#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 -0.15 0.17 1.61 0.01 -1.26 -5.19 113.70 108.89 1wfy s SER 2 Ca 0.00 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 1wfy s SER 2 Cb 0.00 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1wfy s SER 2 CO 0.00 -0.77 0.94 -0.94 0.41 0.00 0.00 173.24 172.88 1wfy s SER 3 N -2.96 -0.18 0.05 2.44 1.04 -1.26 -5.19 113.70 107.65 1wfy s SER 3 Ca 0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wfy s SER 3 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wfy s SER 3 CO 0.01 -0.95 0.06 0.61 0.98 0.00 0.00 173.24 173.95 1wfy n GLY 4 N -0.48 3.23 3.85 7.32 0.00 -1.26 -5.19 105.19 112.66 1wfy n GLY 4 Ca -0.06 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 1wfy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfy s SER 5 N -1.31 -0.24 0.16 1.61 1.04 -1.26 -5.19 113.70 108.51 1wfy s SER 5 Ca 0.04 -0.65 -0.23 0.00 0.48 0.00 0.00 55.95 55.59 1wfy s SER 5 Cb -0.00 0.73 0.07 0.00 0.10 0.00 0.00 66.02 66.92 1wfy s SER 5 CO 0.03 -1.36 0.61 -0.94 0.98 0.00 0.00 173.24 172.56 1wfy s SER 6 N -2.93 -0.55 0.34 7.02 1.04 -1.26 -5.18 113.70 112.17 1wfy s SER 6 Ca 0.12 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.62 1wfy s SER 6 Cb -0.06 0.60 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1wfy s SER 6 CO 0.07 -0.97 -0.07 -0.83 0.98 0.00 0.00 173.24 172.42 1wfy s GLY 7 N -2.75 2.12 0.01 7.32 0.00 -1.26 -4.98 107.32 107.78 1wfy s GLY 7 Ca 0.01 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1wfy s GLY 7 CO -0.12 -1.98 0.00 1.22 0.00 0.00 0.00 173.10 172.21 1wfy n ASP 8 N -0.82 -0.06 -1.45 1.64 8.00 -1.26 -5.16 116.55 117.44 1wfy n ASP 8 Ca -0.05 0.04 0.18 0.00 0.71 0.00 0.00 54.79 55.67 1wfy n ASP 8 Cb 0.63 0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.80 1wfy n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfy n GLN 9 N -2.16 -3.25 -4.60 -1.24 1.13 -1.26 -4.95 117.38 101.05 1wfy n GLN 9 Ca 0.00 2.59 -0.22 0.00 -1.94 0.00 0.00 57.00 57.43 1wfy n GLN 9 Cb 0.00 -3.84 -0.15 0.00 0.11 0.00 0.00 30.24 26.37 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 -4.03 1.15 0.05 -1.09 2.02 -1.26 -5.01 118.70 110.53 1wfy s GLU 10 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1wfy s GLU 10 Cb 0.00 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 33.09 1wfy s GLU 10 CO 0.00 0.30 0.00 0.28 0.02 0.00 0.00 175.26 175.86 1wfy n VAL 11 N 2.43 0.04 0.00 2.63 0.31 -1.26 -5.05 118.33 117.43 1wfy n VAL 11 Ca -0.15 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1wfy n VAL 11 Cb 0.55 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1wfy n VAL 11 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1wfy n ARG 12 N -2.74 0.00 -2.77 5.55 -4.01 -1.26 -5.10 116.66 106.32 1wfy n ARG 12 Ca 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1wfy n ARG 12 Cb 0.07 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.49 1wfy n ARG 12 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1wfy n LEU 13 N -1.18 -7.63 -4.03 2.89 0.00 -1.26 -4.89 117.00 100.90 1wfy n LEU 13 Ca 0.00 1.33 -0.43 0.00 0.00 0.00 0.00 56.01 56.91 1wfy n LEU 13 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 43.42 40.23 1wfy n LEU 13 CO 0.00 -3.05 1.13 1.21 0.00 0.00 0.00 177.39 176.68 1wfy n GLU 14 N 0.75 4.36 -3.71 1.96 2.13 -1.26 -4.95 120.64 119.92 1wfy n GLU 14 Ca 0.00 -4.51 -0.10 0.00 0.66 0.00 0.00 57.16 53.21 1wfy n GLU 14 Cb 0.06 -2.53 -0.05 0.00 0.27 0.00 0.00 31.44 29.19 1wfy n GLU 14 