#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 4.31 -0.40 1.61 1.04 -1.26 -5.07 113.70 113.94 1wfy s SER 2 Ca 0.00 -2.52 -0.28 0.00 0.48 0.00 0.00 55.95 53.63 1wfy s SER 2 Cb 0.00 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 1wfy s SER 2 CO 0.00 -0.31 1.82 -0.55 0.98 0.00 0.00 173.24 175.19 1wfy s SER 3 N 0.41 5.72 0.06 7.02 0.15 -1.26 -4.61 113.70 121.20 1wfy s SER 3 Ca 0.14 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1wfy s SER 3 Cb -0.23 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wfy s SER 3 CO -0.05 -1.88 0.00 0.61 1.20 0.00 0.00 173.24 173.12 1wfy n GLY 4 N 5.49 0.97 2.39 9.45 0.00 -1.26 -5.06 105.19 117.18 1wfy n GLY 4 Ca 0.23 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 1wfy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfy n SER 5 N 0.49 -3.09 -3.83 1.61 7.64 -1.26 -5.08 113.62 110.09 1wfy n SER 5 Ca 0.00 1.09 -0.09 0.00 1.01 0.00 0.00 58.87 60.88 1wfy n SER 5 Cb 0.00 -4.38 -0.07 0.00 -1.01 0.00 0.00 64.21 58.75 1wfy n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfy s SER 6 N -0.83 0.03 1.06 6.43 0.15 -1.26 -5.16 113.70 114.12 1wfy s SER 6 Ca -0.14 -0.63 -0.20 0.00 0.70 0.00 0.00 55.95 55.68 1wfy s SER 6 Cb 0.01 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1wfy s SER 6 CO 0.62 -0.79 -0.41 0.61 1.20 0.00 0.00 173.24 174.47 1wfy n GLY 7 N -0.13 -2.61 3.64 9.45 0.00 -1.26 -5.04 105.19 109.24 1wfy n GLY 7 Ca -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.60 -0.44 0.57 1.61 -4.77 -1.26 -5.15 116.67 105.64 1wfy s ASP 8 Ca 0.46 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 50.42 1wfy s ASP 8 Cb -0.04 1.19 0.00 0.00 -1.09 0.00 0.00 42.92 42.98 1wfy s ASP 8 CO 0.60 -0.11 0.00 0.00 0.70 0.00 0.00 175.17 176.36 1wfy n GLN 9 N 3.65 -3.11 -3.84 2.11 6.02 -1.26 -4.89 117.38 116.06 1wfy n GLN 9 Ca -0.18 2.53 -0.29 0.00 -0.01 0.00 0.00 57.00 59.05 1wfy n GLN 9 Cb 0.57 -3.69 -0.16 0.00 1.02 0.00 0.00 30.24 27.98 1wfy n GLN 9 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wfy s GLU 10 N -4.27 1.16 0.22 -1.09 2.02 -1.26 -4.95 118.70 110.53 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 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1wfy s GLU 10 CO 0.00 -0.57 0.00 0.28 0.02 0.00 0.00 175.26 174.99 1wfy n VAL 11 N 4.88 0.24 -2.63 2.63 0.31 -1.26 -5.08 118.33 117.42 1wfy n VAL 11 Ca -0.11 0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 1wfy n VAL 11 Cb 0.46 -0.74 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.00 4.73 0.42 5.55 1.81 -1.26 -5.03 118.95 123.17 1wfy s ARG 12 Ca 0.00 1.61 -0.22 0.00 -1.72 0.00 0.00 55.73 55.40 1wfy s ARG 12 Cb 0.00 -3.19 -0.10 0.00 -0.45 0.00 0.00 34.95 31.21 1wfy s ARG 12 CO 0.00 0.35 0.97 -0.51 -0.68 0.00 0.00 175.30 175.43 1wfy s LEU 13 N -1.40 4.00 0.27 2.53 2.01 -1.26 -5.07 118.68 119.76 1wfy s LEU 13 Ca 0.44 1.76 0.04 0.00 0.01 0.00 0.00 54.13 56.37 1wfy s LEU 13 Cb -0.28 -4.45 -0.06 0.00 0.01 0.00 0.00 46.19 41.42 1wfy s LEU 13 CO 0.35 -0.38 0.01 -0.70 1.01 0.00 0.00 176.35 176.64 1wfy s GLU 14 N -2.99 1.46 0.24 1.70 2.12 -1.26 -5.15 118.70 114.82 1wfy s GLU 14 Ca 0.61 -1.