#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfh s SER 2 N 0.00 4.87 -0.27 1.61 0.15 -1.26 -5.09 113.70 113.71 1wfh s SER 2 Ca 0.00 -0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 1wfh s SER 2 Cb 0.00 -1.76 0.08 0.00 -1.71 0.00 0.00 66.02 62.63 1wfh s SER 2 CO 0.00 0.19 0.76 -0.55 1.20 0.00 0.00 173.24 174.84 1wfh s SER 3 N 0.25 -0.72 0.00 5.45 0.15 -1.26 -5.13 113.70 112.44 1wfh s SER 3 Ca -0.02 1.37 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1wfh s SER 3 Cb -0.14 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1wfh s SER 3 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wfh n GLY 4 N 2.76 1.65 3.66 9.45 0.00 -1.26 -5.12 105.19 116.34 1wfh n GLY 4 Ca -0.14 0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1wfh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfh n SER 5 N 0.00 2.68 -4.71 1.61 7.64 -1.26 -4.90 113.62 114.68 1wfh n SER 5 Ca 0.00 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.57 1wfh n SER 5 Cb 0.00 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 1wfh n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfh s SER 6 N 0.55 7.02 0.00 6.43 0.01 -1.26 -4.84 113.70 121.61 1wfh s SER 6 Ca 0.75 2.06 0.00 0.00 1.31 0.00 0.00 55.95 60.07 1wfh s SER 6 Cb -0.71 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 62.94 1wfh s SER 6 CO 0.44 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wfh n GLY 7 N 3.30 0.30 3.05 3.44 0.00 -1.26 -5.08 105.19 108.94 1wfh n GLY 7 Ca 0.10 -2.30 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 1wfh n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfh s GLN 8 N -0.15 0.20 0.06 1.61 -0.21 -1.26 -5.14 119.66 114.78 1wfh s GLN 8 Ca 0.00 0.30 -0.31 0.00 0.02 0.00 0.00 55.36 55.38 1wfh s GLN 8 Cb 0.00 0.05 -0.07 0.00 1.00 0.00 0.00 33.01 33.99 1wfh s GLN 8 CO 0.00 -0.06 1.40 -1.25 -2.12 0.00 0.00 175.29 173.26 1wfh s PRO 9 N 0.35 4.30 0.01 2.91 0.04 -1.26 -5.03 135.00 136.33 1wfh s PRO 9 Ca -0.02 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1wfh s PRO 9 Cb -0.03 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 1wfh s PRO 9 CO -0.01 -0.50 -0.20 0.45 0.04 0.00 0.00 177.00 176.77 1wfh s SER 10 N 1.50 2.37 0.90 6.66 0.15 -1.26 -5.14 113.70 118.88 1wfh s SER 10 Ca 0.64 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.74 1wfh s SER 10 Cb -0.34 -0.23 0.13 0.00 -1.71 0.00 0.00 66.02 63.87 1wfh s SER 10 CO 0.29 0.20 1.09 -2.16 1.20 0.00 0.00 173.24 173.86 1wfh s PRO 11 N -0.81 1.23 0.10 5.44 0.04 -1.26 -4.98 135.00 134.76 1wfh s PRO 11 Ca 0.07 0.81 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1wfh s PRO 11 Cb -0.08 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1wfh s PRO 11 CO 0.00 -2.26 1.37 -1.25 0.04 0.00 0.00 177.00 174.91 1wfh s PRO 12 N -4.94 4.33 -0.05 0.56 0.04 -1.26 -4.90 135.00 128.78 1wfh s PRO 12 Ca 0.63 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.67 1wfh s PRO 12 Cb -0.18 -3.