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1wfy s ASN 15 N -1.35 -0.20 -0.18 4.31 2.47 -1.26 -5.11 114.94 113.61 1wfy s ASN 15 Ca 0.31 -0.44 -0.42 0.00 0.42 0.00 0.00 52.86 52.74 1wfy s ASN 15 Cb 0.03 0.50 -0.19 0.00 -1.45 0.00 0.00 41.25 40.15 1wfy s ASN 15 CO 0.08 -0.92 1.39 0.54 -3.72 0.00 0.00 177.10 174.48 1wfy n ARG 16 N -0.25 0.41 -4.02 0.43 3.00 -1.26 -4.44 116.66 110.52 1wfy n ARG 16 Ca -0.13 0.15 -0.23 0.00 -0.01 0.00 0.00 57.85 57.63 1wfy n ARG 16 Cb 0.63 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.35 1wfy n ARG 16 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wfy s ILE 17 N 1.60 4.95 0.07 0.55 -5.25 -0.89 -4.92 121.20 117.30 1wfy s ILE 17 Ca 0.95 -1.05 0.00 0.00 -0.99 0.00 0.00 60.65 59.57 1wfy s ILE 17 Cb -1.25 -3.63 -0.04 0.00 2.95 0.00 0.00 42.46 40.49 1wfy s ILE 17 CO 0.64 -0.25 -0.05 -0.89 -1.79 0.00 0.00 174.94 172.60 1wfy s THR 18 N -1.93 0.44 0.20 8.37 2.01 -1.26 -1.69 115.64 121.77 1wfy s THR 18 Ca 0.33 -1.73 -0.16 0.00 0.31 0.00 0.00 61.69 60.44 1wfy s THR 18 Cb -0.09 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1wfy s THR 18 CO 0.27 -0.86 0.50 0.72 -0.69 0.00 0.00 174.62 174.57 1wfy s PHE 19 N -3.39 -0.00 0.11 4.92 -0.12 -0.40 -4.59 117.98 114.52 1wfy s PHE 19 Ca 0.06 -0.35 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1wfy s PHE 19 Cb 0.04 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1wfy s PHE 19 CO -0.06 -0.92 0.22 -0.65 -0.05 0.00 0.00 175.22 173.76 1wfy s GLN 20 N -3.90 3.32 -0.00 1.99 -0.21 -1.26 -0.12 119.66 119.47 1wfy s GLN 20 Ca 0.12 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 54.97 1wfy s GLN 20 Cb -0.01 -2.93 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1wfy s GLN 20 CO -0.00 0.55 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.37 1wfy s LEU 21 N -2.88 2.06 -0.40 2.90 0.20 0.52 -1.40 118.68 119.68 1wfy s LEU 21 Ca 0.34 -0.35 -0.16 0.00 0.69 0.00 0.00 54.13 54.64 1wfy s LEU 21 Cb -0.12 -0.89 0.02 0.00 -0.43 0.00 0.00 46.19 44.77 1wfy s LEU 21 CO 0.27 0.20 0.37 -0.70 -0.29 0.00 0.00 176.35 176.20 1wfy s GLU 22 N -0.57 3.12 -1.42 1.98 2.12 0.17 -1.11 118.70 123.00 1wfy s GLU 22 Ca 0.06 -0.81 -0.13 0.00 0.36 0.00 0.00 54.97 54.45 1wfy s GLU 22 Cb -0.07 -3.95 0.07 0.00 0.26 0.00 0.00 34.13 30.44 1wfy s GLU 22 CO -0.00 -0.76 2.15 1.28 -0.54 0.00 0.00 175.26 177.39 1wfy n LEU 23 N 5.39 6.78 -0.00 2.70 4.77 -1.23 -0.53 117.00 134.88 1wfy n LEU 23 Ca -0.09 -4.24 -0.00 0.00 -0.03 0.00 0.00 56.01 51.65 1wfy n LEU 23 Cb 0.48 -1.63 -0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1wfy n LEU 23 CO 0.43 1.14 0.50 0.52 -1.33 0.00 0.00 177.39 178.65 1wfy n VAL 24 N 4.77 -0.00 -0.50 4.08 0.31 -1.23 0.17 118.33 125.92 1wfy n VAL 24 Ca 0.49 1.49 0.42 0.00 -0.01 0.00 0.00 64.34 66.73 1wfy n VAL 24 Cb 0.39 -1.98 0.73 0.00 -0.91 0.00 0.00 33.84 32.06 1wfy n VAL 24 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wfy h GLY 25 N 0.00 0.48 0.00 2.92 0.00 -1.87 -3.39 103.07 101.21 1wfy h GLY 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1wfy h GLY 25 CO -0.00 -0.13 0.00 -0.10 0.00 0.00 0.00 176.54 176.31 1wfy n LEU 26 N -4.28 0.00 -3.03 3.11 0.00 0.44 -5.06 117.00 108.18 1wfy n LEU 26 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 56.20 1wfy n LEU 26 Cb 1.57 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.96 1wfy n LEU 26 CO 0.35 0.00 -0.10 -1.84 0.00 0.00 0.00 177.39 175.80 1wfy n GLU 27 N 0.00 0.64 -3.65 1.96 0.28 -1.18 -4.81 120.64 113.87 1wfy n GLU 27 