -0.36 -0.69 0.00 0.00 174.62 174.30 1wfp s PHE 48 N 0.69 1.84 0.27 4.92 0.40 -1.01 -2.10 117.98 123.00 1wfp s PHE 48 Ca -0.05 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.27 1wfp s PHE 48 Cb -0.15 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1wfp s PHE 48 CO 0.02 0.04 0.37 0.00 0.70 0.00 0.00 175.22 176.35 1wfp h GLY 50 N 1.13 0.00 0.23 0.00 0.00 -1.96 0.77 103.07 103.24 1wfp h GLY 50 Ca -0.49 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.66 1wfp h GLY 50 CO 0.58 0.00 -0.93 -0.84 0.00 0.00 0.00 176.54 175.35 1wfp h THR 51 N 0.00 1.24 -0.71 4.70 2.02 -2.01 -3.37 112.91 114.79 1wfp h THR 51 Ca 0.00 -2.32 -0.39 0.00 0.77 0.00 0.00 66.41 64.46 1wfp h THR 51 Cb 1.31 2.78 -0.23 0.00 -1.74 0.00 0.00 68.15 70.27 1wfp h THR 51 CO 0.00 0.55 0.28 1.41 0.37 0.00 0.00 175.52 178.13 1wfp n HIS 52 N -4.29 2.21 0.03 3.16 -0.00 0.68 -4.57 115.22 112.45 1wfp n HIS 52 Ca -0.22 -1.90 -0.12 0.00 -0.00 0.00 0.00 57.72 55.48 1wfp n HIS 52 Cb 0.71 -0.77 -0.00 0.00 -0.00 0.00 0.00 29.99 29.92 1wfp n HIS 52 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wfp h ARG 53 N 1.17 0.50 -7.00 -0.41 0.11 0.20 -3.39 114.38 105.56 1wfp h ARG 53 Ca 0.44 -0.42 -0.49 0.00 0.10 0.00 0.00 59.98 59.61 1wfp h ARG 53 Cb 2.05 0.09 0.04 0.00 1.11 0.00 0.00 29.97 33.27 1wfp h ARG 53 CO 0.83 1.05 0.44 0.71 0.10 0.00 0.00 179.97 183.10 1wfp s TYR 54 N -3.62 3.04 0.16 4.08 1.51 -1.26 -4.88 117.35 116.38 1wfp s TYR 54 Ca -0.07 1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 1wfp s TYR 54 Cb 0.10 -3.23 0.03 0.00 -0.11 0.00 0.00 41.96 38.74 1wfp s TYR 54 CO 0.86 -1.06 1.51 -1.00 -1.11 0.00 0.00 175.55 174.74 1wfp h PRO 55 N 2.13 0.84 -0.04 -1.71 0.13 -1.87 -2.61 132.00 128.87 1wfp h PRO 55 Ca -0.49 -0.44 -0.09 0.00 -0.87 0.00 0.00 66.00 64.11 1wfp h PRO 55 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wfp h PRO 55 CO 0.61 1.08 -0.39 1.05 -0.23 0.00 0.00 178.00 180.11 1wfp h GLU 56 N 0.69 0.08 -0.03 0.86 9.09 -1.97 -2.85 114.58 120.44 1wfp h GLU 56 Ca 0.06 -0.03 -0.18 0.00 0.05 0.00 0.00 59.36 59.25 1wfp h GLU 56 Cb 0.96 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.05 1wfp h GLU 56 CO 0.09 0.47 -0.79 0.77 0.05 0.00 0.00 179.01 179.60 1wfp h SER 57 N 0.07 0.30 -3.08 3.06 0.02 -1.91 -3.43 113.55 108.58 1wfp h SER 57 Ca 0.01 -0.22 -0.66 0.00 -0.84 0.00 0.00 61.79 60.07 1wfp h SER 57 Cb 0.73 -0.09 -0.35 0.00 0.14 0.00 0.00 62.40 62.83 1wfp h SER 57 CO 0.05 0.97 -0.86 -1.38 -1.14 0.00 0.00 176.83 174.48 1wfp s HIS 58 N -3.41 2.71 -0.93 3.45 -3.43 -0.99 -5.01 115.29 107.67 1wfp s HIS 58 Ca -0.04 -1.57 -0.25 0.00 -0.80 0.00 0.00 55.06 52.40 1wfp s HIS 58 Cb 0.11 -1.88 -0.23 0.00 -1.43 0.00 0.00 32.58 29.15 1wfp s HIS 58 CO 0.82 -0.77 2.52 0.39 -2.00 0.00 0.00 174.74 175.70 1wfp n GLU 59 N 4.57 0.14 -2.40 -0.38 4.71 -1.26 -4.64 120.64 121.38 1wfp n GLU 59 Ca -0.21 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.16 56.52 1wfp n GLU 59 Cb 0.50 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 29.21 1wfp n GLU 59 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfp h GLN 61 N 11.00 0.46 -6.52 0.00 1.08 -1.96 -3.42 115.11 115.76 1wfp h GLN 61 Ca -0.09 -0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.48 1wfp h GLN 61 Cb 1.05 -0.10 0.13 0.00 -0.05 0.00 0.00 27.48 28.51 1wfp h GLN 61 CO 1.30 0.31 0.03 