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.13 1wfy s GLU 14 Cb -0.12 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.47 1wfy s GLU 14 CO 0.16 -0.11 0.48 -0.80 -0.54 0.00 0.00 175.26 174.45 1wfy s ASN 15 N -3.38 6.45 0.00 -1.70 -0.87 -1.26 -4.90 114.94 109.29 1wfy s ASN 15 Ca 0.31 0.63 -0.39 0.00 -1.57 0.00 0.00 52.86 51.84 1wfy s ASN 15 Cb 0.06 -2.11 -0.18 0.00 -0.02 0.00 0.00 41.25 39.00 1wfy s ASN 15 CO 0.11 -0.11 1.24 0.54 -2.57 0.00 0.00 177.10 176.32 1wfy n ARG 16 N -0.65 0.55 -3.96 -0.60 3.00 -1.26 -4.57 116.66 109.16 1wfy n ARG 16 Ca -0.02 0.20 -0.30 0.00 -0.01 0.00 0.00 57.85 57.72 1wfy n ARG 16 Cb 0.53 -1.77 -0.05 0.00 0.00 0.00 0.00 32.46 31.18 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 0.51 5.12 0.11 0.55 -5.25 -0.66 -4.90 121.20 116.69 1wfy s ILE 17 Ca 0.89 -0.56 0.03 0.00 -0.99 0.00 0.00 60.65 60.02 1wfy s ILE 17 Cb -1.13 -3.52 -0.04 0.00 2.95 0.00 0.00 42.46 40.71 1wfy s ILE 17 CO 0.54 0.09 -0.09 -0.89 -1.79 0.00 0.00 174.94 172.80 1wfy s THR 18 N -1.53 0.93 0.20 8.37 2.01 -1.26 -1.71 115.64 122.64 1wfy s THR 18 Ca 0.33 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.34 1wfy s THR 18 Cb -0.12 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1wfy s THR 18 CO 0.26 -0.72 0.44 0.72 -0.69 0.00 0.00 174.62 174.64 1wfy s PHE 19 N -3.08 0.14 0.13 4.92 -0.71 -0.28 -3.85 117.98 115.26 1wfy s PHE 19 Ca 0.11 -0.50 0.03 0.00 -1.04 0.00 0.00 56.93 55.52 1wfy s PHE 19 Cb 0.01 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1wfy s PHE 19 CO -0.01 -0.88 0.24 -0.65 -1.34 0.00 0.00 175.22 172.57 1wfy s GLN 20 N -3.93 3.32 -0.04 1.99 -0.21 -1.24 -0.40 119.66 119.15 1wfy s GLN 20 Ca 0.14 -0.62 0.03 0.00 0.02 0.00 0.00 55.36 54.93 1wfy s GLN 20 Cb 0.00 -2.91 0.00 0.00 1.00 0.00 0.00 33.01 31.10 1wfy s GLN 20 CO 0.01 0.53 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.40 1wfy s LEU 21 N -3.05 1.84 -0.46 2.90 0.20 0.30 0.43 118.68 120.85 1wfy s LEU 21 Ca 0.34 -0.28 -0.17 0.00 0.69 0.00 0.00 54.13 54.71 1wfy s LEU 21 Cb -0.11 -0.79 0.05 0.00 -0.43 0.00 0.00 46.19 44.91 1wfy s LEU 21 CO 0.27 0.11 0.45 -0.70 -0.29 0.00 0.00 176.35 176.19 1wfy s GLU 22 N 0.15 3.04 -1.07 1.98 2.12 0.79 -1.81 118.70 123.90 1wfy s GLU 22 Ca -0.04 -1.05 -0.20 0.00 0.36 0.00 0.00 54.97 54.04 1wfy s GLU 22 Cb -0.11 -4.06 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 1wfy s GLU 22 CO 0.02 -0.99 1.99 1.28 -0.54 0.00 0.00 175.26 177.01 1wfy n LEU 23 N 5.53 4.74 -4.68 2.70 4.77 -1.26 -0.67 117.00 128.13 1wfy n LEU 23 Ca -0.09 -3.36 -0.62 0.00 -0.03 0.00 0.00 56.01 51.90 1wfy n LEU 23 Cb 0.45 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 1wfy n LEU 23 CO 0.48 -0.16 1.05 0.52 -1.33 0.00 0.00 177.39 177.95 1wfy n VAL 24 N 6.09 0.07 0.00 4.08 0.31 -1.06 -1.21 118.33 126.61 1wfy n VAL 24 Ca 0.49 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1wfy n VAL 24 Cb 0.42 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 3.41 1.17 0.00 2.92 0.00 -1.26 -4.78 105.19 106.65 1wfy n GLY 25 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1wfy n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfy n LEU 26 N 0.00 0.00 -3.50 0.99 4.77 -0.35 -5.11 117.00 113.81 1wfy n LEU 26 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1wfy n LEU 26 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1wfy n LEU 26 CO 0.00 0.00 -0.21 -1.84 -1.33 0.00 0.00 177.39 174.01 1wfy n GLU 27 N 0.00 0.89 -3.85 3.23 0.28 -1.26 -4.93 120.64 114.99 1wfy n GLU 27 Ca 0.00 -3.65 -0.04 0.00 -0.16 0.00 0.00 57.16 53.32 1wfy n GLU 27 Cb 0.00 -1.81 0.01 0.00 1.43 0.00 0.00 31.44 31.07 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 -0.74 1.41 -0.35 3.44 3.03 -1.26 -5.13 118.95 119.35 1wfy s ARG 28 Ca 0.32 -0.88 0.01 0.00 2.03 0.00 0.00 55.73 57.21 1wfy s ARG 28 Cb 0.05 0.41 0.14 0.00 -1.03 0.00 0.00 34.95 34.52 1wfy s ARG 28 CO -0.16 -0.66 0.30 0.08 -1.13 0.00 0.00 175.30 173.72 1wfy s VAL 29 N -2.41 -0.16 0.53 4.99 1.01 -1.26 -4.19 120.40 118.91 1wfy s VAL 29 Ca 0.19 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 1wfy s VAL 29 Cb -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1wfy s VAL 29 CO 0.05 -0.72 1.10 0.68 0.00 0.00 0.00 175.10 176.21 1wfy s VAL 30 N 1.44 3.34 0.11 2.92 -7.23 -0.75 -4.73 120.40 115.51 1wfy s VAL 30 Ca 0.16 0.82 0.08 0.00 -1.81 0.00 0.00 61.98 61.23 1wfy s VAL 30 Cb -0.18 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 1wfy s VAL 30 CO -0.07 -0.20 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.80 1wfy s ARG 31 N -3.33 2.01 -0.07 4.82 6.06 -1.26 0.11 118.95 127.30 1wfy s ARG 31 Ca 0.71 -1.09 0.00 0.00 -2.50 0.00 0.00 55.73 52.85 1wfy s ARG 31 Cb -0.22 -2.23 0.02 0.00 0.06 0.00 0.00 34.95 32.58 1wfy s ARG 31 CO 0.26 0.49 -0.05 0.42 -2.50 0.00 0.00 175.30 173.92 1wfy s ILE 32 N -1.23 0.68 -0.09 4.11 1.01 0.46 -4.95 121.20 121.19 1wfy s ILE 32 Ca 0.21 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1wfy s ILE 32 Cb -0.11 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1wfy s ILE 32 CO 0.13 0.28 -0.24 -0.94 0.00 0.00 0.00 174.94 174.17 1wfy s SER 33 N 1.26 3.09 -0.10 3.58 1.04 -1.26 -1.12 113.70 120.18 1wfy s SER 33 Ca -0.05 -0.55 -0.32 0.00 0.48 0.00 0.00 55.95 55.51 1wfy s SER 33 Cb -0.14 -1.34 0.12 0.00 0.10 0.00 0.00 66.02 64.77 1wfy s SER 33 CO -0.02 0.17 1.05 0.00 0.98 0.00 0.00 173.24 175.42 1wfy s ALA 34 N 0.27 -1.95 0.71 5.32 0.00 -0.69 -5.02 121.76 120.40 1wfy s ALA 34 Ca -0.17 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 1wfy s ALA 34 Cb -0.17 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1wfy s ALA 34 CO 0.08 -0.62 0.68 0.36 0.00 0.00 0.00 175.76 176.27 1wfy n LYS 35 N -0.11 0.40 0.08 0.00 0.00 -1.26 -1.65 118.16 115.62 1wfy n LYS 35 Ca -0.05 0.18 -0.07 0.00 -0.00 0.00 0.00 58.31 58.38 1wfy n LYS 35 Cb 0.60 -1.96 -0.04 0.00 -0.00 0.00 0.00 35.03 33.63 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 -0.26 -0.28 -0.91 -1.58 0.13 -1.87 -3.34 132.00 123.89 1wfy h PRO 36 Ca -0.46 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1wfy h PRO 36 Cb 1.35 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.41 1wfy h PRO 36 CO 0.45 -0.06 -0.43 0.25 -0.23 0.00 0.00 178.00 177.97 1wfy n THR 37 N -4.96 -0.54 -1.06 1.56 -2.24 -1.26 -3.15 114.28 102.62 1wfy n THR 37 Ca -0.05 2.16 -0.37 0.00 -2.27 0.00 0.00 64.05 63.52 1wfy n THR 37 Cb 0.18 -2.77 0.03 0.00 -2.10 0.00 0.00 70.33 65.67 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 -5.25 -0.00 -1.30 -0.78 5.02 -1.25 -4.66 118.16 109.94 1wfy n LYS 38 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 1wfy n LYS 38 Cb 0.31 -1.01 0.11 0.00 -0.02 0.00 0.00 35.03 34.42 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 2.19 -0.58 0.08 1.97 1.74 -1.26 -2.91 116.66 117.89 1wfy n ARG 39 Ca 0.01 -1.34 -0.03 0.00 -0.77 0.00 0.00 57.85 55.72 1wfy n ARG 39 Cb 0.54 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 31.18 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 0.20 0.55 3.38 -1.29 -2.39 115.31 115.77 1wfy h LEU 40 Ca -0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 1wfy h LEU 40 Cb 0.73 