#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 -0.02 -0.29 1.61 0.15 -1.26 -5.17 113.70 108.71 1wfy s SER 2 Ca 0.00 -1.00 -0.26 0.00 0.70 0.00 0.00 55.95 55.39 1wfy s SER 2 Cb 0.00 0.52 0.19 0.00 -1.71 0.00 0.00 66.02 65.02 1wfy s SER 2 CO 0.00 -1.03 1.41 -0.55 1.20 0.00 0.00 173.24 174.27 1wfy s SER 3 N -3.03 -0.06 0.00 5.45 0.15 -1.26 -5.19 113.70 109.76 1wfy s SER 3 Ca 0.24 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wfy s SER 3 Cb 0.02 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wfy s SER 3 CO 0.08 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wfy n GLY 4 N 1.36 3.30 3.64 9.45 0.00 -1.26 -5.18 105.19 116.50 1wfy n GLY 4 Ca -0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -0.07 0.21 1.61 0.15 -1.26 -5.19 113.70 109.15 1wfy s SER 5 Ca 0.00 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 1wfy s SER 5 Cb 0.00 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1wfy s SER 5 CO 0.00 -0.05 0.17 -0.55 1.20 0.00 0.00 173.24 174.01 1wfy s SER 6 N -0.55 0.19 0.00 5.45 0.15 -1.26 -5.16 113.70 112.52 1wfy s SER 6 Ca 0.08 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1wfy s SER 6 Cb -0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1wfy s SER 6 CO -0.11 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.06 1wfy n GLY 7 N -0.29 3.72 3.55 9.45 0.00 -1.26 -5.16 105.19 115.20 1wfy n GLY 7 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1wfy n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfy s ASP 8 N 0.00 -0.34 0.30 1.61 1.01 -1.26 -5.18 116.67 112.82 1wfy s ASP 8 Ca 0.00 0.51 -0.18 0.00 0.71 0.00 0.00 52.55 53.60 1wfy s ASP 8 Cb 0.00 1.22 0.02 0.00 1.01 0.00 0.00 42.92 45.18 1wfy s ASP 8 CO 0.00 -0.08 0.69 -1.10 0.21 0.00 0.00 175.17 174.89 1wfy s GLN 9 N 1.55 1.87 0.00 8.23 -0.21 -1.26 -5.13 119.66 124.71 1wfy s GLN 9 Ca -0.06 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1wfy s GLN 9 Cb -0.03 0.59 0.00 0.00 1.00 0.00 0.00 33.01 34.56 1wfy s GLN 9 CO -0.14 -0.85 0.00 -0.85 -2.12 0.00 0.00 175.29 171.33 1wfy n GLU 10 N -0.47 0.00 -4.44 2.91 0.28 -1.26 -5.15 120.64 112.51 1wfy n GLU 10 Ca -0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.70 1wfy n GLU 10 Cb 0.60 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.37 1wfy n GLU 10 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1wfy s VAL 11 N 0.00 2.42 0.04 3.84 -7.23 -1.26 -5.07 120.40 113.14 1wfy s VAL 11 Ca 0.00 -2.08 -0.38 0.00 -1.81 0.00 0.00 61.98 57.71 1wfy s VAL 11 Cb 0.00 -2.74 -0.19 0.00 0.56 0.00 0.00 36.38 34.02 1wfy s VAL 11 CO 0.00 -0.19 1.13 -2.11 -0.31 0.00 0.00 175.10 173.62 1wfy n ARG 12 N -0.88 0.41 -3.61 4.82 -4.01 -1.26 -4.92 116.66 107.21 1wfy n ARG 12 Ca -0.05 0.15 -0.02 0.00 -1.04 0.00 0.00 57.85 56.90 1wfy n ARG 12 Cb 0.63 -1.67 -0.01 0.00 -3.04 0.00 0.00 32.46 28.37 1wfy n ARG 12 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1wfy s LEU 13 N 0.31 -0.11 -0.40 2.89 2.96 -1.26 -5.13 118.68 117.94 1wfy s LEU 13 Ca 0.87 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 1wfy s LEU 13 Cb -1.14 1.47 0.18 0.00 0.50 0.00 0.00 46.19 47.20 1wfy s LEU 13 CO 0.54 -0.33 0.60 -0.70 -1.32 0.00 0.00 176.35 175.13 1wfy s GLU 14 N -2.52 0.78 -0.23 1.98 2.12 -1.26 -5.06 118.70 114.52 1wfy s GLU 14 Ca 0.12 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.08 1wfy s GLU 14 Cb 0.02 0.01 0.10 0.00 0.26 0.00 0.00 34.13 34.52 1wfy s GLU 14 CO -0.04 -1.18 