0.34 -0.95 0.00 0.00 178.83 179.86 1wfp n PHE 62 N -4.97 0.86 -2.24 2.96 7.35 -1.26 -4.89 117.46 115.27 1wfp n PHE 62 Ca 0.26 0.62 -0.41 0.00 -0.76 0.00 0.00 57.45 57.16 1wfp n PHE 62 Cb 0.74 -2.19 -0.03 0.00 0.35 0.00 0.00 39.48 38.35 1wfp n PHE 62 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wfp s ASP 63 N -0.73 6.93 -0.10 -2.13 1.11 -1.26 -4.96 116.67 115.53 1wfp s ASP 63 Ca 0.62 2.45 -0.12 0.00 0.18 0.00 0.00 52.55 55.68 1wfp s ASP 63 Cb -0.62 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 40.71 1wfp s ASP 63 CO 0.58 -0.46 -0.23 0.49 1.18 0.00 0.00 175.17 176.73 1wfp n PHE 64 N 1.91 0.00 -1.87 4.23 3.01 -1.26 -4.76 117.46 118.72 1wfp n PHE 64 Ca 0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.22 1wfp n PHE 64 Cb 0.43 -0.33 0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1wfp n PHE 64 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wfp n LYS 65 N -4.02 3.38 -2.84 -1.08 5.02 -1.26 -4.91 118.16 112.45 1wfp n LYS 65 Ca -0.09 -3.96 -0.10 0.00 -2.02 0.00 0.00 58.31 52.13 1wfp n LYS 65 Cb 0.34 -2.28 0.05 0.00 -0.02 0.00 0.00 35.03 33.12 1wfp n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfp n GLY 66 N -0.75 0.02 3.55 0.72 0.00 -1.26 -5.03 105.19 102.44 1wfp n GLY 66 Ca 0.48 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1wfp n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfp s VAL 67 N -3.19 3.79 -0.18 1.61 0.11 -1.26 -5.10 120.40 116.18 1wfp s VAL 67 Ca 0.05 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.61 1wfp s VAL 67 Cb -0.02 -2.60 0.07 0.00 -1.53 0.00 0.00 36.38 32.30 1wfp s VAL 67 CO 0.40 0.56 0.39 0.00 -3.33 0.00 0.00 175.10 173.12 1wfp s ALA 68 N -0.33 -1.02 -0.21 1.54 0.00 -1.26 -4.69 121.76 115.80 1wfp s ALA 68 Ca 0.05 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 1wfp s ALA 68 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1wfp s ALA 68 CO 0.02 -0.54 0.43 -1.54 0.00 0.00 0.00 175.76 174.13 1wfp s SER 69 N 2.09 6.45 0.00 0.00 1.04 -1.26 -4.69 113.70 117.32 1wfp s SER 69 Ca -0.05 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1wfp s SER 69 Cb -0.11 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1wfp s SER 69 CO -0.12 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1wfp n GLY 70 N 3.98 -2.55 3.58 7.32 0.00 -1.26 -5.07 105.19 111.19 1wfp n GLY 70 Ca -0.07 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1wfp n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfp s PRO 71 N -0.02 -1.49 0.61 1.61 0.04 -1.26 -4.97 135.00 129.53 1wfp s PRO 71 Ca 0.00 -0.16 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1wfp s PRO 71 Cb 0.00 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 1wfp s PRO 71 CO 0.00 -3.87 0.87 0.45 0.04 0.00 0.00 177.00 174.49 1wfp n SER 72 N -4.85 0.33 -4.70 6.66 2.88 -1.26 -4.97 113.62 107.71 1wfp n SER 72 Ca 0.15 0.77 -0.36 0.00 -1.33 0.00 0.00 58.87 58.10 1wfp n SER 72 Cb 0.60 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.63 1wfp n SER 72 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfp s SER 73 N -1.28 6.23 0.00 -3.46 0.01 -1.26 -5.30 113.70 108.64 1wfp s SER 73 Ca 0.75 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1wfp s SER 73 Cb -0.41 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wfp s SER 73 CO 0.48 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.84