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.50 1wfy h LEU 40 CO 0.19 0.75 -1.52 0.06 0.09 0.00 0.00 178.44 178.01 1wfy h GLN 41 N 0.00 0.43 0.00 1.13 3.07 -1.75 -1.97 115.11 116.01 1wfy h GLN 41 Ca -0.06 -0.74 -0.06 0.00 0.09 0.00 0.00 58.65 57.88 1wfy h GLN 41 Cb 1.63 0.27 -0.01 0.00 0.08 0.00 0.00 27.48 29.45 1wfy h GLN 41 CO 0.09 1.35 -0.29 0.93 0.09 0.00 0.00 178.83 181.01 1wfy h GLU 42 N 0.03 0.00 0.00 0.06 4.39 -1.84 1.09 114.58 118.31 1wfy h GLU 42 Ca -0.29 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 1wfy h GLU 42 Cb 2.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 1wfy h GLU 42 CO 0.20 0.29 -1.08 0.00 -1.16 0.00 0.00 179.01 177.26 1wfy h ALA 43 N 1.71 0.65 0.00 3.43 0.00 -1.50 -3.28 119.26 120.27 1wfy h ALA 43 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1wfy h ALA 43 Cb 0.76 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wfy h ALA 43 CO 0.04 0.75 -1.03 1.28 0.00 0.00 0.00 179.25 180.29 1wfy n LEU 44 N -2.99 0.67 -0.05 0.00 7.99 -0.74 -4.25 117.00 117.64 1wfy n LEU 44 Ca -0.05 -0.17 -0.08 0.00 -0.01 0.00 0.00 56.01 55.69 1wfy n LEU 44 Cb 0.78 -0.08 -0.02 0.00 -0.11 0.00 0.00 43.42 43.99 1wfy n LEU 44 CO 0.42 0.12 0.86 1.56 -1.51 0.00 0.00 177.39 178.84 1wfy h GLN 45 N 0.00 0.07 0.00 3.23 1.08 0.12 1.68 115.11 121.29 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 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1wfy h GLN 45 CO 0.00 0.05 0.00 -0.35 -0.95 0.00 0.00 178.83 177.58 1wfy n PRO 46 N -5.14 0.47 -0.13 1.46 -0.04 -1.26 -0.97 135.00 129.40 1wfy n PRO 46 Ca -0.02 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 1wfy n PRO 46 Cb 0.11 -1.50 -0.10 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 -1.18 1.45 -0.18 0.52 2.08 0.15 -3.69 119.36 118.50 1wfy n ILE 47 Ca 0.13 -0.37 -0.10 0.00 0.56 0.00 0.00 62.75 62.97 1wfy n ILE 47 Cb 0.15 -1.85 0.01 0.00 -0.75 0.00 0.00 39.64 37.19 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 -0.93 0.91 -1.41 1.39 3.38 0.24 0.45 115.31 119.34 1wfy h LEU 48 Ca -0.67 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 56.93 1wfy h LEU 48 Cb 1.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1wfy h LEU 48 CO -0.40 1.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.92 1wfy h ALA 49 N 0.94 1.51 0.00 1.53 0.00 -1.21 1.64 119.26 123.67 1wfy h ALA 49 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wfy h ALA 49 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wfy h ALA 49 CO 0.03 0.36 -0.43 1.17 0.00 0.00 0.00 179.25 180.38 1wfy n LYS 50 N -4.24 0.05 -0.12 0.00 4.81 -0.88 -3.39 118.16 114.40 1wfy n LYS 50 Ca -0.01 0.02 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1wfy n LYS 50 Cb 0.30 -1.53 0.11 0.00 0.02 0.00 0.00 35.03 33.93 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 -1.61 0.32 -1.29 5.64 8.25 0.15 -4.95 115.22 121.74 1wfy n HIS 51 Ca 0.05 -0.47 -0.10 0.00 -0.26 0.00 0.00 57.72 56.94 1wfy n HIS 51 Cb 0.35 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 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 0.25 0.95 1.98 -1.41 0.00 0.28 -4.94 105.19 102.31 1wfy n GLY 52 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.13 0.00 -3.91 0.99 4.77 0.49 -4.82 117.00 113.38 1wfy n LEU 53 Ca -0.10 -1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 54.72 1wfy n LEU 53 Cb 0.58 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1wfy n LEU 