Ca 0.00 -2.61 0.01 0.00 -0.16 0.00 0.00 57.16 54.40 1wfy n GLU 27 Cb 0.00 -1.39 -0.06 0.00 1.43 0.00 0.00 31.44 31.42 1wfy n GLU 27 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1wfy s ARG 28 N -0.18 0.07 -0.27 3.44 1.70 -1.26 -5.08 118.95 117.36 1wfy s ARG 28 Ca 0.33 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.42 1wfy s ARG 28 Cb 0.15 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1wfy s ARG 28 CO -0.16 -0.01 1.00 0.08 -1.08 0.00 0.00 175.30 175.12 1wfy s VAL 29 N 0.82 4.65 0.16 4.99 1.01 -1.26 -3.50 120.40 127.28 1wfy s VAL 29 Ca -0.05 1.77 0.03 0.00 0.00 0.00 0.00 61.98 63.73 1wfy s VAL 29 Cb -0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wfy s VAL 29 CO -0.11 -0.28 0.26 0.68 0.00 0.00 0.00 175.10 175.65 1wfy s VAL 30 N 3.29 5.12 0.11 2.92 -7.23 -0.27 -4.88 120.40 119.47 1wfy s VAL 30 Ca 0.42 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.85 1wfy s VAL 30 Cb -0.14 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1wfy s VAL 30 CO 0.10 -0.13 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.04 1wfy s ARG 31 N -3.31 2.03 -0.04 4.82 6.06 -1.26 0.19 118.95 127.44 1wfy s ARG 31 Ca 0.34 -1.08 0.02 0.00 -2.50 0.00 0.00 55.73 52.51 1wfy s ARG 31 Cb -0.11 -2.25 0.01 0.00 0.06 0.00 0.00 34.95 32.67 1wfy s ARG 31 CO 0.27 0.50 -0.07 0.42 -2.50 0.00 0.00 175.30 173.92 1wfy s ILE 32 N -1.21 0.72 -0.09 4.11 1.01 0.82 -4.93 121.20 121.63 1wfy s ILE 32 Ca 0.21 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1wfy s ILE 32 Cb -0.11 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 1wfy s ILE 32 CO 0.13 0.25 -0.23 -0.94 0.00 0.00 0.00 174.94 174.15 1wfy s SER 33 N 0.59 2.95 -0.19 3.58 1.04 -1.26 -1.27 113.70 119.14 1wfy s SER 33 Ca -0.09 -0.52 -0.31 0.00 0.48 0.00 0.00 55.95 55.50 1wfy s SER 33 Cb -0.12 -1.24 0.15 0.00 0.10 0.00 0.00 66.02 64.90 1wfy s SER 33 CO 0.01 0.16 1.16 0.00 0.98 0.00 0.00 173.24 175.55 1wfy s ALA 34 N 0.27 -2.02 0.64 5.32 0.00 -0.68 -5.03 121.76 120.26 1wfy s ALA 34 Ca -0.16 1.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 1wfy s ALA 34 Cb -0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 1wfy s ALA 34 CO 0.07 -0.40 0.45 0.36 0.00 0.00 0.00 175.76 176.24 1wfy n LYS 35 N 0.36 0.38 0.10 0.00 0.00 -1.26 -2.10 118.16 115.63 1wfy n LYS 35 Ca -0.04 0.16 -0.05 0.00 -0.00 0.00 0.00 58.31 58.38 1wfy n LYS 35 Cb 0.59 -1.69 -0.03 0.00 -0.00 0.00 0.00 35.03 33.90 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 -0.05 -0.33 -0.89 -1.58 0.13 -1.87 -3.32 132.00 124.10 1wfy h PRO 36 Ca -0.45 0.02 0.18 0.00 -0.87 0.00 0.00 66.00 64.88 1wfy h PRO 36 Cb 1.38 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.42 1wfy h PRO 36 CO 0.44 -0.21 -0.22 0.25 -0.23 0.00 0.00 178.00 178.02 1wfy n THR 37 N -5.00 -0.37 -0.91 1.56 -2.24 -1.26 -2.66 114.28 103.40 1wfy n THR 37 Ca -0.04 2.03 -0.35 0.00 -2.27 0.00 0.00 64.05 63.42 1wfy n THR 37 Cb 0.14 -2.80 0.08 0.00 -2.10 0.00 0.00 70.33 65.64 1wfy n THR 37 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wfy n LYS 38 N -5.44 -0.22 -2.33 -0.78 4.81 -1.25 -4.63 118.16 108.31 1wfy n LYS 38 Ca 0.14 -0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.27 1wfy n LYS 38 Cb 0.44 -1.33 0.15 0.00 0.02 0.00 0.00 35.03 34.31 1wfy n LYS 38 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1wfy s ARG 39 N -2.64 1.07 0.17 1.64 0.52 -1.26 -2.45 118.95 115.99 1wfy s ARG 39 Ca 0.46 -0.92 0.09 0.00 -0.52 0.00 0.00 55.73 54.84 1wfy s ARG 39 Cb -0.15 -2.12 