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 1wfh s PRO 12 CO 0.57 -0.43 2.91 1.04 0.04 0.00 0.00 177.00 181.13 1wfh n GLN 13 N 4.09 1.66 -3.46 4.56 3.00 -1.26 -4.67 117.38 121.29 1wfh n GLN 13 Ca 0.11 -0.77 -0.18 0.00 -0.01 0.00 0.00 57.00 56.16 1wfh n GLN 13 Cb 0.43 -1.63 0.07 0.00 0.00 0.00 0.00 30.24 29.11 1wfh n GLN 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1wfh n ARG 14 N 1.92 -5.33 -2.04 -1.09 5.12 -1.26 -4.87 116.66 109.12 1wfh n ARG 14 Ca 0.27 0.79 -0.35 0.00 -1.93 0.00 0.00 57.85 56.63 1wfh n ARG 14 Cb 0.73 -5.66 -0.04 0.00 -1.16 0.00 0.00 32.46 26.33 1wfh n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wfh s PRO 15 N -5.34 2.61 -0.24 5.56 0.04 -1.26 -4.95 135.00 131.42 1wfh s PRO 15 Ca 0.10 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1wfh s PRO 15 Cb -0.02 -4.56 0.04 0.00 0.04 0.00 0.00 34.50 30.00 1wfh s PRO 15 CO 0.75 -2.90 -0.11 -0.80 0.04 0.00 0.00 177.00 173.99 1wfh s ASN 16 N 8.09 4.08 -0.14 6.66 0.01 -1.26 -5.10 114.94 127.28 1wfh s ASN 16 Ca 0.68 -1.00 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1wfh s ASN 16 Cb -0.11 -1.58 0.01 0.00 0.41 0.00 0.00 41.25 39.98 1wfh s ASN 16 CO 0.15 -0.12 -0.21 -0.13 -1.51 0.00 0.00 177.10 175.28 1wfh s ARG 17 N 1.24 2.93 0.97 -0.60 0.52 -1.26 -1.27 118.95 121.48 1wfh s ARG 17 Ca -0.02 -0.82 -0.16 0.00 -0.52 0.00 0.00 55.73 54.21 1wfh s ARG 17 Cb -0.17 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.81 1wfh s ARG 17 CO -0.07 -0.02 -0.51 0.00 0.02 0.00 0.00 175.30 174.72 1wfh n THR 19 N -2.69 0.19 -0.03 0.00 -1.04 -0.56 -2.85 114.28 107.30 1wfh n THR 19 Ca 0.00 -0.60 -0.05 0.00 -2.04 0.00 0.00 64.05 61.36 1wfh n THR 19 Cb 0.55 1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 70.27 1wfh n THR 19 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1wfh n VAL 20 N 1.16 0.34 -0.43 12.58 0.31 -1.26 -4.82 118.33 126.21 1wfh n VAL 20 Ca 0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1wfh n VAL 20 Cb 0.51 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1wfh n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfh n ARG 22 N -0.08 -1.10 -0.80 0.00 3.00 -1.13 -4.79 116.66 111.75 1wfh n ARG 22 Ca 0.00 0.18 -0.13 0.00 -0.01 0.00 0.00 57.85 57.89 1wfh n ARG 22 Cb 0.18 -3.40 0.03 0.00 0.00 0.00 0.00 32.46 29.27 1wfh n ARG 22 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1wfh n LYS 23 N -4.69 1.62 -3.74 5.56 2.85 -1.26 -4.55 118.16 113.93 1wfh n LYS 23 Ca -0.22 -1.20 -0.28 0.00 -1.05 0.00 0.00 58.31 55.57 1wfh n LYS 23 Cb 0.63 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.48 1wfh n LYS 23 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfh n ARG 24 N 0.62 -0.86 -1.64 -1.58 1.74 -1.26 -4.62 116.66 109.07 1wfh n ARG 24 Ca 0.23 0.09 -0.63 0.00 -0.77 0.00 0.00 57.85 56.76 1wfh n ARG 24 Cb 0.56 -3.07 -0.10 0.00 -1.02 0.00 0.00 32.46 28.83 1wfh n ARG 24 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1wfh n VAL 25 N -3.28 0.08 0.00 1.55 0.24 -0.40 -4.78 118.33 111.75 1wfh n VAL 25 Ca -0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1wfh n VAL 25 Cb 0.40 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1wfh