0.49 -0.80 -0.54 0.00 0.00 175.26 173.19 1wfy s ASN 15 N 1.86 -0.54 -0.12 -1.70 0.01 -1.26 -5.12 114.94 108.06 1wfy s ASN 15 Ca 0.16 1.17 -0.40 0.00 -0.71 0.00 0.00 52.86 53.07 1wfy s ASN 15 Cb -0.06 1.58 -0.19 0.00 0.41 0.00 0.00 41.25 42.99 1wfy s ASN 15 CO -0.08 -0.23 1.16 0.54 -1.51 0.00 0.00 177.10 176.99 1wfy n ARG 16 N 5.30 0.00 -4.11 -0.60 3.00 -1.26 -4.61 116.66 114.38 1wfy n ARG 16 Ca -0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 57.85 57.50 1wfy n ARG 16 Cb 0.50 -1.45 -0.05 0.00 0.00 0.00 0.00 32.46 31.46 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 0.72 4.46 0.11 0.55 -5.25 -0.83 -4.92 121.20 116.05 1wfy s ILE 17 Ca 0.91 -1.34 0.03 0.00 -0.99 0.00 0.00 60.65 59.26 1wfy s ILE 17 Cb -1.28 -3.38 -0.04 0.00 2.95 0.00 0.00 42.46 40.70 1wfy s ILE 17 CO 0.61 -0.30 -0.08 -0.89 -1.79 0.00 0.00 174.94 172.49 1wfy s THR 18 N -2.05 0.86 0.17 8.37 2.01 -1.26 -1.70 115.64 122.04 1wfy s THR 18 Ca 0.32 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.21 1wfy s THR 18 Cb -0.08 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1wfy s THR 18 CO 0.25 -0.81 0.47 0.72 -0.69 0.00 0.00 174.62 174.56 1wfy s PHE 19 N -3.44 -0.12 0.24 4.92 -0.12 0.05 -4.42 117.98 115.09 1wfy s PHE 19 Ca 0.13 -0.21 0.06 0.00 -0.05 0.00 0.00 56.93 56.86 1wfy s PHE 19 Cb 0.04 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1wfy s PHE 19 CO -0.03 -0.84 0.30 -0.65 -0.05 0.00 0.00 175.22 173.95 1wfy s GLN 20 N -3.86 3.24 0.04 1.99 -0.21 -1.26 0.60 119.66 120.21 1wfy s GLN 20 Ca 0.08 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.59 1wfy s GLN 20 Cb 0.00 -2.76 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 1wfy s GLN 20 CO -0.06 0.42 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.30 1wfy s LEU 21 N -3.93 2.27 -0.23 2.90 0.20 0.74 -2.24 118.68 118.39 1wfy s LEU 21 Ca 0.34 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.53 1wfy s LEU 21 Cb -0.09 -0.07 -0.02 0.00 -0.43 0.00 0.00 46.19 45.58 1wfy s LEU 21 CO 0.27 -0.26 0.03 -0.70 -0.29 0.00 0.00 176.35 175.41 1wfy s GLU 22 N -1.72 3.59 -1.22 1.98 2.12 0.20 -0.95 118.70 122.69 1wfy s GLU 22 Ca -0.10 -0.52 -0.10 0.00 0.36 0.00 0.00 54.97 54.61 1wfy s GLU 22 Cb -0.09 -3.21 0.19 0.00 0.26 0.00 0.00 34.13 31.29 1wfy s GLU 22 CO -0.01 -0.15 1.63 1.28 -0.54 0.00 0.00 175.26 177.48 1wfy n LEU 23 N 4.76 6.08 -4.61 2.70 4.77 -1.02 0.44 117.00 130.12 1wfy n LEU 23 Ca -0.17 -4.68 -0.50 0.00 -0.03 0.00 0.00 56.01 50.64 1wfy n LEU 23 Cb 0.51 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1wfy n LEU 23 CO 0.31 1.20 0.94 0.52 -1.33 0.00 0.00 177.39 179.02 1wfy n VAL 24 N 3.47 0.21 0.00 4.08 0.31 -1.06 -0.20 118.33 125.14 1wfy n VAL 24 Ca 0.36 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1wfy n VAL 24 Cb 0.38 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.60 2.93 0.08 2.92 0.00 -1.26 -4.66 105.19 107.80 1wfy n GLY 25 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1wfy n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wfy n LEU 26 N 0.00 0.70 -2.65 0.99 0.00 0.72 -5.03 117.00 111.74 1wfy n LEU 26 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 56.01 56.30 1wfy n LEU 26 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.63 1wfy n LEU 26 CO 0.00 0.36 0.14 -0.62 0.00 0.00 0.00 177.39 177.26 1wfy n GLU 27 N -2.95 -1.56 -3.65 1.96 -0.58 -0.58 -5.06 120.64 108.22 1wfy n GLU 27 Ca -0.18 1.60 -0.01 0.00 -0.42 