53 CO 0.15 -0.76 -0.22 -0.44 -1.33 0.00 0.00 177.39 174.79 1wfy s SER 54 N -3.11 0.12 0.46 -1.43 0.01 -1.26 -4.15 113.70 104.35 1wfy s SER 54 Ca 0.34 -0.39 0.24 0.00 1.31 0.00 0.00 55.95 57.46 1wfy s SER 54 Cb -0.02 0.20 1.11 0.00 0.21 0.00 0.00 66.02 67.52 1wfy s SER 54 CO 0.23 -0.42 1.92 -0.07 0.41 0.00 0.00 173.24 175.31 1wfy h LEU 55 N 4.08 0.00 -3.50 2.44 3.38 -1.94 -1.29 115.31 118.48 1wfy h LEU 55 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1wfy h LEU 55 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wfy h LEU 55 CO 0.45 0.21 0.03 -0.67 0.09 0.00 0.00 178.44 178.54 1wfy n ASP 56 N -3.56 5.12 -0.03 -0.43 -0.08 -1.26 -4.37 116.55 111.94 1wfy n ASP 56 Ca -0.01 -3.00 -0.05 0.00 -1.51 0.00 0.00 54.79 50.21 1wfy n ASP 56 Cb 0.35 -0.65 -0.02 0.00 2.34 0.00 0.00 41.12 43.14 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 0.21 0.11 -2.60 -0.67 1.13 -0.54 -5.06 117.38 109.96 1wfy n GLN 57 Ca 0.28 0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 55.13 1wfy n GLN 57 Cb 1.14 -0.72 0.02 0.00 0.11 0.00 0.00 30.24 30.79 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 -2.09 3.84 -0.15 5.09 -7.23 -0.85 -3.98 120.40 115.02 1wfy s VAL 58 Ca -0.07 -0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1wfy s VAL 58 Cb 0.03 -3.49 0.04 0.00 0.56 0.00 0.00 36.38 33.52 1wfy s VAL 58 CO 0.09 -0.45 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.70 1wfy s VAL 59 N -2.84 1.01 -0.05 1.32 1.01 -1.23 -4.90 120.40 114.71 1wfy s VAL 59 Ca 0.52 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1wfy s VAL 59 Cb -0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1wfy s VAL 59 CO 0.43 0.17 0.26 -0.22 0.00 0.00 0.00 175.10 175.73 1wfy s LEU 60 N 1.69 4.41 0.00 3.92 2.96 -1.26 -2.23 118.68 128.16 1wfy s LEU 60 Ca 0.02 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1wfy s LEU 60 Cb -0.15 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1wfy s LEU 60 CO -0.08 0.35 0.00 0.00 -1.32 0.00 0.00 176.35 175.30 1wfy n HIS 61 N 1.74 0.00 -0.97 5.38 1.44 -1.09 -0.19 115.22 121.53 1wfy n HIS 61 Ca -0.16 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.19 1wfy n HIS 61 Cb 0.54 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.70 1wfy n HIS 61 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wfy n ARG 62 N 0.00 -0.08 -2.02 -1.40 1.74 -1.26 -3.67 116.66 109.97 1wfy n ARG 62 Ca 0.00 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 1wfy n ARG 62 Cb 0.00 -1.13 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1wfy n ARG 62 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wfy n PRO 63 N 1.85 2.33 0.00 5.56 -0.04 -1.26 -3.18 135.00 140.25 1wfy n PRO 63 Ca -0.01 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1wfy n PRO 63 Cb 0.58 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 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 5.15 0.33 3.81 0.55 0.00 -1.26 -5.12 105.19 108.65 1wfy n GLY 64 Ca 0.48 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 2.21 -0.03 1.61 0.41 -1.19 -5.10 118.70 116.62 1wfy s GLU 65 Ca 0.00 -2.24 -0.02 0.00 -0.41 0.00 0.00 54.97 52.30 1wfy s GLU 65 Cb 0.00 -1.75 -0.01 0.00 -1.78 0.00 0.00 34.13 30.59 1wfy s GLU 65 CO 0.00 -0.44 -0.05 1.17 -0.49 0.00 0.00 175.26 175.45 1wfy n LYS 66 N -1.44 0.07 -4.06 1.61 0.00 -1.26 -5.04 118.16 108.05 1wfy n LYS 66 Ca -0.12 0.04 -0.22 0.00 0.00 0.00 0.00 58.31 58.02 1wfy n LYS 66 Cb 0.66 -0.64 -0.04 0.00 0.00 0.00 0.00 35.03 35.00 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 -1.27 2.90 0.55 1.64 -0.21 -1.26 -5.11 119.66 116.91 1wfy s GLN 67 Ca -0.04 -1.09 -0.17 0.00 0.02 0.00 0.00 55.36 54.08 1wfy s GLN 67 Cb 0.01 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 1wfy s GLN 67 CO 0.06 0.35 1.05 -1.25 -2.12 0.00 0.00 175.29 173.37 1wfy s PRO 68 N -3.87 3.52 0.37 2.91 0.04 -1.26 -4.90 135.00 131.81 1wfy s PRO 68 Ca 0.34 1.