n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfh n GLY 26 N 4.78 -0.02 0.18 7.63 0.00 -1.26 -4.35 105.19 112.14 1wfh n GLY 26 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 1wfh n GLY 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wfh h LEU 27 N 0.00 0.78 -3.94 0.99 5.85 -1.99 -3.26 115.31 113.74 1wfh h LEU 27 Ca 0.00 -0.64 -0.63 0.00 0.84 0.00 0.00 57.88 57.46 1wfh h LEU 27 Cb 0.00 -0.24 -0.27 0.00 0.37 0.00 0.00 40.66 40.52 1wfh h LEU 27 CO 0.00 1.44 0.81 0.35 -0.34 0.00 0.00 178.44 180.70 1wfh n THR 28 N -3.81 3.50 -3.15 1.05 -2.24 -1.26 -4.91 114.28 103.47 1wfh n THR 28 Ca -0.10 -2.77 -0.44 0.00 -2.27 0.00 0.00 64.05 58.47 1wfh n THR 28 Cb 0.88 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 1wfh n THR 28 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wfh s GLY 29 N -1.49 1.79 -0.29 3.38 0.00 -1.23 -3.11 107.32 106.36 1wfh s GLY 29 Ca 0.59 -1.99 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1wfh s GLY 29 CO -0.02 1.50 0.50 -1.36 0.00 0.00 0.00 173.10 173.72 1wfh s PHE 30 N 2.61 3.24 -0.69 1.90 0.40 -0.56 -4.90 117.98 119.98 1wfh s PHE 30 Ca 0.13 0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 56.73 1wfh s PHE 30 Cb -0.22 -2.77 0.09 0.00 0.51 0.00 0.00 43.02 40.63 1wfh s PHE 30 CO 0.09 -0.35 0.94 1.41 0.70 0.00 0.00 175.22 178.01 1wfh s MET 31 N 2.32 3.17 1.08 0.44 1.75 -1.26 -0.66 119.30 126.14 1wfh s MET 31 Ca 0.20 -1.07 -0.18 0.00 -1.25 0.00 0.00 55.69 53.39 1wfh s MET 31 Cb -0.16 -4.34 0.11 0.00 2.84 0.00 0.00 34.83 33.29 1wfh s MET 31 CO 0.10 -1.76 0.02 0.00 -0.65 0.00 0.00 175.02 172.73 1wfh h ARG 33 N -2.27 0.67 -1.07 0.00 0.11 -1.96 -3.23 114.38 106.63 1wfh h ARG 33 Ca -0.41 -0.79 0.30 0.00 0.10 0.00 0.00 59.98 59.17 1wfh h ARG 33 Cb 1.14 0.24 -0.07 0.00 1.11 0.00 0.00 29.97 32.39 1wfh h ARG 33 CO 0.28 1.35 0.74 0.00 0.10 0.00 0.00 179.97 182.44 1wfh n GLY 35 N -1.63 1.56 3.32 0.00 0.00 -1.22 -5.12 105.19 102.10 1wfh n GLY 35 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1wfh n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wfh s THR 36 N -2.00 0.97 -0.14 2.61 -4.23 -1.26 -4.99 115.64 106.60 1wfh s THR 36 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1wfh s THR 36 Cb 0.00 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1wfh s THR 36 CO 0.00 -0.32 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.68 1wfh s THR 37 N -3.47 2.37 0.48 3.99 2.01 -1.26 0.26 115.64 120.02 1wfh s THR 37 Ca 0.29 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1wfh s THR 37 Cb 0.06 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1wfh s THR 37 CO 0.09 0.53 0.03 -0.36 -0.69 0.00 0.00 174.62 174.22 1wfh s PHE 38 N 0.75 1.88 0.68 4.92 0.08 0.17 -1.50 117.98 124.95 1wfh s PHE 38 Ca -0.08 -1.02 0.02 0.00 0.12 0.00 0.00 56.93 55.97 1wfh s PHE 38 Cb -0.16 -1.