#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv6 s PRO 2 N 0.00 2.53 0.00 0.00 0.02 -1.26 -4.96 135.00 131.32 2wv6 s PRO 2 Ca 0.00 1.50 0.12 0.00 0.02 0.00 0.00 61.00 62.63 2wv6 s PRO 2 Cb 0.00 -1.91 0.30 0.00 0.02 0.00 0.00 34.50 32.91 2wv6 s PRO 2 CO 0.00 -1.48 1.21 0.00 -0.33 0.00 0.00 177.00 176.40 2wv6 n GLN 3 N -2.60 2.50 -4.03 5.54 10.64 -1.26 -4.88 117.38 123.28 2wv6 n GLN 3 Ca 0.11 -1.96 -0.08 0.00 -1.83 0.00 0.00 57.00 53.25 2wv6 n GLN 3 Cb 0.51 -1.28 -0.10 0.00 -0.86 0.00 0.00 30.24 28.51 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2wv6 s ASN 4 N -1.00 0.36 0.41 2.61 2.20 -1.26 -5.05 114.94 113.21 2wv6 s ASN 4 Ca 0.24 -0.76 0.08 0.00 -0.94 0.00 0.00 52.86 51.48 2wv6 s ASN 4 Cb 0.13 0.16 0.87 0.00 -2.00 0.00 0.00 41.25 40.41 2wv6 s ASN 4 CO 0.17 -0.47 2.04 -0.29 -2.94 0.00 0.00 177.10 175.62 2wv6 h ILE 5 N 3.83 1.07 -0.37 0.54 2.10 -1.95 -1.96 117.51 120.76 2wv6 h ILE 5 Ca -0.33 -0.19 -0.03 0.00 1.08 0.00 0.00 64.86 65.39 2wv6 h ILE 5 Cb 1.17 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.36 2wv6 h ILE 5 CO 0.54 0.10 0.11 0.74 -1.08 0.00 0.00 178.15 178.56 2wv6 h THR 6 N 0.55 1.21 -0.27 2.19 2.02 -2.00 -0.22 112.91 116.40 2wv6 h THR 6 Ca 0.18 -0.71 -0.17 0.00 0.77 0.00 0.00 66.41 66.48 2wv6 h THR 6 Cb 0.05 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2wv6 h THR 6 CO -0.04 0.24 -0.50 -0.33 0.37 0.00 0.00 175.52 175.26 2wv6 h GLU 7 N 0.44 0.82 -0.81 6.66 5.08 -1.94 -2.94 114.58 121.91 2wv6 h GLU 7 Ca 0.12 -0.52 0.12 0.00 -1.00 0.00 0.00 59.36 58.08 2wv6 h GLU 7 Cb 0.27 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 2wv6 h GLU 7 CO -0.00 1.15 0.42 -0.07 -1.00 0.00 0.00 179.01 179.51 2wv6 h LEU 8 N 0.59 0.53 -0.81 1.33 3.38 -1.26 -2.74 115.31 116.33 2wv6 h LEU 8 Ca 0.01 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2wv6 h LEU 8 Cb 1.11 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2wv6 h LEU 8 CO 0.11 0.26 0.15 0.00 0.09 0.00 0.00 178.44 179.05 2wv6 n SER 10 N -4.24 0.36 0.21 0.00 3.41 -1.04 -1.62 113.62 110.70 2wv6 n SER 10 Ca 0.05 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 2wv6 n SER 10 Cb 0.26 -0.67 0.20 0.00 -0.26 0.00 0.00 64.21 63.73 2wv6 n SER 10 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wv6 h GLU 11 N 0.00 0.00 -7.06 4.33 5.08 -1.29 -3.46 114.58 112.18 2wv6 h GLU 11 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 2wv6 h GLU 11 Cb 0.24 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.55 2wv6 h GLU 11 CO 0.00 0.12 0.10 0.71 -1.00 0.00 0.00 179.01 178.95 2wv6 s TYR 12 N -3.22 2.96 -0.11 4.33 1.51 -0.64 -5.09 117.35 117.10 2wv6 s TYR 12 Ca 0.05 0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 56.29 2wv6 s TYR 12 Cb 0.06 -2.91 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 2wv6 s TYR 12 CO 0.67 -1.06 0.25 -1.58 -1.11 0.00 0.00 175.55 172.72 2wv6 s HIS 13 N -2.99 3.57 -1.31 2.71 5.65 -1.26 -4.54 115.29 117.12 2wv6 s HIS 13 Ca 0.57 0.65 -0.05 0.00 0.25 0.00 0.00 55.06 56.48 2wv6 s HIS 13 Cb -0.11 -2.17 0.01 0.00 -1.18 0.00 0.00 32.58 29.14 2wv6 s HIS 13 CO 0.42 0.53 1.06 0.09 -0.65 0.00 0.00 174.74 176.19 2wv6 n ASN 14 N 2.55 -4.24 -4.61 9.88 4.13 -1.26 -4.88 115.26 116.82 2wv6 n ASN 14 Ca -0.16 -0.61 -0.25 0.00 1.68 0.00 0.00 54.58 55.24 2wv6 n ASN 14 Cb 0.53 -4.90 -0.09 0.00 -1.54 0.00 0.00 39.78 33.78 