0.00 0.00 57.16 58.14 1wfy n GLU 27 Cb 1.02 -4.87 -0.07 0.00 -0.57 0.00 0.00 31.44 26.95 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 -2.58 0.11 0.01 3.49 1.70 -1.26 -5.04 118.95 115.38 1wfy s ARG 28 Ca 0.12 0.15 -0.16 0.00 -0.47 0.00 0.00 55.73 55.37 1wfy s ARG 28 Cb -0.03 0.04 -0.06 0.00 -0.57 0.00 0.00 34.95 34.33 1wfy s ARG 28 CO 0.61 -0.02 0.45 0.08 -1.08 0.00 0.00 175.30 175.34 1wfy s VAL 29 N 0.48 4.97 0.33 4.99 1.01 -1.26 -2.44 120.40 128.47 1wfy s VAL 29 Ca 0.01 0.94 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1wfy s VAL 29 Cb -0.04 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1wfy s VAL 29 CO -0.13 0.56 -0.00 0.68 0.00 0.00 0.00 175.10 176.21 1wfy s VAL 30 N -0.99 1.63 0.01 2.92 -7.23 -0.13 -4.94 120.40 111.66 1wfy s VAL 30 Ca 0.25 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1wfy s VAL 30 Cb -0.17 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1wfy s VAL 30 CO 0.15 -0.11 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.05 1wfy s ARG 31 N -3.77 1.32 -0.06 4.82 3.52 -1.26 -0.18 118.95 123.34 1wfy s ARG 31 Ca 0.34 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1wfy s ARG 31 Cb 0.07 -1.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.16 1wfy s ARG 31 CO 0.15 0.35 -0.13 0.42 -0.81 0.00 0.00 175.30 175.28 1wfy s ILE 32 N -0.54 1.15 -0.05 4.11 1.01 0.20 -4.97 121.20 122.12 1wfy s ILE 32 Ca 0.06 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1wfy s ILE 32 Cb -0.07 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1wfy s ILE 32 CO 0.00 0.35 -0.24 -0.94 0.00 0.00 0.00 174.94 174.11 1wfy s SER 33 N 0.51 3.17 -0.27 3.58 1.04 -1.26 -0.77 113.70 119.70 1wfy s SER 33 Ca -0.12 -0.47 -0.37 0.00 0.48 0.00 0.00 55.95 55.48 1wfy s SER 33 Cb -0.14 -0.71 0.16 0.00 0.10 0.00 0.00 66.02 65.43 1wfy s SER 33 CO 0.03 0.27 1.35 0.00 0.98 0.00 0.00 173.24 175.88 1wfy s ALA 34 N -0.34 -2.17 0.68 5.32 0.00 -0.69 -5.02 121.76 119.54 1wfy s ALA 34 Ca 0.02 1.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.67 1wfy s ALA 34 Cb -0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1wfy s ALA 34 CO 0.02 -0.52 0.82 0.36 0.00 0.00 0.00 175.76 176.45 1wfy n LYS 35 N 0.04 0.54 0.08 0.00 0.00 -1.26 -1.96 118.16 115.60 1wfy n LYS 35 Ca 0.04 0.23 -0.07 0.00 -0.00 0.00 0.00 58.31 58.52 1wfy n LYS 35 Cb 0.57 -2.07 -0.04 0.00 -0.00 0.00 0.00 35.03 33.49 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 -0.08 -0.28 -0.89 -1.58 0.13 -1.87 -3.33 132.00 124.10 1wfy h PRO 36 Ca -0.47 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.82 1wfy h PRO 36 Cb 1.35 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.40 1wfy h PRO 36 CO 0.47 -0.07 -0.34 0.25 -0.23 0.00 0.00 178.00 178.08 1wfy n THR 37 N -4.96 -0.46 -0.94 1.56 -2.24 -1.26 -2.91 114.28 103.06 1wfy n THR 37 Ca -0.05 2.08 -0.36 0.00 -2.27 0.00 0.00 64.05 63.45 1wfy n THR 37 Cb 0.17 -2.76 0.06 0.00 -2.10 0.00 0.00 70.33 65.70 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 -5.32 -0.18 -1.66 -0.78 5.02 -1.25 -4.65 118.16 109.33 1wfy n LYS 38 Ca 0.10 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.18 1wfy n LYS 38 Cb 0.36 -1.18 0.09 0.00 -0.02 0.00 0.00 35.03 34.28 1wfy n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfy n ARG 39 N 1.50 -0.11 0.08 1.97 1.74 -1.26 -2.55 116.66 118.03 1wfy n ARG 39 Ca -0.01 -1.59 -0.02 0.00 -0.77 0.00 0.00 57.85 55.46 1wfy n ARG 39 Cb 0.62 -0.54 -0.06 