#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 -0.03 0.23 1.61 0.15 -1.26 -5.09 113.70 109.30 1wfy s SER 2 Ca 0.00 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1wfy s SER 2 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wfy s SER 2 CO 0.00 -1.13 0.00 -1.20 1.20 0.00 0.00 173.24 172.11 1wfy n SER 3 N -0.42 0.12 0.00 5.45 7.64 -1.26 -5.17 113.62 119.98 1wfy n SER 3 Ca -0.01 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1wfy n SER 3 Cb 0.62 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1wfy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfy n GLY 4 N 1.98 -0.17 3.57 0.23 0.00 -1.26 -5.10 105.19 104.45 1wfy n GLY 4 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1wfy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfy s SER 5 N -0.94 -0.21 0.00 1.61 0.01 -1.26 -5.19 113.70 107.72 1wfy s SER 5 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wfy s SER 5 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1wfy s SER 5 CO 0.00 -0.40 0.00 -1.20 0.41 0.00 0.00 173.24 172.05 1wfy n SER 6 N -0.19 0.00 0.00 2.44 7.64 -1.26 -5.19 113.62 117.06 1wfy n SER 6 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wfy n SER 6 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wfy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfy n GLY 7 N -0.27 -0.54 3.65 0.23 0.00 -1.26 -5.17 105.19 101.82 1wfy n GLY 7 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 1wfy n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wfy s ASP 8 N 0.00 -0.06 0.16 1.61 -4.77 -1.26 -5.19 116.67 107.16 1wfy s ASP 8 Ca 0.00 0.12 -0.09 0.00 -3.30 0.00 0.00 52.55 49.28 1wfy s ASP 8 Cb 0.00 0.16 -0.01 0.00 -1.09 0.00 0.00 42.92 41.99 1wfy s ASP 8 CO 0.00 -0.02 0.30 -1.10 0.70 0.00 0.00 175.17 175.04 1wfy s GLN 9 N 0.07 1.16 0.01 2.11 -0.21 -1.26 -5.17 119.66 116.37 1wfy s GLN 9 Ca 0.07 -1.15 0.04 0.00 0.02 0.00 0.00 55.36 54.33 1wfy s GLN 9 Cb -0.05 0.38 -0.01 0.00 1.00 0.00 0.00 33.01 34.33 1wfy s GLN 9 CO -0.15 -0.43 -0.11 -1.21 -2.12 0.00 0.00 175.29 171.27 1wfy s GLU 10 N -3.96 0.86 0.00 2.91 2.02 -1.26 -5.05 118.70 114.22 1wfy s GLU 10 Ca 0.16 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1wfy s GLU 10 Cb 0.03 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.43 1wfy s GLU 10 CO -0.00 0.22 0.00 0.28 0.02 0.00 0.00 175.26 175.78 1wfy n VAL 11 N 2.51 0.00 -1.90 2.63 0.31 -1.26 -5.08 118.33 115.54 1wfy n VAL 11 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 1wfy n VAL 11 Cb 0.56 -0.37 0.01 0.00 -0.91 0.00 0.00 33.84 33.12 1wfy n VAL 11 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wfy s ARG 12 N -0.95 3.79 -0.10 5.55 1.81 -1.26 -5.02 118.95 122.78 1wfy s ARG 12 Ca 0.00 2.31 -0.27 0.00 -1.72 0.00 0.00 55.73 56.04 1wfy s ARG 12 Cb 0.00 -2.69 0.06 0.00 -0.45 0.00 0.00 34.95 31.88 1wfy s ARG 12 CO 0.00 -0.69 0.64 -1.17 -0.68 0.00 0.00 175.30 173.39 1wfy s LEU 13 N -2.62 -0.47 -0.52 2.53 2.96 -1.26 -5.02 118.68 114.27 1wfy s LEU 13 Ca 0.60 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 55.21 1wfy s LEU 13 Cb -0.41 2.34 0.01 0.00 0.50 0.00 0.00 46.19 48.63 1wfy s LEU 13 CO 0.53 -0.49 0.63 -0.62 -1.32 0.00 0.00 176.35 175.07 1wfy n GLU 14 N 1.42 -2.08 -3.30 1.98 1.02 -1.26 -5.05 120.64 113.37 1wfy n GLU 14 Ca -0.18 1.95 0.03 0.00 -0.02 0.00 0.00 57.16 58.93 1wfy n GLU 14 Cb 0.56 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 1wfy n GLU 14 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1wfy s ASN 15 N -2.72 -0.47 -0.08 1.62 2.47 -1.26 -5.16 114.94 109.34 1wfy s ASN 15 Ca 0.18 0.55 -0.03 0.00 0.42 0.00 0.00 52.86 53.97 1wfy s ASN 15 Cb -0.05 1.50 0.04 0.00 -1.45 0.00 0.00 41.25 41.29 1wfy s ASN 15 CO 0.76 -0.09 0.16 0.00 -3.72 0.00 0.00 177.10 174.22 1wfy s ARG 16 N 2.50 0.09 0.09 0.43 1.04 -1.26 -4.24 118.95 117.60 1wfy s ARG 16 Ca -0.01 0.46 0.02 0.00 -1.04 0.00 0.00 55.73 55.15 1wfy s ARG 16 Cb -0.06 -0.20 -0.04 0.00 -2.04 0.00 0.00 34.95 32.61 1wfy s ARG 16 CO -0.16 -0.21 0.19 0.96 -0.04 0.00 0.00 175.30 176.04 1wfy s ILE 17 N 1.55 5.12 0.10 4.99 -5.25 -1.07 -4.93 121.20 121.71 1wfy s ILE 17 Ca -0.05 -0.60 0.06 0.00 -0.99 0.00 0.00 60.65 59.07 1wfy s ILE 17 Cb -0.12 -3.54 -0.03 0.00 2.95 0.00 0.00 42.46 41.72 1wfy s ILE 17 CO -0.06 0.06 -0.15 -0.89 -1.79 0.00 0.00 174.94 172.11 1wfy s THR 18 N -1.56 1.30 0.15 8.37 2.01 -1.26 -2.32 115.64 122.32 1wfy s THR 18 Ca 0.33 -1.56 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1wfy s THR 18 Cb -0.12 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.03 1wfy s THR 18 CO 0.26 -0.31 0.37 0.72 -0.69 0.00 0.00 174.62 174.97 1wfy s PHE 19 N -1.74 0.05 0.20 4.92 -0.12 -0.42 -4.48 117.98 116.40 1wfy s PHE 19 Ca 0.05 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 1wfy s PHE 19 Cb -0.07 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 1wfy s PHE 19 CO 0.03 -0.75 0.29 -0.65 -0.05 0.00 0.00 175.22 174.09 1wfy s GLN 20 N -3.88 3.34 0.04 1.99 -0.21 -1.26 0.33 119.66 120.01 1wfy s GLN 20 Ca 0.09 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.80 1wfy s GLN 20 Cb 0.02 -2.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 1wfy s GLN 20 CO -0.05 0.47 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.24 1wfy s LEU 21 N -3.59 2.16 -0.57 2.90 0.20 0.44 -1.25 118.68 118.98 1wfy s LEU 21 Ca 0.34 -0.48 -0.13 0.00 0.69 0.00 0.00 54.13 54.55 1wfy s LEU 21 Cb -0.10 -0.79 0.14 0.00 -0.43 0.00 0.00 46.19 45.01 1wfy s LEU 21 CO 0.28 0.10 0.49 -0.70 -0.29 0.00 0.00 176.35 176.23 1wfy s GLU 22 N -1.13 2.90 -0.86 1.98 2.12 0.29 -1.47 118.70 122.53 1wfy s GLU 22 Ca 0.05 -1.88 -0.21 0.00 0.36 0.00 0.00 54.97 53.28 1wfy s GLU 22 Cb -0.08 -4.18 -0.14 0.00 0.26 0.00 0.00 34.13 30.00 1wfy s GLU 22 CO 0.01 -1.27 1.95 1.28 -0.54 0.00 0.00 175.26 176.69 1wfy n LEU 23 N 4.87 4.23 -0.35 2.70 4.77 -1.04 -1.44 117.00 130.75 1wfy n LEU 23 Ca -0.07 -3.02 0.13 0.00 -0.03 0.00 0.00 56.01 53.02 1wfy n LEU 23 Cb 0.41 -1.21 0.26 0.00 -2.33 0.00 0.00 43.42 40.55 1wfy n LEU 23 CO 0.47 -0.35 0.77 0.58 -1.33 0.00 0.00 177.39 177.52 1wfy h VAL 24 N 4.57 0.01 -0.73 4.08 2.07 -1.84 1.52 116.25 125.93 1wfy h VAL 24 Ca 0.42 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1wfy h VAL 24 Cb 0.69 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1wfy h VAL 24 CO 1.90 0.00 0.47 1.23 0.02 0.00 0.00 177.57 181.19 1wfy h GLY 25 N 0.00 1.03 -7.56 2.17 0.00 -1.84 -3.35 103.07 93.52 1wfy h GLY 25 Ca 0.57 -0.40 -0.68 0.00 0.00 0.00 0.00 47.33 46.82 1wfy h GLY 25 CO -0.95 0.39 -0.60 -2.27 0.00 0.00 0.00 176.54 173.10 1wfy s LEU 26 N -10.10 5.00 -0.92 3.11 2.96 0.52 -5.03 118.68 114.22 1wfy s LEU 26 Ca -0.13 -2.23 -0.22 0.00 -0.22 0.00 0.00 54.13 51.33 1wfy s LEU 26 Cb 0.15 -1.74 -0.23 0.00 0.50 0.00 0.00 46.19 44.86 1wfy s LEU 26 CO 0.78 -0.44 2.45 -1.84 -1.32 0.00 0.00 176.35 175.98 1wfy n GLU 27 N 4.25 0.18 0.00 1.98 0.28 -1.12 -4.24 120.64 121.97 1wfy n GLU 27 Ca 0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1wfy n GLU 27 Cb 0.41 