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.90 1wfh s PHE 38 CO 0.00 0.11 0.93 0.00 -0.10 0.00 0.00 175.22 176.16 1wfh h GLY 40 N -0.32 0.00 0.46 0.00 0.00 -1.96 0.76 103.07 102.01 1wfh h GLY 40 Ca -0.35 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.73 1wfh h GLY 40 CO 0.40 0.00 -1.95 -1.26 0.00 0.00 0.00 176.54 173.74 1wfh n SER 41 N -3.19 0.41 -0.90 0.19 2.88 -1.26 -4.23 113.62 107.51 1wfh n SER 41 Ca -0.02 0.19 0.05 0.00 -1.33 0.00 0.00 58.87 57.76 1wfh n SER 41 Cb 0.13 0.68 0.24 0.00 -0.75 0.00 0.00 64.21 64.51 1wfh n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wfh n HIS 42 N -2.79 0.92 0.13 0.66 -0.00 -0.79 -4.59 115.22 108.76 1wfh n HIS 42 Ca -0.20 -1.06 -0.01 0.00 -0.00 0.00 0.00 57.72 56.44 1wfh n HIS 42 Cb 0.98 -0.35 0.22 0.00 -0.00 0.00 0.00 29.99 30.84 1wfh n HIS 42 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wfh h ARG 43 N 1.46 0.10 -7.04 -0.41 0.11 0.34 -3.39 114.38 105.56 1wfh h ARG 43 Ca 0.06 -0.06 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 1wfh h ARG 43 Cb 1.48 0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.65 1wfh h ARG 43 CO 0.25 0.59 0.49 0.71 0.10 0.00 0.00 179.97 182.11 1wfh s TYR 44 N -3.91 2.65 0.10 4.08 2.02 -1.26 -4.83 117.35 116.20 1wfh s TYR 44 Ca -0.03 1.51 -0.15 0.00 -0.37 0.00 0.00 57.07 58.03 1wfh s TYR 44 Cb 0.13 -3.45 -0.08 0.00 -0.40 0.00 0.00 41.96 38.16 1wfh s TYR 44 CO 0.76 -1.88 1.42 -1.00 -1.57 0.00 0.00 175.55 173.28 1wfh h PRO 45 N 1.59 0.72 -0.79 -1.71 0.13 -1.96 -3.13 132.00 126.85 1wfh h PRO 45 Ca -0.50 -0.38 0.09 0.00 -0.87 0.00 0.00 66.00 64.34 1wfh h PRO 45 Cb 1.27 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1wfh h PRO 45 CO 0.58 0.99 0.52 1.05 -0.23 0.00 0.00 178.00 180.91 1wfh h GLU 46 N 0.46 0.73 0.18 0.86 4.11 -1.94 0.34 114.58 119.32 1wfh h GLU 46 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wfh h GLU 46 Cb 0.86 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1wfh h GLU 46 CO 0.07 0.48 -0.15 0.28 0.07 0.00 0.00 179.01 179.76 1wfh h VAL 47 N 0.75 0.67 -0.96 -1.06 2.07 -1.90 -2.66 116.25 113.17 1wfh h VAL 47 Ca 0.36 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 67.32 1wfh h VAL 47 Cb 0.41 0.67 -0.29 0.00 -1.52 0.00 0.00 31.29 30.55 1wfh h VAL 47 CO -0.14 0.00 0.71 0.00 0.02 0.00 0.00 177.57 178.17 1wfh n HIS 48 N -5.27 3.01 -3.72 1.57 1.44 -0.91 -4.94 115.22 106.41 1wfh n HIS 48 Ca -0.08 -2.22 -0.25 0.00 -2.01 0.00 0.00 57.72 53.15 1wfh n HIS 48 Cb 0.19 -1.11 0.01 0.00 0.12 0.00 0.00 29.99 29.20 1wfh n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wfh n GLY 49 N -0.99 -0.69 3.73 -1.39 0.00 -0.05 -4.59 105.19 101.21 1wfh n GLY 49 Ca 0.59 0.30 -0.65 0.00 0.00 0.00 0.00 46.02 46.26 1wfh n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfh n THR 51 N 4.05 1.65 -2.94 0.00 -2.24 -1.26 -4.92 114.28 108.62 1wfh n THR 51 Ca 0.29 -1.71 -0.38 0.00 -2.27 0.00 0.00 64.05 59.99 1wfh n THR 51 Cb -0.00 -2.15 -0.06 0.00 -2.10 0.00 0.00 70.33 66.01 1wfh n THR 51 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1wfh s PHE 52 N 11.80 3.80 -0.42 4.78 5.36 -1.26 -4.98 117.98 137.06 1wfh s PHE 52 Ca 0.70 1.64 0.04 0.00 -0.96 0.00 0.00 56.93 58.35 1wfh s PHE 52 Cb -0.01 -2.79 0.46 0.00 -0.34 0.00 0.00 