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 1wfy s ARG 39 CO 0.75 -1.97 1.36 -0.07 0.02 0.00 0.00 175.30 175.38 1wfy h LEU 40 N -1.08 0.00 0.09 2.53 3.38 0.34 -1.53 115.31 119.03 1wfy h LEU 40 Ca -0.39 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.30 1wfy h LEU 40 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wfy h LEU 40 CO 0.36 0.86 -1.42 0.06 0.09 0.00 0.00 178.44 178.38 1wfy h GLN 41 N 0.00 0.18 0.00 1.13 3.07 -1.81 -2.21 115.11 115.48 1wfy h GLN 41 Ca -0.01 -0.31 -0.09 0.00 0.09 0.00 0.00 58.65 58.33 1wfy h GLN 41 Cb 1.61 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 29.27 1wfy h GLN 41 CO 0.11 1.04 -0.44 0.93 0.09 0.00 0.00 178.83 180.57 1wfy h GLU 42 N 0.05 0.00 0.00 0.06 4.39 -1.86 0.40 114.58 117.62 1wfy h GLU 42 Ca -0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 1wfy h GLU 42 Cb 1.97 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.60 1wfy h GLU 42 CO 0.15 0.44 -0.99 0.00 -1.16 0.00 0.00 179.01 177.45 1wfy h ALA 43 N 1.56 0.65 0.00 3.43 0.00 -1.34 -3.29 119.26 120.27 1wfy h ALA 43 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wfy h ALA 43 Cb 1.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wfy h ALA 43 CO 0.06 0.56 -1.30 1.28 0.00 0.00 0.00 179.25 179.84 1wfy n LEU 44 N -2.94 0.52 -0.11 0.00 7.99 -0.83 -4.24 117.00 117.40 1wfy n LEU 44 Ca -0.04 0.09 -0.05 0.00 -0.01 0.00 0.00 56.01 56.00 1wfy n LEU 44 Cb 0.72 -0.05 0.01 0.00 -0.11 0.00 0.00 43.42 43.99 1wfy n LEU 44 CO 0.41 -0.04 0.78 1.56 -1.51 0.00 0.00 177.39 178.59 1wfy h GLN 45 N 0.00 -0.01 0.00 3.23 1.08 -0.27 1.62 115.11 120.76 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 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1wfy h GLN 45 CO 0.00 -0.01 0.00 -0.35 -0.95 0.00 0.00 178.83 177.52 1wfy n PRO 46 N -5.30 0.51 -0.13 1.46 -0.04 -1.26 -1.20 135.00 129.04 1wfy n PRO 46 Ca 0.02 0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 1wfy n PRO 46 Cb 0.22 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 1.49 0.01 0.52 2.08 0.16 -3.72 119.36 118.73 1wfy n ILE 47 Ca 0.14 -0.50 -0.09 0.00 0.56 0.00 0.00 62.75 62.86 1wfy n ILE 47 Cb 0.14 -1.57 0.07 0.00 -0.75 0.00 0.00 39.64 37.53 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 -0.33 0.57 -1.29 1.39 3.38 0.22 0.51 115.31 119.76 1wfy h LEU 48 Ca -0.62 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.01 1wfy h LEU 48 Cb 1.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1wfy h LEU 48 CO -0.20 1.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.10 1wfy h ALA 49 N 1.01 1.09 0.00 1.53 0.00 -1.34 1.73 119.26 123.27 1wfy h ALA 49 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wfy h ALA 49 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wfy h ALA 49 CO 0.10 0.28 -1.27 1.17 0.00 0.00 0.00 179.25 179.53 1wfy n LYS 50 N -3.49 0.39 -0.14 0.00 4.81 -0.97 -3.92 118.16 114.84 1wfy n LYS 50 Ca -0.00 -0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1wfy n LYS 50 Cb 0.39 -1.59 0.14 0.00 0.02 0.00 0.00 35.03 33.99 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 -2.07 0.38 -2.26 5.64 8.25 0.18 -4.95 115.22 120.39 1wfy n HIS 51 Ca 0.00 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.92 1wfy n HIS 51 Cb 0.47 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 0.68 -0.11 0.17 -1.41 0.00 0.35 -4.96 105.19 99.91 1wfy n GLY 52 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.83 0.00 -3.75 0.99 4.77 0.50 -4.98 117.00 111.69 1wfy n LEU 53 Ca -0.21 