#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfy s SER 2 N 0.00 -0.00 0.18 1.61 0.01 -1.26 -5.19 113.70 109.06 1wfy s SER 2 Ca 0.00 0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.02 1wfy s SER 2 Cb 0.00 1.00 0.06 0.00 0.21 0.00 0.00 66.02 67.29 1wfy s SER 2 CO 0.00 -0.00 0.92 -0.55 0.41 0.00 0.00 173.24 174.02 1wfy s SER 3 N 1.00 -0.17 0.00 2.44 0.15 -1.26 -5.19 113.70 110.67 1wfy s SER 3 Ca -0.08 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1wfy s SER 3 Cb -0.02 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1wfy s SER 3 CO -0.09 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1wfy n GLY 4 N -0.49 5.73 3.61 9.45 0.00 -1.26 -5.19 105.19 117.05 1wfy n GLY 4 Ca -0.06 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 1wfy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfy s SER 5 N 1.00 -0.22 0.04 1.61 0.15 -1.26 -5.19 113.70 109.84 1wfy s SER 5 Ca 0.00 0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.61 1wfy s SER 5 Cb 0.00 0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1wfy s SER 5 CO 0.00 -0.20 0.97 -0.94 1.20 0.00 0.00 173.24 174.27 1wfy s SER 6 N -1.05 -0.25 0.00 5.45 1.04 -1.26 -5.18 113.70 112.45 1wfy s SER 6 Ca 0.03 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wfy s SER 6 Cb -0.01 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1wfy s SER 6 CO -0.03 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1wfy n GLY 7 N -0.34 5.42 1.45 7.32 0.00 -1.26 -5.13 105.19 112.65 1wfy n GLY 7 Ca -0.07 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.84 1wfy n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wfy n ASP 8 N 0.00 -8.44 -4.31 1.61 2.03 -1.26 -4.81 116.55 101.37 1wfy n ASP 8 Ca 0.00 1.10 -0.33 0.00 0.52 0.00 0.00 54.79 56.08 1wfy n ASP 8 Cb 0.00 -4.73 0.14 0.00 -0.72 0.00 0.00 41.12 35.82 1wfy n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfy n GLN 9 N -4.29 -0.96 -3.88 -0.67 1.13 -1.26 -5.00 117.38 102.45 1wfy n GLN 9 Ca -0.05 -0.25 -0.27 0.00 -1.94 0.00 0.00 57.00 54.49 1wfy n GLN 9 Cb 0.68 -1.71 -0.17 0.00 0.11 0.00 0.00 30.24 29.16 1wfy n GLN 9 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1wfy s GLU 10 N -3.41 1.38 0.08 -1.09 2.02 -1.26 -4.99 118.70 111.43 1wfy s GLU 10 Ca 0.55 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1wfy s GLU 10 Cb -0.15 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1wfy s GLU 10 CO 0.67 -0.35 0.00 0.28 0.02 0.00 0.00 175.26 175.88 1wfy n VAL 11 N 4.94 0.35 0.01 2.63 0.31 -1.26 -4.88 118.33 120.43 1wfy n VAL 11 Ca -0.12 0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1wfy n VAL 11 Cb 0.49 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.49 1wfy n VAL 11 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wfy h ARG 12 N 0.00 0.06 0.00 5.55 2.47 -2.04 -3.45 114.38 116.97 1wfy h ARG 12 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1wfy h ARG 12 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1wfy h ARG 12 CO 0.00 0.16 0.00 -0.11 0.56 0.00 0.00 179.97 180.58 1wfy n LEU 13 N -5.00 0.00 0.00 3.04 7.94 -1.26 -4.73 117.00 117.00 1wfy n LEU 13 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1wfy n LEU 13 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1wfy n LEU 13 CO 0.33 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.82 1wfy n GLU 14 N 0.00 0.00 -1.02 1.96 2.13 -1.26 -4.96 120.64 117.49 1wfy n GLU 14 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1wfy n GLU 14 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 1wfy n GLU 14 