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 1wfy s PRO 68 Cb -0.08 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1wfy s PRO 68 CO 0.25 -0.65 1.18 -1.64 0.04 0.00 0.00 177.00 176.18 1wfy s MET 69 N -3.82 4.20 -0.13 4.56 -1.94 0.73 -4.91 119.30 117.99 1wfy s MET 69 Ca 0.64 1.89 0.08 0.00 -1.71 0.00 0.00 55.69 56.59 1wfy s MET 69 Cb -0.16 -2.82 0.47 0.00 2.01 0.00 0.00 34.83 34.33 1wfy s MET 69 CO 0.31 -0.21 1.21 -0.25 -0.01 0.00 0.00 175.02 176.07 1wfy n ASP 70 N 0.37 3.69 -2.45 3.03 8.00 -1.26 -4.67 116.55 123.25 1wfy n ASP 70 Ca 0.03 -2.53 -0.00 0.00 0.71 0.00 0.00 54.79 53.00 1wfy n ASP 70 Cb 0.45 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.35 -0.02 -0.08 0.64 4.77 -1.26 -4.68 117.00 116.72 1wfy n LEU 71 Ca 0.16 0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 56.43 1wfy n LEU 71 Cb 0.79 -1.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1wfy n LEU 71 CO 0.19 -0.00 -1.12 -0.62 -1.33 0.00 0.00 177.39 174.50 1wfy n GLU 72 N -2.45 0.69 -1.74 3.23 -0.58 -1.26 -2.28 120.64 116.25 1wfy n GLU 72 Ca -0.00 0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 1wfy n GLU 72 Cb 0.48 -1.59 0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1wfy n GLU 72 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wfy s ASN 73 N -6.60 4.93 0.29 1.62 0.01 -1.26 -4.54 114.94 109.38 1wfy s ASN 73 Ca -0.28 2.14 -0.29 0.00 -0.71 0.00 0.00 52.86 53.72 1wfy s ASN 73 Cb 0.08 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 1wfy s ASN 73 CO 0.68 -1.75 1.08 -2.16 -1.51 0.00 0.00 177.10 173.44 1wfy s PRO 74 N -3.90 4.62 0.59 -0.60 0.04 -1.26 -1.84 135.00 132.65 1wfy s PRO 74 Ca 0.70 1.75 0.30 0.00 0.04 0.00 0.00 61.00 63.79 1wfy s PRO 74 Cb -0.24 -3.14 1.30 0.00 0.04 0.00 0.00 34.50 32.46 1wfy s PRO 74 CO 0.40 0.21 1.65 -0.39 0.04 0.00 0.00 177.00 178.91 1wfy h VAL 75 N 3.02 0.21 0.00 -0.36 -1.51 -1.48 1.27 116.25 117.39 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 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1wfy h VAL 75 CO 0.67 0.00 0.25 0.77 -1.23 0.00 0.00 177.57 178.02 1wfy h SER 76 N 0.00 0.00 0.69 4.19 4.64 -1.83 0.66 113.55 121.89 1wfy h SER 76 Ca 0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.45 1wfy h SER 76 Cb 2.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.15 1wfy h SER 76 CO -0.00 0.00 -1.29 0.28 -0.87 0.00 0.00 176.83 174.94 1wfy h SER 77 N 0.00 0.23 0.46 4.97 0.02 0.13 -3.17 113.55 116.19 1wfy h SER 77 Ca 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1wfy h SER 77 Cb 0.49 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1wfy h SER 77 CO 0.00 1.23 -0.13 1.33 -1.14 0.00 0.00 176.83 178.12 1wfy n VAL 78 N -3.40 0.00 -1.68 2.27 0.24 0.21 -4.87 118.33 111.10 1wfy n VAL 78 Ca -0.09 -0.04 -0.52 0.00 -2.04 0.00 0.00 64.34 61.65 1wfy n VAL 78 Cb 1.01 -0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.09 0.39 0.00 2.33 0.00 -0.21 -4.54 120.51 117.40 1wfy n