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.13 0.55 3.38 0.15 -2.31 115.31 117.21 1wfy h LEU 40 Ca -0.22 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.43 1wfy h LEU 40 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wfy h LEU 40 CO 0.21 0.71 -1.57 0.06 0.09 0.00 0.00 178.44 177.94 1wfy h GLN 41 N 0.00 0.27 0.00 1.13 3.07 -1.82 -2.28 115.11 115.48 1wfy h GLN 41 Ca -0.07 -0.46 -0.11 0.00 0.09 0.00 0.00 58.65 58.09 1wfy h GLN 41 Cb 1.60 0.17 -0.02 0.00 0.08 0.00 0.00 27.48 29.32 1wfy h GLN 41 CO 0.08 1.14 -0.53 0.93 0.09 0.00 0.00 178.83 180.54 1wfy h GLU 42 N 0.07 0.00 0.00 0.06 4.39 -1.87 0.25 114.58 117.48 1wfy h GLU 42 Ca -0.26 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 1wfy h GLU 42 Cb 2.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 1wfy h GLU 42 CO 0.16 0.53 -0.90 0.00 -1.16 0.00 0.00 179.01 177.64 1wfy h ALA 43 N 1.47 0.66 0.00 3.43 0.00 -1.50 -3.24 119.26 120.09 1wfy h ALA 43 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wfy h ALA 43 Cb 1.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wfy h ALA 43 CO 0.07 0.66 -0.84 1.28 0.00 0.00 0.00 179.25 180.42 1wfy n LEU 44 N -3.03 0.63 -0.01 0.00 7.99 -0.86 -4.17 117.00 117.56 1wfy n LEU 44 Ca -0.03 -0.04 -0.09 0.00 -0.01 0.00 0.00 56.01 55.84 1wfy n LEU 44 Cb 0.75 -0.14 -0.04 0.00 -0.11 0.00 0.00 43.42 43.89 1wfy n LEU 44 CO 0.41 0.07 0.82 1.56 -1.51 0.00 0.00 177.39 178.75 1wfy h GLN 45 N 0.00 -0.04 0.00 3.23 1.08 -0.51 1.56 115.11 120.42 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 0.65 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1wfy h GLN 45 CO 0.00 -0.03 0.00 -0.35 -0.95 0.00 0.00 178.83 177.50 1wfy n PRO 46 N -5.20 0.51 -0.13 1.46 -0.04 -1.26 -1.16 135.00 129.18 1wfy n PRO 46 Ca -0.03 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1wfy n PRO 46 Cb 0.13 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.46 0.03 0.52 2.08 0.11 -3.67 119.36 118.73 1wfy n ILE 47 Ca 0.14 -0.46 -0.06 0.00 0.56 0.00 0.00 62.75 62.93 1wfy n ILE 47 Cb 0.14 -1.64 0.14 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 -0.50 0.46 -0.70 1.39 3.38 0.22 0.68 115.31 120.24 1wfy h LEU 48 Ca -0.62 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.01 1wfy h LEU 48 Cb 1.73 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1wfy h LEU 48 CO -0.26 0.84 -0.29 0.00 0.09 0.00 0.00 178.44 178.83 1wfy h ALA 49 N 1.18 0.88 -0.01 1.53 0.00 -1.32 1.63 119.26 123.15 1wfy h ALA 49 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wfy h ALA 49 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wfy h ALA 49 CO 0.08 0.63 -0.03 1.17 0.00 0.00 0.00 179.25 181.09 1wfy n LYS 50 N -4.09 1.30 0.00 0.00 4.81 -1.05 -3.18 118.16 115.96 1wfy n LYS 50 Ca -0.01 -0.59 0.00 0.00 -0.87 0.00 0.00 58.31 56.85 1wfy n LYS 50 Cb 0.46 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.02 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 -0.33 0.00 -1.54 5.64 8.25 0.21 -4.97 115.22 122.47 1wfy n HIS 51 Ca 0.19 -0.26 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 1wfy n HIS 51 Cb 0.28 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.26 1.79 0.00 -1.41 0.00 0.23 -4.95 105.19 100.59 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 -2.16 0.00 -3.66 0.99 4.77 0.49 -4.98 117.00 112.46 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 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1wfy n LEU 53 CO 