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wfy n ASN 15 N 2.85 -5.66 -3.70 4.31 4.13 -1.26 -4.98 115.26 110.95 1wfy n ASN 15 Ca 0.00 0.23 -0.11 0.00 1.68 0.00 0.00 54.58 56.39 1wfy n ASN 15 Cb 0.00 -0.79 -0.10 0.00 -1.54 0.00 0.00 39.78 37.35 1wfy n ASN 15 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfy s ARG 16 N -1.97 0.44 0.04 3.52 3.03 -1.26 -4.56 118.95 118.20 1wfy s ARG 16 Ca 0.42 0.79 -0.00 0.00 2.03 0.00 0.00 55.73 58.97 1wfy s ARG 16 Cb -0.21 0.04 -0.04 0.00 -1.03 0.00 0.00 34.95 33.71 1wfy s ARG 16 CO 0.81 -0.14 0.18 0.96 -1.13 0.00 0.00 175.30 175.97 1wfy s ILE 17 N 1.19 5.22 0.17 4.99 -5.25 -0.74 -4.91 121.20 121.87 1wfy s ILE 17 Ca -0.08 -0.40 0.07 0.00 -0.99 0.00 0.00 60.65 59.25 1wfy s ILE 17 Cb -0.07 -3.51 -0.04 0.00 2.95 0.00 0.00 42.46 41.79 1wfy s ILE 17 CO -0.11 0.19 -0.15 -0.89 -1.79 0.00 0.00 174.94 172.20 1wfy s THR 18 N -1.43 1.60 0.17 8.37 2.01 -1.26 -1.95 115.64 123.15 1wfy s THR 18 Ca 0.32 -2.01 -0.17 0.00 0.31 0.00 0.00 61.69 60.13 1wfy s THR 18 Cb -0.13 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1wfy s THR 18 CO 0.24 -0.51 0.48 0.72 -0.69 0.00 0.00 174.62 174.86 1wfy s PHE 19 N -2.61 -0.13 0.14 4.92 -0.12 -0.24 -4.51 117.98 115.44 1wfy s PHE 19 Ca 0.17 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1wfy s PHE 19 Cb -0.02 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1wfy s PHE 19 CO 0.05 -0.85 0.24 -0.65 -0.05 0.00 0.00 175.22 173.97 1wfy s GLN 20 N -3.86 3.31 0.06 1.99 -0.21 -1.26 0.38 119.66 120.07 1wfy s GLN 20 Ca 0.08 -0.63 0.06 0.00 0.02 0.00 0.00 55.36 54.89 1wfy s GLN 20 Cb 0.00 -2.90 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 1wfy s GLN 20 CO -0.06 0.53 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.30 1wfy s LEU 21 N -3.09 2.21 -0.36 2.90 0.20 0.44 -0.37 118.68 120.62 1wfy s LEU 21 Ca 0.34 -0.54 -0.10 0.00 0.69 0.00 0.00 54.13 54.51 1wfy s LEU 21 Cb -0.11 -0.75 0.02 0.00 -0.43 0.00 0.00 46.19 44.92 1wfy s LEU 21 CO 0.27 0.06 0.18 -0.70 -0.29 0.00 0.00 176.35 175.88 1wfy s GLU 22 N -1.38 2.90 -1.34 1.98 2.12 0.76 -0.53 118.70 123.21 1wfy s GLU 22 Ca 0.04 -1.02 -0.16 0.00 0.36 0.00 0.00 54.97 54.18 1wfy s GLU 22 Cb -0.09 -3.67 0.07 0.00 0.26 0.00 0.00 34.13 30.70 1wfy s GLU 22 CO 0.02 -0.64 1.88 1.28 -0.54 0.00 0.00 175.26 177.26 1wfy n LEU 23 N 4.97 5.57 -4.58 2.70 4.77 -0.80 0.27 117.00 129.91 1wfy n LEU 23 Ca -0.12 -4.02 -0.49 0.00 -0.03 0.00 0.00 56.01 51.35 1wfy n LEU 23 Cb 0.46 -1.71 -0.05 0.00 -2.33 0.00 0.00 43.42 39.79 1wfy n LEU 23 CO 0.35 0.49 1.67 0.52 -1.33 0.00 0.00 177.39 179.10 1wfy n VAL 24 N 5.87 0.37 0.00 4.08 0.31 -1.01 -0.45 118.33 127.50 1wfy n VAL 24 Ca 0.49 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1wfy n VAL 24 Cb 0.44 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1wfy n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfy n GLY 25 N 5.50 3.08 0.10 2.92 0.00 -1.26 -4.65 105.19 110.87 1wfy n GLY 25 Ca 0.32 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 1wfy n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wfy h LEU 26 N 0.00 0.00 -2.61 0.99 6.46 -1.17 -3.49 115.31 115.49 1wfy h LEU 26 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1wfy h LEU 26 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1wfy h LEU 26 CO 0.00 0.72 -0.03 -0.62 -0.62 0.00 0.00 178.44 177.88 1wfy n GLU 27 N -3.18 -0.87 -3.57 1.25 -0.58 -0.77 -5.07 120.64 107.85 1wfy n GLU 27 Ca -0.03 1.14 -0.05 0.00 -0.42 0.00 0.00 57.16 57.81 1wfy n GLU 27 Cb 0.85 -4.06 -0.02 0.00 -0.57 0.00 0.00 31.44 27.64 1wfy n GLU 27 