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2wv6 s THR 15 N -3.36 2.56 0.12 3.41 -4.23 -1.26 -0.25 115.64 112.64 2wv6 s THR 15 Ca 0.33 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.68 2wv6 s THR 15 Cb -0.15 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.95 2wv6 s THR 15 CO 0.75 -0.20 0.35 0.00 -0.54 0.00 0.00 174.62 174.97 2wv6 s GLN 16 N -3.69 1.04 -0.06 3.99 -2.07 0.39 -4.89 119.66 114.36 2wv6 s GLN 16 Ca 0.34 -0.81 -0.14 0.00 -1.82 0.00 0.00 55.36 52.93 2wv6 s GLN 16 Cb 0.00 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 2wv6 s GLN 16 CO 0.19 -0.39 0.36 0.42 -1.32 0.00 0.00 175.29 174.54 2wv6 s ILE 17 N -3.83 5.17 -0.13 3.63 -1.09 -1.26 -0.89 121.20 122.80 2wv6 s ILE 17 Ca 0.05 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 2wv6 s ILE 17 Cb 0.03 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2wv6 s ILE 17 CO -0.10 0.51 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.61 2wv6 s TYR 18 N -0.52 2.69 -0.26 3.97 1.51 -0.03 -4.99 117.35 119.71 2wv6 s TYR 18 Ca 0.21 -1.04 -0.16 0.00 -1.01 0.00 0.00 57.07 55.07 2wv6 s TYR 18 Cb -0.15 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2wv6 s TYR 18 CO 0.10 -0.44 0.42 -2.00 -1.11 0.00 0.00 175.55 172.52 2wv6 s GLU 19 N 0.58 4.04 -0.10 -0.62 2.12 -1.26 -1.00 118.70 122.46 2wv6 s GLU 19 Ca -0.11 0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.30 2wv6 s GLU 19 Cb -0.16 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 2wv6 s GLU 19 CO 0.03 -0.30 -0.16 1.28 -0.54 0.00 0.00 175.26 175.58 2wv6 n LEU 20 N 5.38 1.04 -3.87 2.70 4.77 0.66 -5.00 117.00 122.68 2wv6 n LEU 20 Ca -0.07 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2wv6 n LEU 20 Cb 0.50 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2wv6 n LEU 20 CO 0.38 0.03 -0.13 0.59 -1.33 0.00 0.00 177.39 176.94 2wv6 n ASN 21 N -3.66 -1.20 -3.92 -1.43 3.02 0.31 -4.98 115.26 103.40 2wv6 n ASN 21 Ca -0.19 -0.92 -0.09 0.00 -0.03 0.00 0.00 54.58 53.35 2wv6 n ASN 21 Cb 0.55 -3.48 -0.09 0.00 -0.61 0.00 0.00 39.78 36.14 2wv6 n ASN 21 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wv6 s LYS 22 N -6.37 0.60 0.60 3.52 1.02 -0.85 -4.89 119.74 113.37 2wv6 s LYS 22 Ca 0.11 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 2wv6 s LYS 22 Cb -0.06 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 2wv6 s LYS 22 CO 0.86 -0.15 1.02 -1.83 -0.92 0.00 0.00 175.35 174.32 2wv6 s GLU 23 N -2.62 3.67 0.08 1.68 -1.05 -1.26 -0.60 118.70 118.60 2wv6 s GLU 23 Ca -0.05 0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 55.26 2wv6 s GLU 23 Cb -0.01 -2.09 -0.06 0.00 -0.44 0.00 0.00 34.13 31.53 2wv6 s GLU 23 CO -0.05 -0.50 1.15 0.42 0.95 0.00 0.00 175.26 177.23 2wv6 s ILE 24 N -3.06 4.08 -0.07 1.83 1.01 -1.26 -4.64 121.20 119.09 2wv6 s ILE 24 Ca 0.56 1.56 -0.07 0.00 0.00 0.00 0.00 60.65 62.69 2wv6 s ILE 24 Cb -0.11 -4.00 -0.28 0.00 0.01 0.00 0.00 42.46 38.08 2wv6 s ILE 24 CO 0.49 0.16 0.56 0.50 0.00 0.00 0.00 174.94 176.65 2wv6 h LYS 25 N 6.39 0.31 -4.21 2.79 3.64 -0.84 -3.47 116.57 121.18 2wv6 h LYS 25 Ca -0.42 -0.53 -0.29 0.00 -1.27 0.00 0.00 60.65 58.14 2wv6 h LYS 25 Cb 1.21 0.20 -0.27 0.00 -0.41 0.00 0.00 32.23 32.97 2wv6 h LYS 25 CO 0.78 1.22 -0.74 0.95 -2.27 0.00 0.00 179.45 179.39 2wv6 s THR 26 N -2.58 0.33 -0.09 1.00 -4.23 -0.75 -4.98 115.64 104.33 2wv6 s THR 26 Ca -0.17 