0.29 -0.29 0.30 -0.44 -1.33 0.00 0.00 177.39 175.92 1wfy s SER 54 N -1.00 -0.33 0.39 -1.43 0.01 -1.26 -4.48 113.70 105.60 1wfy s SER 54 Ca 0.00 -0.35 0.21 0.00 1.31 0.00 0.00 55.95 57.12 1wfy s SER 54 Cb 0.00 0.58 0.27 0.00 0.21 0.00 0.00 66.02 67.07 1wfy s SER 54 CO 0.00 -1.02 1.54 -0.07 0.41 0.00 0.00 173.24 174.10 1wfy h LEU 55 N 2.16 0.00 -3.73 2.44 3.38 -1.96 -2.96 115.31 114.65 1wfy h LEU 55 Ca -0.30 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.25 1wfy h LEU 55 Cb 1.27 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.78 1wfy h LEU 55 CO 0.38 0.10 0.29 -0.67 0.09 0.00 0.00 178.44 178.63 1wfy n ASP 56 N -3.10 3.93 0.00 -0.43 -0.08 -1.26 -4.42 116.55 111.18 1wfy n ASP 56 Ca 0.03 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.59 1wfy n ASP 56 Cb 0.57 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 -1.07 0.00 -3.11 -0.67 1.13 -1.19 -5.10 117.38 107.37 1wfy n GLN 57 Ca 0.49 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 55.31 1wfy n GLN 57 Cb 1.22 -0.33 -0.00 0.00 0.11 0.00 0.00 30.24 31.24 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 -1.73 4.73 -0.17 5.09 -7.23 -1.12 -4.06 120.40 115.91 1wfy s VAL 58 Ca 0.00 -0.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1wfy s VAL 58 Cb 0.00 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.24 1wfy s VAL 58 CO 0.00 -0.55 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.54 1wfy s VAL 59 N -2.48 0.79 0.07 1.32 1.01 -1.24 -4.89 120.40 114.98 1wfy s VAL 59 Ca 0.44 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1wfy s VAL 59 Cb -0.10 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1wfy s VAL 59 CO 0.38 -0.00 0.59 -0.22 0.00 0.00 0.00 175.10 175.85 1wfy s LEU 60 N 1.76 4.51 -0.29 3.92 1.98 -1.26 -2.46 118.68 126.84 1wfy s LEU 60 Ca 0.00 1.28 -0.16 0.00 -2.89 0.00 0.00 54.13 52.36 1wfy s LEU 60 Cb -0.16 -2.94 0.17 0.00 0.66 0.00 0.00 46.19 43.92 1wfy s LEU 60 CO -0.07 0.24 1.08 -1.38 -1.89 0.00 0.00 176.35 174.33 1wfy s HIS 61 N -0.93 -0.39 1.01 5.38 -3.43 -1.02 -0.76 115.29 115.15 1wfy s HIS 61 Ca 0.30 0.77 -0.12 0.00 -0.80 0.00 0.00 55.06 55.21 1wfy s HIS 61 Cb -0.20 0.23 0.20 0.00 -1.43 0.00 0.00 32.58 31.39 1wfy s HIS 61 CO 0.19 -0.19 1.08 1.03 -2.00 0.00 0.00 174.74 174.85 1wfy s ARG 62 N 1.34 0.27 -0.62 -0.38 0.52 -1.26 -1.46 118.95 117.37 1wfy s ARG 62 Ca -0.08 1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 55.93 1wfy s ARG 62 Cb -0.03 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.77 1wfy s ARG 62 CO -0.13 -2.99 1.53 -1.25 0.02 0.00 0.00 175.30 172.48 1wfy s PRO 63 N -4.64 3.06 0.00 3.54 0.04 -1.26 -3.27 135.00 132.47 1wfy s PRO 63 Ca 0.67 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1wfy s PRO 63 Cb -0.22 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1wfy s PRO 63 CO 0.60 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.81 1wfy n GLY 64 N 5.44 3.54 3.21 0.56 0.00 -1.26 -5.09 105.19 111.58 1wfy n GLY 64 Ca 0.13 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 0.00 1.61 -0.58 -1.20 -4.94 120.64 115.53 1wfy n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wfy n GLU 65 Cb 0.00 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 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 1.35 0.00 -1.68 3.49 0.00 -1.26 -4.90 118.16 115.16 1wfy n LYS 66 Ca 0.10 0.37 -0.31 0.00 0.00 0.00 0.00 58.31 58.48 1wfy n LYS 66 Cb 0.41 -0.86 0.05 0.00 0.00 0.00 