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1wfy s ARG 28 N -2.88 0.45 -0.16 3.49 1.70 -1.26 -5.04 118.95 115.25 1wfy s ARG 28 Ca 0.02 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 1wfy s ARG 28 Cb -0.00 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1wfy s ARG 28 CO 0.45 -0.20 -0.15 0.08 -1.08 0.00 0.00 175.30 174.40 1wfy s VAL 29 N -2.61 2.66 0.31 4.99 1.01 -1.26 -1.90 120.40 123.60 1wfy s VAL 29 Ca 0.08 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.38 1wfy s VAL 29 Cb -0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1wfy s VAL 29 CO -0.06 0.51 0.15 0.68 0.00 0.00 0.00 175.10 176.39 1wfy s VAL 30 N 0.90 3.42 0.09 2.92 -7.23 0.30 -4.89 120.40 115.92 1wfy s VAL 30 Ca -0.04 -1.63 0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1wfy s VAL 30 Cb -0.15 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1wfy s VAL 30 CO -0.01 -0.24 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.69 1wfy s ARG 31 N -3.84 1.68 -0.02 4.82 3.52 -1.26 0.17 118.95 124.01 1wfy s ARG 31 Ca 0.36 -1.19 0.02 0.00 -0.13 0.00 0.00 55.73 54.79 1wfy s ARG 31 Cb -0.05 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1wfy s ARG 31 CO 0.23 0.49 -0.09 0.42 -0.81 0.00 0.00 175.30 175.54 1wfy s ILE 32 N -0.97 0.75 -0.06 4.11 1.01 0.16 -4.94 121.20 121.27 1wfy s ILE 32 Ca 0.14 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1wfy s ILE 32 Cb -0.10 -0.67 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 1wfy s ILE 32 CO 0.05 0.24 -0.22 -0.94 0.00 0.00 0.00 174.94 174.07 1wfy s SER 33 N 0.17 2.72 -0.22 3.58 1.04 -1.26 -1.07 113.70 118.66 1wfy s SER 33 Ca -0.03 -0.46 -0.33 0.00 0.48 0.00 0.00 55.95 55.61 1wfy s SER 33 Cb -0.08 -0.90 0.15 0.00 0.10 0.00 0.00 66.02 65.30 1wfy s SER 33 CO 0.00 0.19 1.24 0.00 0.98 0.00 0.00 173.24 175.65 1wfy s ALA 34 N 0.06 -2.08 0.65 5.32 0.00 -0.82 -5.03 121.76 119.86 1wfy s ALA 34 Ca -0.08 1.71 -0.17 0.00 0.00 0.00 0.00 51.96 53.42 1wfy s ALA 34 Cb -0.14 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1wfy s ALA 34 CO 0.04 -0.47 0.68 0.36 0.00 0.00 0.00 175.76 176.38 1wfy n LYS 35 N 0.17 0.51 0.08 0.00 0.00 -1.26 -1.79 118.16 115.87 1wfy n LYS 35 Ca -0.00 0.21 -0.06 0.00 -0.00 0.00 0.00 58.31 58.46 1wfy n LYS 35 Cb 0.58 -1.92 -0.04 0.00 -0.00 0.00 0.00 35.03 33.65 1wfy n LYS 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1wfy h PRO 36 N -0.00 -0.29 -0.92 -1.58 0.13 -1.86 -3.32 132.00 124.15 1wfy h PRO 36 Ca -0.46 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1wfy h PRO 36 Cb 1.37 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.39 1wfy h PRO 36 CO 0.46 -0.10 -0.21 0.25 -0.23 0.00 0.00 178.00 178.18 1wfy n THR 37 N -4.97 -0.39 -0.90 1.56 -2.24 -1.26 -2.86 114.28 103.22 1wfy n THR 37 Ca -0.05 2.10 -0.36 0.00 -2.27 0.00 0.00 64.05 63.48 1wfy n THR 37 Cb 0.16 -2.93 0.08 0.00 -2.10 0.00 0.00 70.33 65.54 1wfy n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wfy n LYS 38 N -5.49 -0.34 -2.59 -0.78 5.02 -1.25 -4.59 118.16 108.14 1wfy n LYS 38 Ca 0.15 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 1wfy n LYS 38 Cb 0.48 -1.29 0.12 0.00 -0.02 0.00 0.00 35.03 34.32 1wfy n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wfy s ARG 39 N -2.57 1.51 0.30 1.97 0.52 -1.26 -2.34 118.95 117.07 1wfy s ARG 39 Ca 0.45 -1.20 0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1wfy s ARG 39 Cb -0.09 -2.31 0.25 0.00 0.52 0.00 0.00 34.95 33.32 1wfy s ARG 39 CO 0.72 -1.58 1.53 -0.07 0.02 0.00 0.00 175.30 175.92 1wfy h LEU 40 N -0.63 0.00 0.17 2.53 3.38 -0.98 -0.98 115.31 118.80 1wfy h LEU 40 Ca -0.35 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.29 1wfy h LEU 40 Cb 1.