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1wfy n LEU 53 Cb 0.66 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1wfy n LEU 53 CO 0.26 -0.48 0.03 -0.55 -1.33 0.00 0.00 177.39 175.32 1wfy s SER 54 N -1.16 -0.11 0.30 -1.43 0.15 -1.26 -4.40 113.70 105.80 1wfy s SER 54 Ca 0.03 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.53 1wfy s SER 54 Cb -0.00 0.37 0.46 0.00 -1.71 0.00 0.00 66.02 65.14 1wfy s SER 54 CO 0.02 -0.66 1.67 -0.07 1.20 0.00 0.00 173.24 175.39 1wfy h LEU 55 N 3.05 0.00 -1.83 3.45 3.38 -1.96 -1.07 115.31 120.34 1wfy h LEU 55 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1wfy h LEU 55 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wfy h LEU 55 CO 0.47 0.55 0.00 -0.67 0.09 0.00 0.00 178.44 178.88 1wfy n ASP 56 N -3.82 2.69 -0.05 -0.43 -0.08 -1.26 -4.31 116.55 109.29 1wfy n ASP 56 Ca -0.01 -1.93 -0.06 0.00 -1.51 0.00 0.00 54.79 51.27 1wfy n ASP 56 Cb 0.57 -0.27 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 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 0.97 0.36 -2.98 -0.67 1.13 -0.80 -5.00 117.38 110.40 1wfy n GLN 57 Ca 0.18 0.14 -0.38 0.00 -1.94 0.00 0.00 57.00 55.00 1wfy n GLN 57 Cb 0.45 -1.13 -0.06 0.00 0.11 0.00 0.00 30.24 29.61 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 -2.61 4.39 -0.24 5.09 -7.23 -0.47 -3.89 120.40 115.45 1wfy s VAL 58 Ca -0.20 1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 61.53 1wfy s VAL 58 Cb 0.03 -4.05 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 1wfy s VAL 58 CO 0.29 0.38 0.02 -0.69 -0.31 0.00 0.00 175.10 174.80 1wfy s VAL 59 N -1.32 3.85 0.03 1.32 1.01 -0.61 -4.78 120.40 119.90 1wfy s VAL 59 Ca 0.40 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1wfy s VAL 59 Cb -0.21 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1wfy s VAL 59 CO 0.25 0.36 0.54 -0.22 0.00 0.00 0.00 175.10 176.03 1wfy s LEU 60 N 1.55 4.47 -0.29 3.92 1.98 -1.26 -1.64 118.68 127.40 1wfy s LEU 60 Ca 0.06 1.16 -0.22 0.00 -2.89 0.00 0.00 54.13 52.24 1wfy s LEU 60 Cb -0.15 -2.84 0.18 0.00 0.66 0.00 0.00 46.19 44.04 1wfy s LEU 60 CO 0.00 0.22 1.30 -1.38 -1.89 0.00 0.00 176.35 174.60 1wfy s HIS 61 N -0.75 -0.17 0.96 5.38 -3.43 -1.00 -0.84 115.29 115.44 1wfy s HIS 61 Ca 0.28 0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 54.81 1wfy s HIS 61 Cb -0.18 0.36 0.16 0.00 -1.43 0.00 0.00 32.58 31.49 1wfy s HIS 61 CO 0.17 -0.08 1.09 1.03 -2.00 0.00 0.00 174.74 174.95 1wfy s ARG 62 N 0.39 0.75 -0.49 -0.38 0.52 -1.26 -1.05 118.95 117.43 1wfy s ARG 62 Ca 0.02 0.95 -0.28 0.00 -0.52 0.00 0.00 55.73 55.90 1wfy s ARG 62 Cb -0.04 -1.74 0.01 0.00 0.52 0.00 0.00 34.95 33.70 1wfy s ARG 62 CO -0.13 -2.63 1.46 -1.25 0.02 0.00 0.00 175.30 172.78 1wfy s PRO 63 N -4.79 3.37 0.00 3.54 0.04 -1.26 -2.91 135.00 132.99 1wfy s PRO 63 Ca 0.65 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1wfy s PRO 63 Cb -0.20 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1wfy s PRO 63 CO 0.59 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1wfy n GLY 64 N 5.23 3.48 3.77 0.56 0.00 -1.26 -5.10 105.19 111.87 1wfy n GLY 64 Ca 0.15 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1wfy n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfy s GLU 65 N 0.00 3.97 0.00 1.61 0.41 -1.15 -4.92 118.70 118.62 1wfy s GLU 65 Ca 0.00 2.31 0.21 0.00 -0.41 0.00 0.00 54.97 57.08 1wfy s GLU 65 Cb 0.00 -2.81 -0.23 0.00 -1.78 0.00 0.00 34.13 29.31 1wfy s GLU 65 CO 0.00 -0.55 0.57 0.36 -0.49 0.00 0.00 175.26 175.15 1wfy