0.00 35.03 34.62 1wfy n LYS 66 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1wfy s GLN 67 N -0.83 2.88 0.08 1.64 0.00 -1.26 -5.00 119.66 117.15 1wfy s GLN 67 Ca 0.00 0.77 -0.30 0.00 -0.00 0.00 0.00 55.36 55.82 1wfy s GLN 67 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 33.01 30.96 1wfy s GLN 67 CO 0.00 -1.09 1.16 -1.25 0.00 0.00 0.00 175.29 174.10 1wfy s PRO 68 N -5.14 4.47 0.94 9.60 0.04 -1.26 -4.87 135.00 138.78 1wfy s PRO 68 Ca 0.58 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1wfy s PRO 68 Cb -0.13 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 31.12 1wfy s PRO 68 CO 0.54 -0.18 0.53 -1.33 0.04 0.00 0.00 177.00 176.60 1wfy n MET 69 N 3.64 -0.31 -3.62 4.56 2.81 0.06 -4.96 117.12 119.30 1wfy n MET 69 Ca 0.07 -0.04 -0.37 0.00 -1.81 0.00 0.00 57.70 55.55 1wfy n MET 69 Cb 0.47 -1.94 -0.10 0.00 -0.71 0.00 0.00 33.22 30.93 1wfy n MET 69 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wfy s ASP 70 N -2.11 6.07 0.52 7.83 1.11 -1.26 -4.72 116.67 124.10 1wfy s ASP 70 Ca 0.59 0.05 0.27 0.00 0.18 0.00 0.00 52.55 53.64 1wfy s ASP 70 Cb -0.22 -2.11 1.43 0.00 1.07 0.00 0.00 42.92 43.08 1wfy s ASP 70 CO 0.66 0.00 2.06 -0.07 1.18 0.00 0.00 175.17 179.00 1wfy h LEU 71 N 7.99 0.00 -1.93 1.23 3.38 -1.93 -2.15 115.31 121.91 1wfy h LEU 71 Ca -0.36 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.83 1wfy h LEU 71 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1wfy h LEU 71 CO 0.60 0.12 0.63 -0.33 0.09 0.00 0.00 178.44 179.55 1wfy h GLU 72 N 0.00 0.00 -7.03 1.13 4.39 -1.95 0.50 114.58 111.62 1wfy h GLU 72 Ca -0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1wfy h GLU 72 Cb 0.36 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1wfy h GLU 72 CO 0.02 0.00 0.44 -0.80 -1.16 0.00 0.00 179.01 177.51 1wfy s ASN 73 N -5.31 6.15 0.28 1.42 0.01 -0.81 -4.65 114.94 112.03 1wfy s ASN 73 Ca -0.05 2.16 -0.29 0.00 -0.71 0.00 0.00 52.86 53.97 1wfy s ASN 73 Cb 0.19 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 39.17 1wfy s ASN 73 CO 0.67 -0.92 1.08 -2.16 -1.51 0.00 0.00 177.10 174.26 1wfy s PRO 74 N -2.94 4.64 0.65 -0.60 0.04 -1.26 -1.16 135.00 134.38 1wfy s PRO 74 Ca 0.66 1.75 0.34 0.00 0.04 0.00 0.00 61.00 63.79 1wfy s PRO 74 Cb -0.24 -3.17 1.84 0.00 0.04 0.00 0.00 34.50 32.97 1wfy s PRO 74 CO 0.29 0.23 2.03 -0.39 0.04 0.00 0.00 177.00 179.20 1wfy h VAL 75 N 3.06 0.00 0.00 -0.36 -1.51 -1.36 0.31 116.25 116.38 1wfy h VAL 75 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1wfy h VAL 75 Cb 1.21 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1wfy h VAL 75 CO 0.67 0.00 0.05 0.77 -1.23 0.00 0.00 177.57 177.83 1wfy h SER 76 N 0.00 0.00 0.33 4.19 4.64 -1.78 0.63 113.55 121.56 1wfy h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wfy h SER 76 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1wfy h SER 76 CO 0.00 0.00 -1.03 -1.20 -0.87 0.00 0.00 176.83 173.73 1wfy n SER 77 N -2.85 0.63 -2.35 4.97 7.64 0.11 -4.19 113.62 117.58 1wfy n SER 77 Ca -0.02 -0.35 -0.25 0.00 1.01 0.00 0.00 58.87 59.25 1wfy n SER 77 Cb 0.11 0.86 0.01 0.00 -1.01 0.00 0.00 64.21 64.18 1wfy n SER 77 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1wfy n VAL 78 N -1.85 2.36 -1.44 0.44 0.24 0.21 -4.74 118.33 113.55 1wfy n VAL 78 Ca 0.02 -4.63 -0.19 0.00 -2.04 0.00 0.00 64.34 57.49 1wfy n VAL 78 Cb 0.41 -1.13 0.14 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.54 5.25 -3.59 2.33 