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1wfy h LEU 40 CO 0.38 0.51 -1.66 0.06 0.09 0.00 0.00 178.44 177.81 1wfy h GLN 41 N 0.00 0.35 0.00 1.13 3.07 -1.80 -2.27 115.11 115.59 1wfy h GLN 41 Ca -0.01 -0.61 -0.07 0.00 0.09 0.00 0.00 58.65 58.06 1wfy h GLN 41 Cb 1.26 0.23 -0.01 0.00 0.08 0.00 0.00 27.48 29.03 1wfy h GLN 41 CO 0.07 1.29 -0.32 0.93 0.09 0.00 0.00 178.83 180.88 1wfy h GLU 42 N -0.01 0.00 0.00 0.06 4.39 -1.84 1.33 114.58 118.51 1wfy h GLU 42 Ca -0.33 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.22 1wfy h GLU 42 Cb 2.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 1wfy h GLU 42 CO 0.15 0.32 -1.12 0.00 -1.16 0.00 0.00 179.01 177.20 1wfy h ALA 43 N 1.68 0.65 0.00 3.43 0.00 -1.28 -3.29 119.26 120.45 1wfy h ALA 43 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wfy h ALA 43 Cb 0.84 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wfy h ALA 43 CO 0.04 0.84 -1.22 1.28 0.00 0.00 0.00 179.25 180.18 1wfy n LEU 44 N -3.01 0.56 -0.08 0.00 7.99 -0.85 -4.26 117.00 117.34 1wfy n LEU 44 Ca -0.06 -0.07 -0.06 0.00 -0.01 0.00 0.00 56.01 55.81 1wfy n LEU 44 Cb 0.81 -0.06 -0.00 0.00 -0.11 0.00 0.00 43.42 44.06 1wfy n LEU 44 CO 0.42 0.05 0.81 1.56 -1.51 0.00 0.00 177.39 178.73 1wfy h GLN 45 N 0.00 0.01 0.00 3.23 1.08 0.17 1.59 115.11 121.19 1wfy h GLN 45 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wfy h GLN 45 Cb 0.77 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1wfy h GLN 45 CO 0.00 0.01 0.00 -0.35 -0.95 0.00 0.00 178.83 177.54 1wfy n PRO 46 N -5.24 0.51 -0.13 1.46 -0.04 -1.26 -1.28 135.00 129.01 1wfy n PRO 46 Ca 0.00 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 1wfy n PRO 46 Cb 0.17 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 1wfy n PRO 46 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wfy n ILE 47 N -1.16 1.47 -0.09 0.52 2.08 0.88 -3.61 119.36 119.46 1wfy n ILE 47 Ca 0.14 -0.44 -0.08 0.00 0.56 0.00 0.00 62.75 62.93 1wfy n ILE 47 Cb 0.14 -1.69 0.08 0.00 -0.75 0.00 0.00 39.64 37.42 1wfy n ILE 47 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1wfy h LEU 48 N -0.61 0.80 -0.94 1.39 3.38 0.22 0.77 115.31 120.32 1wfy h LEU 48 Ca -0.64 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 56.93 1wfy h LEU 48 Cb 1.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1wfy h LEU 48 CO -0.30 1.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.89 1wfy h ALA 49 N 1.06 1.10 -0.04 1.53 0.00 -1.38 1.60 119.26 123.13 1wfy h ALA 49 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wfy h ALA 49 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wfy h ALA 49 CO 0.06 0.57 0.00 1.17 0.00 0.00 0.00 179.25 181.05 1wfy n LYS 50 N -4.07 1.55 0.00 0.00 4.81 -0.97 -3.28 118.16 116.20 1wfy n LYS 50 Ca -0.01 -0.81 0.00 0.00 -0.87 0.00 0.00 58.31 56.62 1wfy n LYS 50 Cb 0.44 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1wfy n LYS 50 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wfy n HIS 51 N -0.01 0.00 -1.55 5.64 8.25 0.23 -4.97 115.22 122.81 1wfy n HIS 51 Ca 0.19 -0.30 -0.19 0.00 -0.26 0.00 0.00 57.72 57.16 1wfy n HIS 51 Cb 0.30 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 1wfy n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wfy n GLY 52 N -0.30 1.80 0.00 -1.41 0.00 0.19 -4.94 105.19 100.53 1wfy n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wfy n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfy n LEU 53 N -2.22 0.00 -3.79 0.99 4.77 0.49 -4.95 117.00 