ALA 79 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1wfy n ALA 79 Cb 0.29 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 5.48 0.00 -0.14 0.00 2.88 -1.25 -5.06 113.62 115.52 1wfy n SER 80 Ca 0.23 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.79 1wfy n SER 80 Cb 0.23 0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1wfy n SER 80 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wfy n GLN 81 N -0.81 -0.28 -4.03 -1.46 7.27 -1.26 -4.87 117.38 111.93 1wfy n GLN 81 Ca 0.00 0.19 -0.34 0.00 0.07 0.00 0.00 57.00 56.93 1wfy n GLN 81 Cb 0.00 -0.34 -0.15 0.00 2.41 0.00 0.00 30.24 32.15 1wfy n GLN 81 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wfy s THR 82 N -1.41 2.59 0.97 1.69 2.01 -1.26 -3.59 115.64 116.64 1wfy s THR 82 Ca 0.00 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 1wfy s THR 82 Cb 0.00 -2.16 0.18 0.00 0.01 0.00 0.00 72.50 70.53 1wfy s THR 82 CO 0.00 0.46 1.20 -0.76 -0.69 0.00 0.00 174.62 174.82 1wfy s LEU 83 N 1.35 2.05 -0.06 4.42 1.43 0.17 -4.35 118.68 123.70 1wfy s LEU 83 Ca 0.05 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1wfy s LEU 83 Cb -0.14 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.30 1wfy s LEU 83 CO -0.09 -2.82 -0.03 -0.69 0.23 0.00 0.00 176.35 172.95 1wfy s VAL 84 N -3.46 0.52 -0.08 -1.59 1.01 -1.24 -0.15 120.40 115.41 1wfy s VAL 84 Ca 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1wfy s VAL 84 Cb -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1wfy s VAL 84 CO 0.53 0.24 -0.03 -0.22 0.00 0.00 0.00 175.10 175.63 1wfy s LEU 85 N 1.26 3.41 -0.58 3.92 1.98 0.16 -2.67 118.68 126.16 1wfy s LEU 85 Ca -0.06 0.07 0.04 0.00 -2.89 0.00 0.00 54.13 51.30 1wfy s LEU 85 Cb -0.14 -1.77 0.17 0.00 0.66 0.00 0.00 46.19 45.11 1wfy s LEU 85 CO -0.02 0.37 0.41 -1.81 -1.89 0.00 0.00 176.35 173.41 1wfy s ASP 86 N -0.82 3.58 0.87 3.68 1.11 -0.95 -2.56 116.67 121.58 1wfy s ASP 86 Ca 0.12 -3.46 -0.14 0.00 0.18 0.00 0.00 52.55 49.26 1wfy s ASP 86 Cb -0.11 -1.18 0.00 0.00 1.07 0.00 0.00 42.92 42.70 1wfy s ASP 86 CO 0.02 -0.13 0.41 0.35 1.18 0.00 0.00 175.17 177.00 1wfy n THR 87 N 2.44 0.65 -1.54 -1.27 -2.24 -1.26 -3.55 114.28 107.51 1wfy n THR 87 Ca 0.22 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 1wfy n THR 87 Cb 0.39 -0.64 0.14 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.28 0.96 0.11 -0.78 0.04 -1.26 -4.94 135.00 125.87 1wfy s PRO 88 Ca 0.59 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 1wfy s PRO 88 Cb -0.26 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 1wfy s PRO 88 CO 0.65 -2.30 1.29 -1.00 0.04 0.00 0.00 177.00 175.67 1wfy h PRO 89 N -1.57 0.60 -4.83 0.56 0.13 -1.93 -3.42 132.00 121.54 1wfy h PRO 89 Ca -0.50 -0.58 -0.66 0.00 -0.87 0.00 0.00 66.00 63.39 1wfy h PRO 89 Cb 1.32 0.15 -0.37 0.00 0.13 0.00 0.00 31.00 32.24 1wfy h PRO 89 CO 0.59 1.20 -0.82 0.34 -0.23 0.00 0.00 178.00 179.08 1wfy s ASP 90 N -7.14 3.89 -0.06 1.44 -1.08 -1.26 -4.58 116.67 107.87 1wfy s ASP 90 Ca -0.08 -1.10 0.05 0.00 -0.52 0.00 0.00 52.55 50.89 1wfy s ASP 90 Cb 0.08 -1.45 -0.00 0.00 -1.46 0.00 0.00 42.92 40.09 1wfy s ASP 90 CO 0.89 -0.14 -0.21 0.00 0.52 0.00 0.00 175.17 176.23 1wfy s ALA 91 N 1.22 1.90 -0.05 3.66 0.00 -1.26 -5.08 121.76 122.15 1wfy s ALA 91 Ca -0.04 -0.87 -0.37 0.00 0.00 0.00 0.00 51.96 50.67 1wfy s ALA 91 Cb -0.17 -0.64 -0.15 0.00 0.00 0.00 0.00 23.12 22.15 1wfy s ALA 91 CO -0.08 0.33 1.57 