43.02 40.34 1wfh s PHE 52 CO 0.14 0.39 1.49 -0.25 -1.46 0.00 0.00 175.22 175.53 1wfh n ASP 53 N 1.10 5.72 -3.36 6.13 8.00 -1.26 -4.95 116.55 127.93 1wfh n ASP 53 Ca -0.03 -3.77 -0.14 0.00 0.71 0.00 0.00 54.79 51.57 1wfh n ASP 53 Cb 0.49 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1wfh n ASP 53 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wfh n PHE 54 N -0.80 -0.52 -2.57 1.24 3.01 -1.26 -4.86 117.46 111.69 1wfh n PHE 54 Ca 0.50 0.21 -0.23 0.00 1.01 0.00 0.00 57.45 58.94 1wfh n PHE 54 Cb 0.87 -1.15 0.07 0.00 -0.01 0.00 0.00 39.48 39.27 1wfh n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wfh s LYS 55 N -5.02 2.11 0.54 -1.08 1.02 -1.26 -5.11 119.74 110.94 1wfh s LYS 55 Ca 0.04 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.20 1wfh s LYS 55 Cb -0.02 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1wfh s LYS 55 CO 0.41 -1.10 0.75 -1.12 -0.92 0.00 0.00 175.35 173.37 1wfh s SER 56 N -4.58 5.20 -0.14 2.83 0.01 -1.26 -5.08 113.70 110.68 1wfh s SER 56 Ca 0.62 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 1wfh s SER 56 Cb -0.08 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1wfh s SER 56 CO 0.42 -1.19 -0.29 0.00 0.41 0.00 0.00 173.24 172.59 1wfh n ALA 57 N -2.25 0.88 -2.50 1.44 0.00 -1.26 -4.79 120.51 112.04 1wfh n ALA 57 Ca 0.11 -0.71 -0.25 0.00 0.00 0.00 0.00 53.44 52.59 1wfh n ALA 57 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1wfh n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfh n GLY 58 N 1.57 5.52 3.15 0.00 0.00 -1.26 -5.09 105.19 109.09 1wfh n GLY 58 Ca -0.12 -2.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.04 1wfh n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfh n SER 59 N -0.44 -2.88 -3.20 1.61 3.41 -1.26 -4.97 113.62 105.89 1wfh n SER 59 Ca 0.36 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1wfh n SER 59 Cb 0.68 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1wfh n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfh n GLY 60 N 2.19 -3.19 0.00 5.00 0.00 -1.26 -4.75 105.19 103.18 1wfh n GLY 60 Ca 0.05 -1.06 0.03 0.00 0.00 0.00 0.00 46.02 45.04 1wfh n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfh n PRO 61 N -1.27 0.49 -0.78 1.61 -0.04 -1.26 -4.84 135.00 128.91 1wfh n PRO 61 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1wfh n PRO 61 Cb 0.00 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1wfh n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfh n SER 62 N -0.71 -0.19 -4.68 3.54 2.88 -1.26 -4.76 113.62 108.43 1wfh n SER 62 Ca 0.05 -0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1wfh n SER 62 Cb 0.02 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 1wfh n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfh s SER 63 N 2.91 6.93 0.00 -3.46 0.01 -1.26 -5.14 113.70 113.69 1wfh s SER 63 Ca 0.70 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1wfh s SER 63 Cb -0.57 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.10 1wfh s SER 63 CO 0.27 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.85