112.28 1wfy n LEU 53 Ca -0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1wfy n LEU 53 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1wfy n LEU 53 CO 0.29 -0.45 0.14 -0.55 -1.33 0.00 0.00 177.39 175.49 1wfy s SER 54 N -1.00 -0.14 0.35 -1.43 0.15 -1.26 -4.39 113.70 105.97 1wfy s SER 54 Ca 0.00 -0.58 0.21 0.00 0.70 0.00 0.00 55.95 56.28 1wfy s SER 54 Cb 0.00 0.50 0.20 0.00 -1.71 0.00 0.00 66.02 65.01 1wfy s SER 54 CO 0.00 -0.95 1.45 -0.07 1.20 0.00 0.00 173.24 174.87 1wfy h LEU 55 N 2.36 0.00 -3.29 3.45 3.38 -1.96 -2.72 115.31 116.54 1wfy h LEU 55 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wfy h LEU 55 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wfy h LEU 55 CO 0.43 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.44 1wfy n ASP 56 N -3.06 4.98 0.03 -0.43 -0.08 -1.26 -4.45 116.55 112.27 1wfy n ASP 56 Ca 0.02 -2.64 -0.01 0.00 -1.51 0.00 0.00 54.79 50.65 1wfy n ASP 56 Cb 0.60 -0.60 -0.00 0.00 2.34 0.00 0.00 41.12 43.45 1wfy n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfy n GLN 57 N 0.81 0.05 -2.84 -0.67 1.13 -1.17 -5.05 117.38 109.65 1wfy n GLN 57 Ca 0.26 0.02 -0.32 0.00 -1.94 0.00 0.00 57.00 55.01 1wfy n GLN 57 Cb 0.98 -0.59 -0.06 0.00 0.11 0.00 0.00 30.24 30.69 1wfy n GLN 57 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1wfy s VAL 58 N -2.07 4.55 -0.21 5.09 -7.23 -1.03 -4.15 120.40 115.33 1wfy s VAL 58 Ca -0.03 1.18 0.01 0.00 -1.81 0.00 0.00 61.98 61.34 1wfy s VAL 58 Cb 0.01 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.35 1wfy s VAL 58 CO 0.04 -0.37 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.65 1wfy s VAL 59 N -2.23 1.83 -0.07 1.32 1.01 -1.15 -4.83 120.40 116.28 1wfy s VAL 59 Ca 0.58 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1wfy s VAL 59 Cb -0.10 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1wfy s VAL 59 CO 0.20 0.17 0.33 -0.22 0.00 0.00 0.00 175.10 175.58 1wfy s LEU 60 N 1.31 4.40 -0.30 3.92 1.98 -1.26 -2.12 118.68 126.61 1wfy s LEU 60 Ca -0.02 0.75 -0.17 0.00 -2.89 0.00 0.00 54.13 51.80 1wfy s LEU 60 Cb -0.17 -2.44 0.19 0.00 0.66 0.00 0.00 46.19 44.43 1wfy s LEU 60 CO -0.08 0.28 1.19 -1.38 -1.89 0.00 0.00 176.35 174.46 1wfy s HIS 61 N -0.64 -0.25 0.92 5.38 -3.43 -0.91 -0.71 115.29 115.65 1wfy s HIS 61 Ca 0.20 0.45 -0.17 0.00 -0.80 0.00 0.00 55.06 54.75 1wfy s HIS 61 Cb -0.15 0.15 -0.13 0.00 -1.43 0.00 0.00 32.58 31.02 1wfy s HIS 61 CO 0.09 -0.12 -0.55 0.54 -2.00 0.00 0.00 174.74 172.69 1wfy n ARG 62 N 4.19 -0.02 -2.33 -0.38 1.74 -1.26 -3.62 116.66 114.97 1wfy n ARG 62 Ca -0.11 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1wfy n ARG 62 Cb 0.55 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.85 1wfy n ARG 62 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wfy s PRO 63 N -2.07 3.32 0.00 5.56 0.04 -1.26 -3.34 135.00 137.26 1wfy s PRO 63 Ca 0.45 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1wfy s PRO 63 Cb -0.23 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1wfy s PRO 63 CO 0.78 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1wfy n GLY 64 N 5.26 3.46 3.29 0.56 0.00 -1.26 -5.11 105.19 111.39 1wfy n GLY 64 Ca 0.15 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1wfy n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfy n GLU 65 N 0.00 -0.71 -0.00 1.61 -0.58 -1.21 -4.99 120.64 114.75 1wfy n GLU 65 Ca 0.00 -0.18 -0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1wfy n GLU 65 Cb 0.00 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1wfy n GLU 65 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1wfy