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 2wv6 s THR 26 Cb 0.06 -0.31 0.01 0.00 1.34 0.00 0.00 72.50 73.60 2wv6 s THR 26 CO 0.82 -0.02 -0.14 -0.47 -0.54 0.00 0.00 174.62 174.26 2wv6 s TYR 27 N -0.38 1.81 -0.03 3.99 5.04 -1.26 -1.18 117.35 125.35 2wv6 s TYR 27 Ca -0.01 -0.79 0.03 0.00 -2.44 0.00 0.00 57.07 53.85 2wv6 s TYR 27 Cb -0.03 -1.31 -0.00 0.00 0.35 0.00 0.00 41.96 40.96 2wv6 s TYR 27 CO -0.00 -0.41 -0.12 0.99 -1.34 0.00 0.00 175.55 174.67 2wv6 s THR 28 N 0.90 0.99 0.01 4.34 2.01 0.05 -5.01 115.64 118.93 2wv6 s THR 28 Ca -0.09 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2wv6 s THR 28 Cb -0.15 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 2wv6 s THR 28 CO 0.00 0.29 -0.05 -1.83 -0.69 0.00 0.00 174.62 172.35 2wv6 s GLU 29 N 0.04 0.37 0.01 4.92 -1.05 -1.26 -0.80 118.70 120.93 2wv6 s GLU 29 Ca -0.01 -0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 54.40 2wv6 s GLU 29 Cb -0.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.36 2wv6 s GLU 29 CO 0.01 0.05 0.03 -1.54 0.95 0.00 0.00 175.26 174.76 2wv6 s SER 30 N -0.73 0.13 0.20 0.83 1.04 -0.79 -4.98 113.70 109.40 2wv6 s SER 30 Ca -0.04 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 2wv6 s SER 30 Cb -0.05 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 66.11 2wv6 s SER 30 CO -0.00 -0.26 1.17 -0.76 0.98 0.00 0.00 173.24 174.37 2wv6 s LEU 31 N -1.12 4.47 0.19 2.42 1.43 -1.26 -1.44 118.68 123.36 2wv6 s LEU 31 Ca -0.12 2.24 -0.09 0.00 -1.03 0.00 0.00 54.13 55.13 2wv6 s LEU 31 Cb -0.07 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 2wv6 s LEU 31 CO -0.00 -0.32 0.31 0.00 0.23 0.00 0.00 176.35 176.57 2wv6 s ALA 32 N -0.30 0.12 0.22 4.21 0.00 -1.26 -4.85 121.76 119.90 2wv6 s ALA 32 Ca 0.51 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2wv6 s ALA 32 Cb -0.32 0.99 -0.10 0.00 0.00 0.00 0.00 23.12 23.68 2wv6 s ALA 32 CO 0.38 -0.69 1.53 0.20 0.00 0.00 0.00 175.76 177.18 2wv6 s GLY 33 N -3.01 1.94 0.00 0.00 0.00 -1.26 -3.76 107.32 101.24 2wv6 s GLY 33 Ca 0.22 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.34 2wv6 s GLY 33 CO 0.04 2.49 0.00 -1.72 0.00 0.00 0.00 173.10 173.91 2wv6 n TYR 34 N 2.99 0.00 -3.60 1.90 4.01 -1.26 -4.82 117.16 116.38 2wv6 n TYR 34 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 2wv6 n TYR 34 Cb 0.39 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 2wv6 n TYR 34 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2wv6 s ARG 35 N 0.00 0.91 0.51 -0.72 1.70 -1.25 -4.99 118.95 115.11 2wv6 s ARG 35 Ca 0.00 0.40 -0.20 0.00 -0.47 0.00 0.00 55.73 55.46 2wv6 s ARG 35 Cb 0.00 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 2wv6 s ARG 35 CO 0.00 -0.23 1.09 -1.21 -1.08 0.00 0.00 175.30 173.86 2wv6 s GLU 36 N -0.71 3.61 0.22 3.89 2.02 -1.26 -4.02 118.70 122.44 2wv6 s GLU 36 Ca -0.08 1.50 -0.30 0.00 0.02 0.00 0.00 54.97 56.12 2wv6 s GLU 36 Cb -0.02 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.04 2wv6 s GLU 36 CO 0.06 -0.62 1.06 -1.64 0.02 0.00 0.00 175.26 174.15 2wv6 s MET 37 N -3.20 4.67 -0.08 1.61 -1.94 -0.52 -4.92 119.30 114.91 2wv6 s MET 37 Ca 0.69 1.69 -0.00 0.00 -1.71 0.00 0.00 55.69 56.36 2wv6 s MET 37 Cb -0.21 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.40 2wv6 s MET 37 CO 0.24 0.21 -0.04 0.08 -0.01 0.00 0.00 175.02 175.50 2wv6 s VAL 38 N -0.71 0.69 -0.04 -6.03 