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1wfy n GLU 27 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1wfy n ARG 28 N 7.58 -0.65 -4.90 3.44 1.85 -1.26 -5.01 116.66 117.70 1wfy n ARG 28 Ca 0.61 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 57.18 1wfy n ARG 28 Cb 0.17 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.41 1wfy n ARG 28 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wfy s VAL 29 N -2.00 1.58 0.24 8.89 1.01 -1.26 -2.51 120.40 126.35 1wfy s VAL 29 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 61.35 1wfy s VAL 29 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1wfy s VAL 29 CO 0.00 0.45 -0.21 0.68 0.00 0.00 0.00 175.10 176.02 1wfy s VAL 30 N 0.42 2.48 0.04 2.92 -7.23 -0.54 -4.92 120.40 113.57 1wfy s VAL 30 Ca -0.15 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 57.88 1wfy s VAL 30 Cb -0.16 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1wfy s VAL 30 CO 0.06 -0.27 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.83 1wfy s ARG 31 N -3.13 2.17 -0.02 4.82 3.52 -1.26 0.17 118.95 125.22 1wfy s ARG 31 Ca 0.26 -0.94 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 1wfy s ARG 31 Cb -0.06 -2.26 -0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1wfy s ARG 31 CO 0.13 0.55 -0.13 0.42 -0.81 0.00 0.00 175.30 175.46 1wfy s ILE 32 N -0.96 1.03 -0.07 4.11 1.01 0.15 -4.95 121.20 121.52 1wfy s ILE 32 Ca 0.16 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1wfy s ILE 32 Cb -0.11 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1wfy s ILE 32 CO 0.06 0.30 -0.17 -0.94 0.00 0.00 0.00 174.94 174.19 1wfy s SER 33 N -0.05 2.33 -0.19 3.58 1.04 -1.26 -1.30 113.70 117.85 1wfy s SER 33 Ca 0.00 -0.40 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 1wfy s SER 33 Cb -0.08 -1.00 0.14 0.00 0.10 0.00 0.00 66.02 65.19 1wfy s SER 33 CO 0.00 0.10 1.11 0.00 0.98 0.00 0.00 173.24 175.44 1wfy s ALA 34 N 0.44 -1.99 0.61 5.32 0.00 -0.98 -5.05 121.76 120.11 1wfy s ALA 34 Ca -0.14 1.63 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1wfy s ALA 34 Cb -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 1wfy s ALA 34 CO 0.05 -0.35 0.34 0.36 0.00 0.00 0.00 175.76 176.16 1wfy n LYS 35 N 0.50 0.34 0.09 0.00 0.00 -1.26 -2.61 118.16 115.22 1wfy n LYS 35 Ca -0.06 0.14 -0.05 0.00 -0.00 0.00 0.00 58.31 58.34 1wfy n LYS 35 Cb 0.58 -1.57 -0.02 0.00 -0.00 0.00 0.00 35.03 34.02 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 -0.01 -0.32 -1.50 -1.58 0.13 -1.88 -3.26 132.00 123.57 1wfy h PRO 36 Ca -0.45 0.02 0.50 0.00 -0.87 0.00 0.00 66.00 65.20 1wfy h PRO 36 Cb 1.39 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.47 1wfy h PRO 36 CO 0.44 -0.21 1.00 1.79 -0.23 0.00 0.00 178.00 180.78 1wfy h THR 37 N -1.06 0.02 -4.20 1.56 1.35 -1.92 -3.11 112.91 105.55 1wfy h THR 37 Ca -0.03 -0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.29 1wfy h THR 37 Cb 0.26 0.01 0.17 0.00 -1.73 0.00 0.00 68.15 66.86 1wfy h THR 37 CO 0.06 0.00 0.35 -0.54 -0.25 0.00 0.00 175.52 175.14 1wfy s LYS 38 N -5.18 1.76 0.63 4.72 1.02 -1.23 -4.76 119.74 116.70 1wfy s LYS 38 Ca -0.07 1.74 -0.09 0.00 0.02 0.00 0.00 55.97 57.56 1wfy s LYS 38 Cb 0.30 -1.79 0.14 0.00 -0.52 0.00 0.00 37.83 35.96 1wfy s LYS 38 CO 0.84 -2.12 0.86 0.54 -0.92 0.00 0.00 175.35 174.55 1wfy n ARG 39 N -3.19 -0.71 0.21 1.68 1.74 -1.26 -1.86 116.66 113.28 1wfy n ARG 39 Ca 0.13 -1.47 0.11 0.00 -0.77 0.00 0.00 57.85 55.86 1wfy n ARG 39 Cb 0.51 -0.84 0.16 0.00 -1.02 0.00 0.00 