n LYS 66 N -1.06 0.03 -1.64 3.49 0.00 -1.26 -4.93 118.16 112.78 1wfy n LYS 66 Ca 0.03 0.01 -0.37 0.00 0.00 0.00 0.00 58.31 57.97 1wfy n LYS 66 Cb 0.59 -0.44 0.06 0.00 0.00 0.00 0.00 35.03 35.23 1wfy n LYS 66 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1wfy n GLN 67 N -2.61 0.95 -2.45 1.64 7.27 -1.26 -4.91 117.38 116.00 1wfy n GLN 67 Ca -0.01 0.37 -0.42 0.00 0.07 0.00 0.00 57.00 57.01 1wfy n GLN 67 Cb 0.02 -2.26 -0.03 0.00 2.41 0.00 0.00 30.24 30.38 1wfy n GLN 67 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1wfy s PRO 68 N -2.92 4.41 -0.63 3.69 0.04 -1.26 -4.88 135.00 133.44 1wfy s PRO 68 Ca 0.78 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 1wfy s PRO 68 Cb -0.41 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 1wfy s PRO 68 CO 0.45 -0.33 2.06 -1.64 0.04 0.00 0.00 177.00 177.58 1wfy s MET 69 N 1.56 2.40 0.47 4.56 -1.94 0.11 -4.91 119.30 121.55 1wfy s MET 69 Ca 0.57 0.69 -0.19 0.00 -1.71 0.00 0.00 55.69 55.05 1wfy s MET 69 Cb -0.27 -4.56 -0.15 0.00 2.01 0.00 0.00 34.83 31.86 1wfy s MET 69 CO 0.26 -3.09 -0.04 -0.25 -0.01 0.00 0.00 175.02 171.89 1wfy n ASP 70 N 14.19 -3.34 -1.86 3.03 8.00 -1.26 -4.75 116.55 130.56 1wfy n ASP 70 Ca 0.29 0.71 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 1wfy n ASP 70 Cb 0.51 -0.87 0.31 0.00 -0.02 0.00 0.00 41.12 41.06 1wfy n ASP 70 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wfy n LEU 71 N 2.40 5.58 0.15 0.64 4.77 -1.26 -4.10 117.00 125.19 1wfy n LEU 71 Ca 0.09 -2.88 0.12 0.00 -0.03 0.00 0.00 56.01 53.31 1wfy n LEU 71 Cb 0.45 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1wfy n LEU 71 CO 0.54 0.70 0.36 1.05 -1.33 0.00 0.00 177.39 178.71 1wfy h GLU 72 N 2.85 0.00 -6.90 3.23 4.11 -1.97 -2.74 114.58 113.17 1wfy h GLU 72 Ca 0.16 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.11 1wfy h GLU 72 Cb 2.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1wfy h GLU 72 CO 0.60 0.00 0.20 -0.80 0.07 0.00 0.00 179.01 179.08 1wfy s ASN 73 N -5.69 6.71 0.23 3.06 0.01 -1.26 -4.79 114.94 113.21 1wfy s ASN 73 Ca 0.03 1.37 -0.30 0.00 -0.71 0.00 0.00 52.86 53.25 1wfy s ASN 73 Cb 0.08 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.24 1wfy s ASN 73 CO 0.74 -0.35 1.10 -2.16 -1.51 0.00 0.00 177.10 174.91 1wfy s PRO 74 N -3.45 4.62 0.59 -0.60 0.04 -1.26 -1.52 135.00 133.42 1wfy s PRO 74 Ca 0.56 1.76 0.31 0.00 0.04 0.00 0.00 61.00 63.66 1wfy s PRO 74 Cb -0.10 -3.23 1.34 0.00 0.04 0.00 0.00 34.50 32.55 1wfy s PRO 74 CO 0.23 0.15 1.69 -0.39 0.04 0.00 0.00 177.00 178.72 1wfy h VAL 75 N 3.40 0.24 -1.26 -0.36 -1.51 -1.31 0.45 116.25 115.89 1wfy h VAL 75 Ca -0.45 0.00 0.37 0.00 -1.23 0.00 0.00 66.70 65.38 1wfy h VAL 75 Cb 1.21 0.37 -0.08 0.00 -2.13 0.00 0.00 31.29 30.66 1wfy h VAL 75 CO 0.70 0.00 0.87 0.77 -1.23 0.00 0.00 177.57 178.67 1wfy h SER 76 N 0.00 0.18 -0.05 4.19 4.64 -1.78 1.05 113.55 121.77 1wfy h SER 76 Ca 0.39 0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 61.53 1wfy h SER 76 Cb 2.02 0.03 0.02 0.00 -0.31 0.00 0.00 62.40 64.15 1wfy h SER 76 CO -0.00 -0.01 -0.89 0.28 -0.87 0.00 0.00 176.83 175.33 1wfy h SER 77 N 0.13 0.88 -0.65 4.97 0.02 -0.42 -3.20 113.55 115.29 1wfy h SER 77 Ca 0.67 -0.70 -0.37 0.00 -0.84 0.00 0.00 61.79 60.55 1wfy h SER 77 Cb 2.29 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 64.42 1wfy h SER 77 CO -0.18 1.46 0.34 1.33 -1.14 0.00 0.00 176.83 178.64 1wfy n VAL 78 N -3.93 2.97 -3.60 2.27 0.24 0.36 -4.58 118.33 112.05 1wfy n VAL 78 Ca -0.10 -2.10 -0.27 0.00 -2.04 0.00 0.00 64.34 59.83 1wfy n VAL 78 Cb 0.81 -1.48 -0.10 0.00 -1.47 0.00 0.00 33.84 31.59 1wfy n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfy n ALA 79 N 0.72 3.28 0.01 2.33 0.00 -0.92 -4.55 120.51 121.37 1wfy n ALA 79 Ca 0.37 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.75 1wfy n ALA 79 Cb 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1wfy n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfy n SER 80 N 1.93 -0.17 -4.93 0.00 2.88 -1.26 -5.00 113.62 107.07 1wfy n SER 80 Ca 0.25 0.27 -0.23 0.00 -1.33 0.00 0.00 58.87 57.82 1wfy n SER 80 Cb 0.42 0.40 0.01 0.00 -0.75 0.00 0.00 64.21 64.28 1wfy n SER 80 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wfy s GLN 81 N -2.00 2.34 0.00 -1.46 -1.52 -1.26 -5.02 119.66 110.74 1wfy s GLN 81 Ca 0.00 -1.80 -0.17 0.00 -1.95 0.00 0.00 55.36 51.44 1wfy s GLN 81 Cb 0.00 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.42 1wfy s GLN 81 CO 0.00 -0.58 0.49 0.99 -0.25 0.00 0.00 175.29 175.94 1wfy s THR 82 N -2.67 4.95 0.63 -0.19 2.01 -1.26 -4.31 115.64 114.80 1wfy s THR 82 Ca 0.45 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.49 1wfy s THR 82 Cb -0.03 -3.81 0.09 0.00 0.01 0.00 0.00 72.50 68.75 1wfy s THR 82 CO 0.28 0.51 0.87 -0.76 -0.69 0.00 0.00 174.62 174.83 1wfy s LEU 83 N -0.70 3.12 -0.05 4.42 1.43 0.51 -4.52 118.68 122.88 1wfy s LEU 83 Ca 0.27 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1wfy s LEU 83 Cb -0.17 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1wfy s LEU 83 CO 0.15 -1.50 -0.07 -0.69 0.23 0.00 0.00 176.35 174.47 1wfy s VAL 84 N -2.91 0.74 -0.04 -1.59 1.01 -1.24 -0.17 120.40 116.21 1wfy s VAL 84 Ca 0.62 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1wfy s VAL 84 Cb -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1wfy s VAL 84 CO 0.41 0.26 -0.07 -0.22 0.00 0.00 0.00 175.10 175.48 1wfy s LEU 85 N 0.76 3.16 -0.45 3.92 1.98 0.14 -2.15 118.68 126.04 1wfy s LEU 85 Ca -0.12 -0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.06 1wfy s LEU 85 Cb -0.14 -1.74 0.14 0.00 0.66 0.00 0.00 46.19 45.10 1wfy s LEU 85 CO 0.01 0.33 0.25 -0.62 -1.89 0.00 0.00 176.35 174.43 1wfy s ASP 86 N -1.07 3.66 0.83 3.68 -1.08 -0.90 -2.40 116.67 119.40 1wfy s ASP 86 Ca 0.14 -2.70 -0.12 0.00 -0.52 0.00 0.00 52.55 49.35 1wfy s ASP 86 Cb -0.11 -1.07 0.10 0.00 -1.46 0.00 0.00 42.92 40.38 1wfy s ASP 86 CO 0.04 -0.26 1.18 0.42 0.52 0.00 0.00 175.17 177.07 1wfy s THR 87 N 0.25 2.16 0.97 1.71 -4.23 -1.26 -2.92 115.64 112.32 1wfy s THR 87 Ca 0.18 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1wfy s THR 87 Cb -0.23 -2.35 0.17 0.00 1.34 0.00 0.00 72.50 71.43 1wfy s THR 87 CO -0.01 -0.06 1.17 -2.16 -0.54 0.00 0.00 174.62 173.02 1wfy s PRO 88 N -4.33 0.65 -0.07 3.99 0.04 -1.26 -4.95 135.00 129.06 1wfy s PRO 88 Ca 0.70 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 61.65 1wfy s PRO 88 Cb -0.26 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.33 1wfy s PRO 88 CO 0.53 -2.50 0.72 -1.00 0.04 0.00 0.00 177.00 174.79 1wfy h PRO 89 N -1.71 -0.15 -4.86 0.56 0.13 -1.94 -3.41 132.00 120.62 1wfy h PRO 89 Ca -0.48 0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 1wfy h PRO 89 Cb 1.31 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.29 1wfy h PRO 89 CO 0.53 0.30 0.10 -0.51 -0.23 0.00 0.00 178.00 178.19 1wfy s ASP 90 N -5.59 6.20 -0.29 1.44 1.11 -1.26 -4.97 116.67 113.32 1wfy s ASP 90 Ca -0.12 -1.15 -0.17 0.00 0.18 0.00 0.00 52.55 51.29 1wfy s ASP 90 Cb -0.00 -2.30 0.15 0.00 1.07 0.00 0.00 42.92 41.84 1wfy s ASP 90 CO 0.43 -1.01 1.01 0.00 1.18 0.00 0.00 175.17 176.78 1wfy s ALA 91 N 2.71 -2.26 