1.63 0.00 0.00 0.00 175.76 179.21 1wfy n LYS 92 N 3.19 1.38 -3.64 0.00 5.02 -1.26 -4.86 118.16 117.99 1wfy n LYS 92 Ca -0.18 0.50 -0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1wfy n LYS 92 Cb 0.52 -2.20 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 1wfy n LYS 92 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1wfy s MET 93 N 1.98 0.48 0.15 1.97 1.75 -1.26 -5.01 119.30 119.36 1wfy s MET 93 Ca 0.89 0.62 -0.26 0.00 -1.25 0.00 0.00 55.69 55.70 1wfy s MET 93 Cb -0.93 0.21 -0.00 0.00 2.84 0.00 0.00 34.83 36.94 1wfy s MET 93 CO 0.53 -0.07 1.59 1.03 -0.65 0.00 0.00 175.02 177.45 1wfy h SER 94 N 4.61 -1.23 -2.35 1.11 0.87 -2.05 -2.74 113.55 111.76 1wfy h SER 94 Ca -0.28 0.19 -0.69 0.00 -1.23 0.00 0.00 61.79 59.77 1wfy h SER 94 Cb 1.18 0.53 -0.35 0.00 -0.44 0.00 0.00 62.40 63.32 1wfy h SER 94 CO 0.12 -0.37 0.12 -1.84 -0.53 0.00 0.00 176.83 174.33 1wfy n GLU 95 N -5.42 4.03 -2.33 2.24 0.28 -1.26 -5.04 120.64 113.14 1wfy n GLU 95 Ca -0.02 -4.73 -0.27 0.00 -0.16 0.00 0.00 57.16 51.99 1wfy n GLU 95 Cb 0.35 -2.36 0.04 0.00 1.43 0.00 0.00 31.44 30.90 1wfy n GLU 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wfy s ALA 96 N -3.50 3.26 -0.29 -1.84 0.00 -1.04 -5.08 121.76 113.26 1wfy s ALA 96 Ca 0.42 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1wfy s ALA 96 Cb 0.20 -2.63 0.20 0.00 0.00 0.00 0.00 23.12 20.88 1wfy s ALA 96 CO -0.08 -0.89 0.69 0.50 0.00 0.00 0.00 175.76 175.98 1wfy s ARG 97 N -5.05 0.47 -0.28 0.00 3.52 -1.26 -5.07 118.95 111.28 1wfy s ARG 97 Ca 0.55 0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.35 1wfy s ARG 97 Cb -0.11 0.23 0.19 0.00 -1.56 0.00 0.00 34.95 33.70 1wfy s ARG 97 CO 0.46 -0.85 1.35 0.45 -0.81 0.00 0.00 175.30 175.90 1wfy s SER 98 N 2.86 -0.04 0.30 -2.12 0.15 -1.26 -5.06 113.70 108.53 1wfy s SER 98 Ca 0.14 0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 1wfy s SER 98 Cb -0.09 0.04 -0.12 0.00 -1.71 0.00 0.00 66.02 64.14 1wfy s SER 98 CO -0.25 -0.04 1.55 -1.20 1.20 0.00 0.00 173.24 174.50 1wfy n SER 99 N 0.49 3.70 -3.28 5.45 7.64 -1.26 -4.85 113.62 121.51 1wfy n SER 99 Ca 0.00 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 60.97 1wfy n SER 99 Cb 0.59 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 1wfy n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfy s GLY 100 N 0.34 -0.68 0.70 0.23 0.00 -1.26 -4.23 107.32 102.43 1wfy s GLY 100 Ca 0.62 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 1wfy s GLY 100 CO 0.52 3.17 1.06 2.56 0.00 0.00 0.00 173.10 180.41 1wfy s PRO 101 N 2.35 2.87 -0.07 2.90 0.04 -1.26 -5.07 135.00 136.75 1wfy s PRO 101 Ca 0.11 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1wfy s PRO 101 Cb -0.11 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1wfy s PRO 101 CO -0.23 -1.14 -0.06 -1.54 0.04 0.00 0.00 177.00 174.07 1wfy s SER 102 N -3.81 1.60 0.03 6.66 1.04 -1.26 -4.92 113.70 113.03 1wfy s SER 102 Ca 0.58 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1wfy s SER 102 Cb -0.14 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1wfy s SER 102 CO 0.55 -0.09 0.00 -0.24 0.98 0.00 0.00 173.24 174.44 1wfy n SER 103 N 4.50 -0.25 0.00 7.02 2.88 -1.26 -5.38 113.62 121.12 1wfy n SER 103 Ca -0.17 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wfy n SER 103 Cb 0.51 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 1wfy n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42