n LYS 66 N 0.19 0.65 -3.70 1.61 -0.00 -1.26 -4.80 118.16 110.84 1wfy n LYS 66 Ca 0.03 -0.05 -0.36 0.00 -0.00 0.00 0.00 58.31 57.92 1wfy n LYS 66 Cb 0.42 -1.62 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 1wfy n LYS 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1wfy s GLN 67 N -3.25 3.65 -0.02 -1.58 0.74 -1.26 -5.06 119.66 112.89 1wfy s GLN 67 Ca -0.06 0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.13 1wfy s GLN 67 Cb 0.11 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 1wfy s GLN 67 CO 0.86 0.70 1.21 -1.25 -0.55 0.00 0.00 175.29 176.26 1wfy s PRO 68 N -1.31 4.37 0.35 1.67 0.04 -1.26 -4.75 135.00 134.11 1wfy s PRO 68 Ca 0.22 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 1wfy s PRO 68 Cb -0.14 -3.51 -0.11 0.00 0.04 0.00 0.00 34.50 30.79 1wfy s PRO 68 CO 0.11 -0.40 1.41 -1.64 0.04 0.00 0.00 177.00 176.52 1wfy s MET 69 N 1.92 4.22 -0.08 4.56 -1.94 -0.02 -4.94 119.30 123.02 1wfy s MET 69 Ca 0.57 2.42 -0.30 0.00 -1.71 0.00 0.00 55.69 56.67 1wfy s MET 69 Cb -0.26 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 1wfy s MET 69 CO 0.24 -0.39 1.27 -0.51 -0.01 0.00 0.00 175.02 175.63 1wfy s ASP 70 N -0.27 6.97 0.44 3.03 1.11 -1.26 -4.70 116.67 121.99 1wfy s ASP 70 Ca 0.51 1.84 0.22 0.00 0.18 0.00 0.00 52.55 55.30 1wfy s ASP 70 Cb -0.44 -2.55 1.01 0.00 1.07 0.00 0.00 42.92 42.01 1wfy s ASP 70 CO 0.58 -0.68 1.88 -0.07 1.18 0.00 0.00 175.17 178.07 1wfy h LEU 71 N 8.82 0.00 -1.94 1.23 3.38 -1.93 -2.45 115.31 122.41 1wfy h LEU 71 Ca -0.32 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1wfy h LEU 71 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wfy h LEU 71 CO 0.92 0.25 0.37 1.05 0.09 0.00 0.00 178.44 181.12 1wfy h GLU 72 N 0.00 0.00 -7.12 1.13 4.11 -1.95 0.87 114.58 111.62 1wfy h GLU 72 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.95 1wfy h GLU 72 Cb 0.64 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.92 1wfy h GLU 72 CO 0.03 0.00 0.38 -0.80 0.07 0.00 0.00 179.01 178.69 1wfy s ASN 73 N -4.54 6.26 0.34 3.06 0.01 -0.93 -4.66 114.94 114.47 1wfy s ASN 73 Ca -0.03 1.84 -0.27 0.00 -0.71 0.00 0.00 52.86 53.69 1wfy s ASN 73 Cb 0.10 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 1wfy s ASN 73 CO 0.32 -0.84 1.07 -2.16 -1.51 0.00 0.00 177.10 173.97 1wfy s PRO 74 N -3.56 4.41 0.34 -0.60 0.04 -1.26 -0.53 135.00 133.84 1wfy s PRO 74 Ca 0.65 1.65 0.24 0.00 0.04 0.00 0.00 61.00 63.57 1wfy s PRO 74 Cb -0.15 -2.88 1.23 0.00 0.04 0.00 0.00 34.50 32.74 1wfy s PRO 74 CO 0.25 0.05 1.73 -0.39 0.04 0.00 0.00 177.00 178.68 1wfy h VAL 75 N 2.65 0.00 -0.10 -0.36 -1.51 -1.25 -1.08 116.25 114.61 1wfy h VAL 75 Ca -0.47 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 64.97 1wfy h VAL 75 Cb 1.21 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1wfy h VAL 75 CO 0.65 0.00 0.07 -1.28 -1.23 0.00 0.00 177.57 175.78 1wfy h SER 76 N 0.00 0.00 0.78 4.19 0.87 -1.80 -0.09 113.55 117.50 1wfy h SER 76 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1wfy h SER 76 Cb 0.08 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1wfy h SER 76 CO 0.00 0.00 -1.25 0.28 -0.53 0.00 0.00 176.83 175.33 1wfy h SER 77 N 0.00 0.09 -0.93 6.23 0.02 -1.53 -3.28 113.55 114.14 1wfy h SER 77 Ca 0.05 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.29 1wfy h SER 77 Cb 0.20 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 62.46 1wfy h SER 77 CO -0.00 1.09 0.77 1.33 -1.14 0.00 0.00 176.83 178.88 1wfy n VAL 78 N -3.31 3.42 -3.01 2.27 0.24 -0.11 -4.53 118.33 113.31 1wfy n VAL 78 Ca -0.07 -2.70 -0.24 0.00 -2.04 0.00 0.00 64.34 59.28 1wfy n VAL 78 Cb 0.99 -1.