0.02 5.23 0.00 -1.26 -5.07 121.76 121.13 1wfy s ALA 91 Ca 0.14 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1wfy s ALA 91 Cb -0.21 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1wfy s ALA 91 CO 0.09 -0.33 0.00 1.17 0.00 0.00 0.00 175.76 176.69 1wfy n LYS 92 N 3.47 0.00 -4.15 0.00 4.81 -1.26 -5.06 118.16 115.97 1wfy n LYS 92 Ca -0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.15 1wfy n LYS 92 Cb 0.57 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.54 1wfy n LYS 92 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1wfy s MET 93 N -1.37 1.31 -0.17 1.64 -1.94 -1.26 -5.05 119.30 112.47 1wfy s MET 93 Ca 0.00 -1.54 -0.13 0.00 -1.71 0.00 0.00 55.69 52.31 1wfy s MET 93 Cb 0.00 0.33 -0.07 0.00 2.01 0.00 0.00 34.83 37.10 1wfy s MET 93 CO 0.00 -0.47 -0.13 0.45 -0.01 0.00 0.00 175.02 174.86 1wfy n SER 94 N -0.34 1.84 -2.68 3.03 2.88 -1.26 -4.98 113.62 112.11 1wfy n SER 94 Ca 0.01 0.54 0.01 0.00 -1.33 0.00 0.00 58.87 58.10 1wfy n SER 94 Cb 0.65 -0.87 0.02 0.00 -0.75 0.00 0.00 64.21 63.25 1wfy n SER 94 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1wfy s GLU 95 N -2.37 0.05 0.01 -1.46 2.12 -1.26 -5.14 118.70 110.65 1wfy s GLU 95 Ca -0.21 -0.02 -0.26 0.00 0.36 0.00 0.00 54.97 54.84 1wfy s GLU 95 Cb 0.04 0.00 0.09 0.00 0.26 0.00 0.00 34.13 34.52 1wfy s GLU 95 CO 0.33 -0.07 1.17 0.00 -0.54 0.00 0.00 175.26 176.16 1wfy n ALA 96 N 3.32 -3.27 0.00 6.30 0.00 -1.26 -5.01 120.51 120.59 1wfy n ALA 96 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1wfy n ALA 96 Cb 0.65 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1wfy n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wfy n ARG 97 N -0.84 0.00 -3.15 0.00 0.63 -1.26 -4.25 116.66 107.79 1wfy n ARG 97 Ca 0.03 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.02 1wfy n ARG 97 Cb 0.55 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.45 1wfy n ARG 97 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wfy s SER 98 N 0.00 -0.27 -0.69 6.15 0.15 -1.26 -5.09 113.70 112.69 1wfy s SER 98 Ca 0.00 0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.45 1wfy s SER 98 Cb 0.00 1.18 -0.12 0.00 -1.71 0.00 0.00 66.02 65.37 1wfy s SER 98 CO 0.00 -0.05 2.42 -1.54 1.20 0.00 0.00 173.24 175.27 1wfy n SER 99 N 5.17 1.88 -3.45 5.45 3.41 -1.26 -4.83 113.62 119.99 1wfy n SER 99 Ca 0.06 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.45 1wfy n SER 99 Cb 0.57 -1.59 -0.03 0.00 -0.26 0.00 0.00 64.21 62.90 1wfy n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfy s GLY 100 N 11.08 -0.60 0.06 5.00 0.00 -1.26 -5.06 107.32 116.53 1wfy s GLY 100 Ca 0.97 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 46.27 1wfy s GLY 100 CO 0.17 0.38 1.19 -0.56 0.00 0.00 0.00 173.10 174.28 1wfy h PRO 101 N 2.26 0.61 -2.31 2.90 0.13 -2.05 -3.50 132.00 130.05 1wfy h PRO 101 Ca -0.32 -0.60 0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1wfy h PRO 101 Cb 1.26 0.15 -0.12 0.00 0.13 0.00 0.00 31.00 32.42 1wfy h PRO 101 CO 0.38 1.21 -0.84 0.43 -0.23 0.00 0.00 178.00 178.95 1wfy n SER 102 N -4.04 -5.14 0.05 1.44 7.64 -1.26 -4.99 113.62 107.32 1wfy n SER 102 Ca -0.10 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1wfy n SER 102 Cb 0.75 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1wfy n SER 102 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfy n SER 103 N -3.51 0.93 0.00 6.43 2.88 -1.26 -5.29 113.62 113.79 1wfy n SER 103 Ca -0.06 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wfy n SER 103 Cb 0.45 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42