32.46 31.26 1wfy n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wfy h LEU 40 N 0.00 0.00 0.12 0.55 3.38 -1.48 -2.45 115.31 115.43 1wfy h LEU 40 Ca -0.28 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.34 1wfy h LEU 40 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1wfy h LEU 40 CO 0.21 0.03 -1.85 0.06 0.09 0.00 0.00 178.44 176.98 1wfy h GLN 41 N 0.00 0.26 0.00 1.13 3.07 -1.86 -2.69 115.11 115.02 1wfy h GLN 41 Ca -0.00 -0.45 -0.07 0.00 0.09 0.00 0.00 58.65 58.22 1wfy h GLN 41 Cb 1.02 0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 1wfy h GLN 41 CO 0.00 1.22 -0.35 0.93 0.09 0.00 0.00 178.83 180.72 1wfy h GLU 42 N -0.05 0.00 0.00 0.06 5.08 -1.86 1.06 114.58 118.88 1wfy h GLU 42 Ca -0.40 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.76 1wfy h GLU 42 Cb 1.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.18 1wfy h GLU 42 CO 0.08 0.35 -1.15 0.00 -1.00 0.00 0.00 179.01 177.28 1wfy h ALA 43 N 1.65 0.58 -0.00 3.43 0.00 -1.57 -3.23 119.26 120.12 1wfy h ALA 43 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1wfy h ALA 43 Cb 0.66 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wfy h ALA 43 CO 0.05 1.13 -0.55 1.28 0.00 0.00 0.00 179.25 181.16 1wfy n LEU 44 N -3.16 0.64 0.06 0.00 7.99 -0.92 -4.11 117.00 117.50 1wfy n LEU 44 Ca -0.06 -0.11 -0.12 0.00 -0.01 0.00 0.00 56.01 55.72 1wfy n LEU 44 Cb 0.90 -0.20 -0.06 0.00 -0.11 0.00 0.00 43.42 43.95 1wfy n LEU 44 CO 0.44 0.15 0.83 1.56 -1.51 0.00 0.00 177.39 178.87 1wfy h GLN 45 N 0.14 -0.11 0.00 3.23 1.08 0.12 1.55 115.11 121.12 1wfy h GLN 45 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1wfy h GLN 45 Cb 0.50 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1wfy h GLN 45 CO 0.00 -0.07 0.00 -0.35 -0.95 0.00 0.00 178.83 177.46 1wfy n PRO 46 N -5.16 0.48 -0.13 1.46 -0.04 -1.26 -0.73 135.00 129.62 1wfy n PRO 46 Ca -0.07 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 1wfy n PRO 46 Cb 0.09 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.18 1.45 0.06 0.52 2.08 -0.38 -3.93 119.36 117.98 1wfy n ILE 47 Ca 0.13 -0.47 -0.10 0.00 0.56 0.00 0.00 62.75 62.88 1wfy n ILE 47 Cb 0.14 -1.61 -0.07 0.00 -0.75 0.00 0.00 39.64 37.35 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 -0.45 -0.20 -1.16 1.39 3.38 0.22 0.18 115.31 118.68 1wfy h LEU 48 Ca -0.62 -0.32 0.24 0.00 0.09 0.00 0.00 57.88 57.28 1wfy h LEU 48 Cb 1.74 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 42.43 1wfy h LEU 48 CO -0.24 0.34 0.63 0.00 0.09 0.00 0.00 178.44 179.26 1wfy h ALA 49 N -0.40 1.95 -1.39 1.53 0.00 -1.03 1.82 119.26 121.74 1wfy h ALA 49 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wfy h ALA 49 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wfy h ALA 49 CO 0.04 -0.38 0.00 1.17 0.00 0.00 0.00 179.25 180.08 1wfy n LYS 50 N -4.75 0.00 -0.58 0.00 4.81 -1.21 -3.59 118.16 112.84 1wfy n LYS 50 Ca 0.25 0.27 0.47 0.00 -0.87 0.00 0.00 58.31 58.44 1wfy n LYS 50 Cb 0.77 -0.90 0.76 0.00 0.02 0.00 0.00 35.03 35.68 1wfy n LYS 50 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wfy h HIS 51 N 0.00 0.00 0.00 5.64 3.86 -0.43 -3.43 115.15 120.80 1wfy h HIS 51 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wfy h HIS 51 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1wfy h HIS 51 CO 0.03 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.23 1wfy n GLY 52 N -1.87 1.84 0.76 2.45 0.00 0.50 -5.05 105.19 103.82 1wfy n GLY 52 Ca 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 -4.23 0.99 4.77 0.49 -4.95 117.00 114.07 1wfy n LEU 53 Ca 0.00 -0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 55.30 1wfy n LEU 53 Cb 0.00 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1wfy n LEU 53 CO 0.00 -0.42 -0.22 -0.44 -1.33 0.00 0.00 177.39 174.98 1wfy s SER 54 N -1.67 0.58 0.26 -1.43 0.01 -1.26 -3.82 113.70 106.37 1wfy s SER 54 Ca 0.09 -1.46 0.23 0.00 1.31 0.00 0.00 55.95 56.12 1wfy s SER 54 Cb -0.01 0.39 0.11 0.00 0.21 0.00 0.00 66.02 66.72 1wfy s SER 54 CO 0.06 -0.87 1.21 -0.07 0.41 0.00 0.00 173.24 173.98 1wfy h LEU 55 N 2.50 0.00 -3.56 2.44 3.38 -1.95 -3.21 115.31 114.91 1wfy h LEU 55 Ca -0.34 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.31 1wfy h LEU 55 Cb 1.25 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1wfy h LEU 55 CO 0.51 0.01 0.12 -0.67 0.09 0.00 0.00 178.44 178.49 1wfy n ASP 56 N -2.76 3.10 0.00 -0.43 -0.08 -1.26 -4.48 116.55 110.64 1wfy n ASP 56 Ca 0.01 -3.75 0.00 0.00 -1.51 0.00 0.00 54.79 49.54 1wfy n ASP 56 Cb 0.54 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.30 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 -1.11 0.00 -2.93 -0.67 1.13 -1.24 -5.08 117.38 107.49 1wfy n GLN 57 Ca 0.42 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.18 1wfy n GLN 57 Cb 1.18 -0.41 -0.03 0.00 0.11 0.00 0.00 30.24 31.09 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 -1.83 4.85 -0.23 5.09 -7.23 -1.21 -3.95 120.40 115.89 1wfy s VAL 58 Ca 0.00 0.46 0.01 0.00 -1.81 0.00 0.00 61.98 60.64 1wfy s VAL 58 Cb 0.00 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.25 1wfy s VAL 58 CO 0.00 -0.52 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.51 1wfy s VAL 59 N -2.36 1.67 -0.11 1.32 1.01 -1.24 -4.92 120.40 115.77 1wfy s VAL 59 Ca 0.49 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 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 0.33 -0.03 0.24 -0.22 0.00 0.00 0.00 175.10 175.41 1wfy s LEU 60 N 1.34 4.35 -0.30 3.92 2.96 -1.26 -1.26 118.68 128.43 1wfy s LEU 60 Ca -0.06 0.57 -0.20 0.00 -0.22 0.00 0.00 54.13 54.22 1wfy s LEU 60 Cb -0.19 -2.27 0.19 0.00 0.50 0.00 0.00 46.19 44.43 1wfy s LEU 60 CO -0.06 0.28 1.30 -1.38 -1.32 0.00 0.00 176.35 175.17 1wfy s HIS 61 N -0.49 -0.12 0.84 5.38 -3.43 -0.73 -0.61 115.29 116.12 1wfy s HIS 61 Ca 0.17 0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 54.57 1wfy s HIS 61 Cb -0.13 0.25 0.10 0.00 -1.43 0.00 0.00 32.58 31.37 1wfy s HIS 61 CO 0.05 -0.06 1.16 1.03 -2.00 0.00 0.00 174.74 174.93 1wfy s ARG 62 N 0.64 1.52 -1.19 -0.38 0.52 -1.26 -1.60 118.95 117.19 1wfy s ARG 62 Ca -0.02 1.58 -0.20 0.00 -0.52 0.00 0.00 55.73 56.58 1wfy s ARG 62 Cb -0.03 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1wfy s ARG 62 CO -0.12 -2.27 1.92 -0.35 0.02 0.00 0.00 175.30 174.50 1wfy n PRO 63 N -3.67 2.32 0.00 3.54 -0.04 -1.26 -2.87 135.00 133.02 1wfy n PRO 63 Ca 0.12 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1wfy n PRO 63 Cb 0.52 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1wfy n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfy n GLY 64 N 5.14 1.31 3.09 0.55 0.00 -1.26 -5.15 105.19 108.87 1wfy n GLY 64 Ca 0.48 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.31 0.00 1.61 -0.58 -1.14 -4.98 120.64 115.25 1wfy n GLU 65 Ca 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1wfy n GLU 65 Cb 0.00 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.30 0.00 -2.47 3.49 0.00 -1.26 -4.97 118.16 114.24 1wfy n LYS 66 Ca -0.01 0.08 -0.28 0.00 