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 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 -0.55 3.90 0.22 2.33 0.00 -0.83 -4.62 120.51 120.97 1wfy n ALA 79 Ca 0.54 -4.33 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1wfy n ALA 79 Cb 0.61 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.10 -3.70 -4.98 0.00 2.88 -1.26 -4.93 113.62 101.53 1wfy n SER 80 Ca 0.29 0.84 -0.19 0.00 -1.33 0.00 0.00 58.87 58.48 1wfy n SER 80 Cb 0.47 3.47 0.04 0.00 -0.75 0.00 0.00 64.21 67.44 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 2.50 0.05 -1.46 -0.21 -1.26 -5.01 119.66 112.26 1wfy s GLN 81 Ca 0.00 -1.31 -0.19 0.00 0.02 0.00 0.00 55.36 53.88 1wfy s GLN 81 Cb 0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1wfy s GLN 81 CO 0.00 -0.65 0.54 0.99 -2.12 0.00 0.00 175.29 174.05 1wfy s THR 82 N -2.59 4.80 0.40 -0.19 2.01 -1.26 -4.48 115.64 114.33 1wfy s THR 82 Ca 0.59 1.16 0.08 0.00 0.31 0.00 0.00 61.69 63.82 1wfy s THR 82 Cb -0.08 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1wfy s THR 82 CO 0.37 0.55 0.54 -0.76 -0.69 0.00 0.00 174.62 174.62 1wfy s LEU 83 N -1.02 3.72 -0.10 4.42 1.43 -0.49 -4.19 118.68 122.43 1wfy s LEU 83 Ca 0.28 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1wfy s LEU 83 Cb -0.19 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1wfy s LEU 83 CO 0.18 -0.68 -0.10 -0.69 0.23 0.00 0.00 176.35 175.29 1wfy s VAL 84 N -2.32 1.17 -0.03 -1.59 1.01 -0.21 0.46 120.40 118.89 1wfy s VAL 84 Ca 0.52 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1wfy s VAL 84 Cb -0.10 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1wfy s VAL 84 CO 0.32 0.38 0.34 -0.22 0.00 0.00 0.00 175.10 175.93 1wfy s LEU 85 N 1.32 4.45 -0.41 3.92 1.98 0.31 -2.38 118.68 127.86 1wfy s LEU 85 Ca -0.02 0.84 0.02 0.00 -2.89 0.00 0.00 54.13 52.09 1wfy s LEU 85 Cb -0.14 -2.46 0.12 0.00 0.66 0.00 0.00 46.19 44.37 1wfy s LEU 85 CO -0.05 0.34 0.17 -0.62 -1.89 0.00 0.00 176.35 174.31 1wfy s ASP 86 N -1.03 4.12 0.75 3.68 -1.08 -0.65 -3.56 116.67 118.91 1wfy s ASP 86 Ca 0.22 -2.40 -0.13 0.00 -0.52 0.00 0.00 52.55 49.72 1wfy s ASP 86 Cb -0.16 -1.26 0.05 0.00 -1.46 0.00 0.00 42.92 40.09 1wfy s ASP 86 CO 0.11 -0.32 1.13 0.42 0.52 0.00 0.00 175.17 177.03 1wfy s THR 87 N 0.60 2.91 0.73 1.71 -4.23 -1.26 -1.58 115.64 114.52 1wfy s THR 87 Ca 0.14 0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.90 1wfy s THR 87 Cb -0.22 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1wfy s THR 87 CO -0.07 -0.32 1.07 -2.16 -0.54 0.00 0.00 174.62 172.60 1wfy s PRO 88 N -4.44 2.68 -0.95 3.99 0.04 -1.25 -4.90 135.00 130.18 1wfy s PRO 88 Ca 0.66 0.86 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 1wfy s PRO 88 Cb -0.21 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1wfy s PRO 88 CO 0.50 -1.26 2.56 -0.35 0.04 0.00 0.00 177.00 178.50 1wfy n PRO 89 N -3.22 2.50 0.06 0.56 -0.04 -1.26 -3.00 135.00 130.59 1wfy n PRO 89 Ca 0.07 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1wfy n PRO 89 Cb 0.54 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1wfy n PRO 89 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wfy n ASP 90 N 3.64 -1.02 -3.34 3.54 -0.08 -1.26 -4.97 116.55 113.06 1wfy n ASP 90 Ca 0.53 0.22 -0.32 0.00 -1.51 0.00 0.00 54.79 53.71 1wfy n ASP 90 Cb 0.29 1.31 -0.02 0.00 2.34 0.00 0.00 41.12 45.04 