0.00 -0.88 -4.55 120.51 118.53 1wfy n ALA 79 Ca 0.39 -3.24 -0.04 0.00 0.00 0.00 0.00 53.44 50.55 1wfy n ALA 79 Cb 0.76 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.04 -1.26 -0.03 0.00 7.64 -1.26 -4.82 113.62 112.86 1wfy n SER 80 Ca 0.49 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 58.23 1wfy n SER 80 Cb 1.13 2.17 0.00 0.00 -1.01 0.00 0.00 64.21 66.50 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 -0.37 0.00 -4.36 1.43 6.02 -1.26 -4.69 117.38 114.15 1wfy n GLN 81 Ca -0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.71 1wfy n GLN 81 Cb 0.39 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.48 1wfy n GLN 81 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wfy s THR 82 N 0.00 1.09 0.62 5.09 2.01 -1.26 -4.19 115.64 119.00 1wfy s THR 82 Ca 0.00 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 1wfy s THR 82 Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1wfy s THR 82 CO 0.00 0.36 0.96 -0.76 -0.69 0.00 0.00 174.62 174.49 1wfy s LEU 83 N 1.00 3.14 -0.21 4.42 1.43 -0.95 -4.15 118.68 123.35 1wfy s LEU 83 Ca -0.08 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1wfy s LEU 83 Cb -0.15 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1wfy s LEU 83 CO -0.00 -1.13 -0.08 -0.69 0.23 0.00 0.00 176.35 174.67 1wfy s VAL 84 N -3.10 1.57 -0.10 -1.59 1.01 -0.53 0.61 120.40 118.26 1wfy s VAL 84 Ca 0.55 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1wfy s VAL 84 Cb -0.11 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1wfy s VAL 84 CO 0.47 0.08 0.25 -0.22 0.00 0.00 0.00 175.10 175.68 1wfy s LEU 85 N 1.41 4.38 -0.50 3.92 1.98 0.17 -2.44 118.68 127.60 1wfy s LEU 85 Ca -0.03 0.61 0.04 0.00 -2.89 0.00 0.00 54.13 51.86 1wfy s LEU 85 Cb -0.17 -2.29 0.13 0.00 0.66 0.00 0.00 46.19 44.52 1wfy s LEU 85 CO -0.07 0.31 0.25 -1.81 -1.89 0.00 0.00 176.35 173.14 1wfy s ASP 86 N -0.67 4.23 0.88 3.68 1.11 -1.03 -2.55 116.67 122.31 1wfy s ASP 86 Ca 0.17 -2.93 -0.12 0.00 0.18 0.00 0.00 52.55 49.86 1wfy s ASP 86 Cb -0.14 -1.55 0.09 0.00 1.07 0.00 0.00 42.92 42.40 1wfy s ASP 86 CO 0.06 -0.24 0.96 0.35 1.18 0.00 0.00 175.17 177.48 1wfy n THR 87 N 3.21 0.73 -2.05 -1.27 -2.24 -1.26 -3.61 114.28 107.79 1wfy n THR 87 Ca 0.05 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 1wfy n THR 87 Cb 0.33 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.61 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 -4.13 3.36 -0.74 -0.78 0.04 -1.26 -4.90 135.00 126.59 1wfy s PRO 88 Ca 0.67 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 1wfy s PRO 88 Cb -0.25 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 1wfy s PRO 88 CO 0.58 -0.77 2.62 -0.35 0.04 0.00 0.00 177.00 179.12 1wfy n PRO 89 N -2.07 2.28 0.00 0.56 -0.04 -1.26 -4.34 135.00 130.13 1wfy n PRO 89 Ca 0.08 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1wfy n PRO 89 Cb 0.53 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1wfy n PRO 89 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wfy n ASP 90 N 3.42 0.00 -3.15 3.54 5.75 -1.26 -5.15 116.55 119.70 1wfy n ASP 90 Ca 0.49 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.31 1wfy n ASP 90 Cb 0.38 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1wfy n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wfy s ALA 91 N 0.00 -2.99 -0.41 2.12 0.00 -1.26 -5.12 121.76 114.10 1wfy s ALA 91 Ca 0.00 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 