0.00 0.00 0.00 58.31 58.10 1wfy n LYS 66 Cb 0.66 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1wfy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1wfy s GLN 67 N -0.58 3.56 0.39 1.64 -0.21 -1.26 -5.05 119.66 118.14 1wfy s GLN 67 Ca 0.00 0.32 -0.24 0.00 0.02 0.00 0.00 55.36 55.46 1wfy s GLN 67 Cb 0.00 -2.31 -0.09 0.00 1.00 0.00 0.00 33.01 31.61 1wfy s GLN 67 CO 0.00 -0.28 1.06 -1.25 -2.12 0.00 0.00 175.29 172.69 1wfy s PRO 68 N -4.83 4.20 1.11 2.91 0.04 -1.26 -4.95 135.00 132.22 1wfy s PRO 68 Ca 0.49 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1wfy s PRO 68 Cb -0.10 -2.60 0.12 0.00 0.04 0.00 0.00 34.50 31.95 1wfy s PRO 68 CO 0.47 -0.12 0.04 -1.33 0.04 0.00 0.00 177.00 176.10 1wfy n MET 69 N 0.04 -1.86 -0.12 4.56 2.81 0.22 -4.94 117.12 117.83 1wfy n MET 69 Ca 0.04 -0.53 0.08 0.00 -1.81 0.00 0.00 57.70 55.48 1wfy n MET 69 Cb 0.49 -1.62 0.11 0.00 -0.71 0.00 0.00 33.22 31.48 1wfy n MET 69 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wfy n ASP 70 N -1.54 1.98 -2.50 7.83 9.92 -1.26 -4.86 116.55 126.11 1wfy n ASP 70 Ca 0.02 -2.81 -0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1wfy n ASP 70 Cb 0.57 -0.35 -0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1wfy n ASP 70 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wfy n LEU 71 N -1.14 -0.00 -0.01 0.64 4.77 -1.26 -4.65 117.00 115.34 1wfy n LEU 71 Ca 0.12 0.50 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 1wfy n LEU 71 Cb 0.61 -1.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.55 1wfy n LEU 71 CO 0.01 0.00 -0.74 -0.62 -1.33 0.00 0.00 177.39 174.70 1wfy n GLU 72 N -2.50 0.61 -3.05 3.23 1.02 -1.26 -3.58 120.64 115.11 1wfy n GLU 72 Ca 0.00 -0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.68 1wfy n GLU 72 Cb 0.50 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 1wfy n GLU 72 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wfy s ASN 73 N -4.17 6.63 0.20 1.62 0.01 -1.26 -4.84 114.94 113.13 1wfy s ASN 73 Ca -0.07 1.15 -0.30 0.00 -0.71 0.00 0.00 52.86 52.93 1wfy s ASN 73 Cb 0.11 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 1wfy s ASN 73 CO 0.75 -0.28 1.11 -2.16 -1.51 0.00 0.00 177.10 175.01 1wfy s PRO 74 N -3.38 4.59 0.61 -0.60 0.04 -1.26 -1.95 135.00 133.05 1wfy s PRO 74 Ca 0.52 1.75 0.26 0.00 0.04 0.00 0.00 61.00 63.57 1wfy s PRO 74 Cb -0.10 -3.25 1.24 0.00 0.04 0.00 0.00 34.50 32.43 1wfy s PRO 74 CO 0.25 0.09 1.67 -0.39 0.04 0.00 0.00 177.00 178.66 1wfy h VAL 75 N 3.58 0.18 -0.95 -0.36 -1.51 -1.29 0.58 116.25 116.47 1wfy h VAL 75 Ca -0.45 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.29 1wfy h VAL 75 Cb 1.21 0.41 -0.05 0.00 -2.13 0.00 0.00 31.29 30.74 1wfy h VAL 75 CO 0.71 0.00 0.67 0.77 -1.23 0.00 0.00 177.57 178.49 1wfy h SER 76 N 0.00 0.09 0.38 4.19 4.64 -1.80 0.56 113.55 121.62 1wfy h SER 76 Ca 0.24 0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.29 1wfy h SER 76 Cb 1.63 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.73 1wfy h SER 76 CO -0.00 0.03 -1.22 -1.28 -0.87 0.00 0.00 176.83 173.48 1wfy h SER 77 N 0.09 0.64 -1.54 4.97 0.87 -0.18 -3.28 113.55 115.12 1wfy h SER 77 Ca 0.47 -0.62 -0.66 0.00 -1.23 0.00 0.00 61.79 59.75 1wfy h SER 77 Cb 1.70 -0.20 -0.24 0.00 -0.44 0.00 0.00 62.40 63.22 1wfy h SER 77 CO -0.05 1.45 0.81 1.33 -0.53 0.00 0.00 176.83 179.84 1wfy n VAL 78 N -3.67 3.48 -3.19 2.23 0.24 0.19 -4.59 118.33 113.02 1wfy n VAL 78 Ca -0.11 -3.63 -0.23 0.00 -2.04 0.00 0.00 64.34 58.32 1wfy n VAL 78 Cb 0.99 -1.35 -0.05 0.00 -1.47 0.00 0.00 33.84 31.96 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 -0.10 3.07 0.00 2.33 0.00 -0.79 -4.58 120.51 120.44 1wfy n ALA 79 Ca 0.52 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1wfy n ALA 79 Cb 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1wfy n ALA 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wfy n SER 80 N 0.62 0.00 -4.49 0.00 7.64 -1.26 -4.91 113.62 111.22 1wfy n SER 80 Ca 0.26 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 1wfy n SER 80 Cb 0.52 0.28 0.03 0.00 -1.01 0.00 0.00 64.21 64.03 1wfy n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfy n GLN 81 N -2.19 0.71 -3.67 1.43 1.13 -1.26 -5.00 117.38 108.53 1wfy n GLN 81 Ca 0.00 -2.79 -0.37 0.00 -1.94 0.00 0.00 57.00 51.90 1wfy n GLN 81 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 1wfy n GLN 81 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1wfy s THR 82 N -2.19 5.25 0.75 5.09 2.01 -1.26 -4.14 115.64 121.14 1wfy s THR 82 Ca 0.42 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 1wfy s THR 82 Cb -0.03 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.09 1wfy s THR 82 CO 0.27 0.33 1.09 -0.76 -0.69 0.00 0.00 174.62 174.85 1wfy s LEU 83 N 1.24 2.67 -0.06 4.42 1.43 -0.38 -4.26 118.68 123.75 1wfy s LEU 83 Ca 0.07 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1wfy s LEU 83 Cb -0.14 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1wfy s LEU 83 CO 0.06 -1.74 -0.16 -0.69 0.23 0.00 0.00 176.35 174.06 1wfy s VAL 84 N -3.40 1.37 -0.17 -1.59 1.01 -0.63 0.10 120.40 117.09 1wfy s VAL 84 Ca 0.61 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wfy s VAL 84 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1wfy s VAL 84 CO 0.47 0.40 -0.05 -0.22 0.00 0.00 0.00 175.10 175.70 1wfy s LEU 85 N 0.33 3.05 -0.86 3.92 2.96 -0.52 -1.78 118.68 125.78 1wfy s LEU 85 Ca -0.10 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1wfy s LEU 85 Cb -0.14 -1.74 0.24 0.00 0.50 0.00 0.00 46.19 45.05 1wfy s LEU 85 CO 0.04 0.10 0.87 -0.67 -1.32 0.00 0.00 176.35 175.36 1wfy n ASP 86 N 3.98 4.37 -4.41 3.68 -0.08 -0.39 -3.23 116.55 120.47 1wfy n ASP 86 Ca -0.18 -3.25 -0.34 0.00 -1.51 0.00 0.00 54.79 49.51 1wfy n ASP 86 Cb 0.52 -0.98 0.09 0.00 2.34 0.00 0.00 41.12 43.09 1wfy n ASP 86 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1wfy n THR 87 N 1.80 0.74 -1.56 5.18 -2.24 -1.26 -3.63 114.28 113.30 1wfy n THR 87 Ca 0.24 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 1wfy n THR 87 Cb 0.37 -0.63 0.08 0.00 -2.10 0.00 0.00 70.33 68.05 1wfy n THR 87 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfy s PRO 88 N -3.16 2.29 -0.94 -0.78 0.04 -1.25 -4.89 135.00 126.31 1wfy s PRO 88 Ca 0.59 0.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 1wfy s PRO 88 Cb -0.27 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1wfy s PRO 88 CO 0.64 -1.49 2.57 -0.35 0.04 0.00 0.00 177.00 178.41 1wfy n PRO 89 N -3.36 2.48 0.00 0.56 -0.04 -1.26 -4.58 135.00 128.81 1wfy n PRO 89 Ca 0.07 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1wfy n PRO 89 Cb 0.56 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1wfy n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wfy n ASP 90 N 3.62 0.00 -3.61 3.54 9.92 -1.26 -5.19 116.55 123.58 1wfy n ASP 90 Ca 0.53 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.72 1wfy n ASP 90 Cb 0.29 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.73 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfy s ALA 91 N 0.00 -2.02 0.56 2.24 0.00 -1.26 -5.13 121.76 116.15 1wfy s ALA 91 Ca 0.00 1.72 -0.15 0.00 0.00 0.00 0.00 51.96 53.53 1wfy s ALA 91 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.02 1wfy s ALA 91 CO 0.00 -0.29 1.01 0.21 0.00 0.00 0.00 175.76 176.69 1wfy s LYS 92 N -1.12 3.77 0.21 0.00 2.20 -1.26 -5.08 119.74 118.46 1wfy s LYS 92 Ca 0.03 0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 56.52 1wfy s LYS 92 Cb -0.01 -2.11 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 1wfy s LYS 92 CO -0.03 -0.42 0.20 0.00 -0.36 0.00 0.00 175.35 174.74 1wfy s MET 93 N -4.44 1.28 0.17 4.03 0.23 -1.26 -5.08 119.30 114.22 1wfy s MET 93 Ca 0.58 -1.57 0.00 0.00 -1.03 0.00 0.00 55.69 53.67 1wfy s MET 93 Cb -0.11 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 1wfy s MET 93 CO 0.39 -0.44 0.00 0.45 -2.03 0.00 0.00 175.02 173.39 1wfy n SER 94 N -0.33 -0.02 -3.65 -1.18 2.88 -1.26 -5.10 113.62 104.96 1wfy n SER 94 Ca 0.01 0.28 -0.04 0.00 -1.33 0.00 0.00 58.87 57.80 1wfy n SER 94 Cb 0.65 0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 64.26 1wfy n SER 94 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1wfy s GLU 95 N -2.00 0.51 -0.04 -1.46 8.01 -1.26 -5.16 118.70 117.31 1wfy s GLU 95 Ca 0.00 1.31 -0.31 0.00 0.01 0.00 0.00 54.97 55.98 1wfy s GLU 95 Cb 0.00 0.66 0.11 0.00 -4.31 0.00 0.00 34.13 30.59 1wfy s GLU 95 CO 0.00 -0.21 1.15 0.00 0.01 0.00 0.00 175.26 176.21 1wfy s ALA 96 N 2.69 -2.03 0.07 5.21 0.00 -1.26 -5.10 121.76 121.34 1wfy s ALA 96 Ca -0.05 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1wfy s ALA 96 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1wfy s ALA 96 CO -0.17 -0.86 0.00 -2.13 0.00 0.00 0.00 175.76 172.60 1wfy n ARG 97 N -0.33 0.00 -1.85 0.00 0.00 -1.26 -5.14 116.66 108.08 1wfy n ARG 97 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1wfy n ARG 97 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.06 1wfy n ARG 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wfy n SER 98 N -2.32 -5.78 -4.88 6.15 2.88 -1.26 -4.99 113.62 103.41 1wfy n SER 98 Ca 0.00 1.08 -0.31 0.00 -1.33 0.00 0.00 58.87 58.30 1wfy n SER 98 Cb 0.00 -3.53 -0.05 0.00 -0.75 0.00 0.00 64.21 59.88 1wfy n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfy s SER 99 N -0.36 6.58 0.00 -3.46 0.15 -1.26 -4.98 113.70 110.37 1wfy s SER 99 Ca -0.02 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wfy s SER 99 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1wfy s SER 99 CO 0.07 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1wfy n GLY 100 N -0.25 2.03 3.81 9.45 0.00 -1.26 -5.15 105.19 113.82 1wfy n GLY 100 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.24 2.21 0.25 1.61 0.04 -1.26 -5.09 135.00 132.52 1wfy s PRO 101 Ca 0.00 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.74 1wfy s PRO 101 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1wfy s PRO 101 CO 0.00 -1.54 0.08 0.45 0.04 0.00 0.00 177.00 176.03 1wfy s SER 102 N -3.89 1.22 0.50 6.66 0.15 -1.26 -5.09 113.70 111.99 1wfy s SER 102 Ca 0.60 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1wfy s SER 102 Cb -0.14 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wfy s SER 102 CO 0.54 -0.71 0.00 -1.20 1.20 0.00 0.00 173.24 173.08 1wfy n SER 103 N -0.44 -7.73 0.00 5.45 7.64 -1.26 -5.36 113.62 111.92 1wfy n SER 103 Ca -0.01 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1wfy n SER 103 Cb 0.66 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64