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfy n ALA 91 N -2.72 5.41 -3.00 -1.67 0.00 -1.16 -4.75 120.51 112.62 1wfy n ALA 91 Ca 0.00 -2.83 -0.12 0.00 0.00 0.00 0.00 53.44 50.49 1wfy n ALA 91 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 19.45 16.15 1wfy n ALA 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wfy s LYS 92 N 3.27 1.79 0.13 0.00 1.02 -1.26 -4.79 119.74 119.90 1wfy s LYS 92 Ca 0.52 -1.58 -0.32 0.00 0.02 0.00 0.00 55.97 54.60 1wfy s LYS 92 Cb 0.13 0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 37.81 1wfy s LYS 92 CO -0.03 -0.75 1.56 1.98 -0.92 0.00 0.00 175.35 177.20 1wfy h MET 93 N 2.17 -0.42 -2.28 1.68 4.05 -1.98 -3.48 114.93 114.68 1wfy h MET 93 Ca -0.28 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.25 1wfy h MET 93 Cb 1.24 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 1wfy h MET 93 CO 0.39 -0.28 -0.68 0.45 0.23 0.00 0.00 176.91 177.01 1wfy n SER 94 N -5.40 -5.14 -3.72 1.39 2.88 -1.26 -5.05 113.62 97.32 1wfy n SER 94 Ca -0.04 1.08 -0.14 0.00 -1.33 0.00 0.00 58.87 58.45 1wfy n SER 94 Cb 0.36 -2.93 -0.09 0.00 -0.75 0.00 0.00 64.21 60.80 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 -4.48 0.57 0.47 -1.46 2.12 -1.26 -5.14 118.70 109.52 1wfy s GLU 95 Ca 0.00 0.43 -0.19 0.00 0.36 0.00 0.00 54.97 55.56 1wfy s GLU 95 Cb 0.00 0.27 -0.14 0.00 0.26 0.00 0.00 34.13 34.52 1wfy s GLU 95 CO 0.00 -0.10 0.10 0.00 -0.54 0.00 0.00 175.26 174.71 1wfy n ALA 96 N 2.42 -2.64 0.00 6.30 0.00 -1.26 -4.97 120.51 120.36 1wfy n ALA 96 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wfy n ALA 96 Cb 0.57 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.16 0.00 -0.10 0.00 0.63 -1.26 -5.08 116.66 112.02 1wfy n ARG 97 Ca 0.10 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.89 1wfy n ARG 97 Cb 0.44 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.29 1wfy n ARG 97 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wfy n SER 98 N 0.00 1.89 0.00 6.15 2.88 -1.26 -4.95 113.62 118.32 1wfy n SER 98 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wfy n SER 98 Cb 0.00 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1wfy n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfy n SER 99 N -4.46 0.00 -1.76 -3.46 2.88 -1.26 -4.67 113.62 100.89 1wfy n SER 99 Ca -0.24 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1wfy n SER 99 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1wfy n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfy n GLY 100 N 0.00 -3.41 3.77 0.46 0.00 -1.26 -5.05 105.19 99.70 1wfy n GLY 100 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wfy n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfy s PRO 101 N -0.78 0.05 0.37 1.61 0.04 -1.26 -4.92 135.00 130.11 1wfy s PRO 101 Ca -0.05 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1wfy s PRO 101 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1wfy s PRO 101 CO 0.19 -2.86 0.00 0.43 0.04 0.00 0.00 177.00 174.80 1wfy n SER 102 N -4.14 -5.78 -3.15 6.66 7.64 -1.26 -5.01 113.62 108.57 1wfy n SER 102 Ca 0.12 0.80 0.05 0.00 1.01 0.00 0.00 58.87 60.86 1wfy n SER 102 Cb 0.59 -3.28 -0.00 0.00 -1.01 0.00 0.00 64.21 60.52 1wfy n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfy s SER 103 N -6.45 -0.46 0.00 6.43 0.15 -1.26 -5.24 113.70 106.86 1wfy s SER 103 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1wfy s SER 103 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1wfy s SER 103 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97