1wfy s ALA 91 Cb 0.00 -2.56 0.09 0.00 0.00 0.00 0.00 23.12 20.64 1wfy s ALA 91 CO 0.00 -1.78 0.24 0.15 0.00 0.00 0.00 175.76 174.36 1wfy s LYS 92 N 2.89 2.45 -0.30 0.00 1.02 -1.26 -5.00 119.74 119.54 1wfy s LYS 92 Ca 0.16 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1wfy s LYS 92 Cb -0.08 -3.70 0.17 0.00 -0.52 0.00 0.00 37.83 33.69 1wfy s LYS 92 CO -0.22 -0.98 0.46 1.41 -0.92 0.00 0.00 175.35 175.10 1wfy s MET 93 N 1.34 0.47 0.10 1.68 1.75 -1.26 -4.98 119.30 118.40 1wfy s MET 93 Ca 0.04 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 1wfy s MET 93 Cb -0.23 -0.18 0.00 0.00 2.84 0.00 0.00 34.83 37.26 1wfy s MET 93 CO 0.00 -1.05 0.00 0.45 -0.65 0.00 0.00 175.02 173.77 1wfy n SER 94 N 5.30 -0.87 0.12 1.11 2.88 -1.26 -5.06 113.62 115.84 1wfy n SER 94 Ca 0.02 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1wfy n SER 94 Cb 0.50 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 65.15 1wfy n SER 94 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wfy n GLU 95 N -3.02 0.00 -3.77 -1.46 2.13 -1.26 -5.17 120.64 108.09 1wfy n GLU 95 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1wfy n GLU 95 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1wfy n GLU 95 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wfy s ALA 96 N -1.95 -1.74 -0.29 4.31 0.00 -1.26 -5.15 121.76 115.68 1wfy s ALA 96 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1wfy s ALA 96 Cb 0.00 0.62 0.18 0.00 0.00 0.00 0.00 23.12 23.92 1wfy s ALA 96 CO 0.00 -1.05 0.51 0.50 0.00 0.00 0.00 175.76 175.71 1wfy s ARG 97 N -2.88 0.49 -0.15 0.00 6.06 -1.26 -5.06 118.95 116.15 1wfy s ARG 97 Ca 0.15 0.43 -0.34 0.00 -2.50 0.00 0.00 55.73 53.47 1wfy s ARG 97 Cb -0.01 0.02 -0.11 0.00 0.06 0.00 0.00 34.95 34.91 1wfy s ARG 97 CO 0.02 -0.97 1.94 0.43 -2.50 0.00 0.00 175.30 174.21 1wfy n SER 98 N 5.39 3.20 -3.15 -2.12 7.64 -1.26 -4.88 113.62 118.44 1wfy n SER 98 Ca 0.02 0.85 0.06 0.00 1.01 0.00 0.00 58.87 60.81 1wfy n SER 98 Cb 0.52 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 1wfy n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfy s SER 99 N 4.78 -0.32 -0.88 6.43 0.15 -1.26 -5.09 113.70 117.51 1wfy s SER 99 Ca 0.96 0.13 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 1wfy s SER 99 Cb -0.72 1.24 -0.21 0.00 -1.71 0.00 0.00 66.02 64.62 1wfy s SER 99 CO 0.51 -0.06 2.29 0.61 1.20 0.00 0.00 173.24 177.80 1wfy n GLY 100 N 5.32 -0.43 3.80 9.45 0.00 -1.26 -4.84 105.19 117.23 1wfy n GLY 100 Ca -0.01 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.56 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 7.61 2.13 -0.16 1.61 0.04 -1.26 -5.08 135.00 139.89 1wfy s PRO 101 Ca 1.19 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 1wfy s PRO 101 Cb -1.05 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 31.65 1wfy s PRO 101 CO 0.44 -1.59 0.35 -1.12 0.04 0.00 0.00 177.00 175.11 1wfy s SER 102 N -3.90 -0.02 -0.19 6.66 0.01 -1.26 -5.05 113.70 109.95 1wfy s SER 102 Ca 0.61 0.80 -0.17 0.00 1.31 0.00 0.00 55.95 58.50 1wfy s SER 102 Cb -0.14 0.99 -0.07 0.00 0.21 0.00 0.00 66.02 67.01 1wfy s SER 102 CO 0.54 -0.23 -0.33 -1.54 0.41 0.00 0.00 173.24 172.09 1wfy n SER 103 N 5.24 1.93 0.00 2.44 3.41 -1.26 -5.33 113.62 120.05 1wfy n SER 103 Ca -0.09 0.35 0.15 0.00 -0.26 0.00 0.00 58.87 59.02 1wfy n SER 103 Cb 0.50 -0.76 0.87 0.00 -0.26 0.00 0.00 64.21 64.56 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49