1.01 -1.26 -1.88 120.40 112.17 2wv6 s VAL 38 Ca 0.46 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2wv6 s VAL 38 Cb -0.29 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2wv6 s VAL 38 CO 0.36 0.30 -0.13 -0.63 0.00 0.00 0.00 175.10 175.01 2wv6 s ILE 39 N 1.65 1.10 0.15 2.22 1.01 0.02 -1.28 121.20 126.07 2wv6 s ILE 39 Ca 0.02 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2wv6 s ILE 39 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2wv6 s ILE 39 CO -0.05 0.33 -0.23 0.27 0.00 0.00 0.00 174.94 175.26 2wv6 s ILE 40 N 0.30 2.11 0.05 2.92 -4.36 -0.25 -0.77 121.20 121.19 2wv6 s ILE 40 Ca -0.07 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 2wv6 s ILE 40 Cb -0.12 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 2wv6 s ILE 40 CO 0.02 -0.08 -0.04 -0.94 0.24 0.00 0.00 174.94 174.14 2wv6 s SER 41 N -2.34 0.57 0.35 4.36 1.04 -0.32 -0.77 113.70 116.60 2wv6 s SER 41 Ca 0.15 -0.76 0.08 0.00 0.48 0.00 0.00 55.95 55.90 2wv6 s SER 41 Cb -0.09 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2wv6 s SER 41 CO 0.07 -0.41 0.22 -0.36 0.98 0.00 0.00 173.24 173.74 2wv6 s PHE 42 N -2.61 2.77 0.48 5.02 0.40 -0.54 -0.12 117.98 123.38 2wv6 s PHE 42 Ca -0.03 -0.38 0.41 0.00 -0.60 0.00 0.00 56.93 56.33 2wv6 s PHE 42 Cb -0.02 -1.77 2.11 0.00 0.51 0.00 0.00 43.02 43.85 2wv6 s PHE 42 CO -0.04 0.22 2.25 0.00 0.70 0.00 0.00 175.22 178.35 2wv6 h ALA 43 N 1.38 1.00 -0.17 5.36 0.00 -1.90 -1.56 119.26 123.37 2wv6 h ALA 43 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wv6 h ALA 43 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wv6 h ALA 43 CO 0.61 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.13 2wv6 n ASN 44 N -3.04 1.12 0.00 0.00 6.94 -1.26 -4.91 115.26 114.11 2wv6 n ASN 44 Ca -0.02 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 2wv6 n ASN 44 Cb 0.13 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2wv6 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wv6 n GLY 45 N 0.68 2.71 3.70 4.83 0.00 -0.59 -5.03 105.19 111.50 2wv6 n GLY 45 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2wv6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv6 s ALA 46 N -2.11 3.75 -0.05 4.61 0.00 -1.25 -4.77 121.76 121.94 2wv6 s ALA 46 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2wv6 s ALA 46 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2wv6 s ALA 46 CO 0.00 -0.96 -0.14 0.99 0.00 0.00 0.00 175.76 175.66 2wv6 s THR 47 N 1.87 1.18 0.03 0.00 2.01 -1.26 -1.47 115.64 118.00 2wv6 s THR 47 Ca 0.73 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 2wv6 s THR 47 Cb -0.43 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2wv6 s THR 47 CO 0.32 0.35 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.22 2wv6 s PHE 48 N 0.27 0.35 0.14 4.92 0.08 0.06 -3.29 117.98 120.52 2wv6 s PHE 48 Ca -0.07 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.34 2wv6 s PHE 48 Cb -0.12 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 2wv6 s PHE 48 CO 0.02 -0.27 -0.17 1.14 -0.10 0.00 0.00 175.22 175.84 2wv6 s GLN 49 N -2.39 1.18 -0.53 0.44 -2.07 0.08 -1.09 119.66 115.28 2wv6 s GLN 49 Ca -0.07 -1.33 -0.20 0.00 -1.82 0.00 0.00 55.36 51.94 2wv6 s GLN 49 Cb -0.03 -1.21 0.07 0.00 -1.09 0.00 0.00 33.01 30.74 2wv6 s GLN 49 CO -0.04 0.25 0.68 0.08 -1.32 0.00 0.00 175.29 174.94 2wv6 s VAL 50 N -1.97 4.80 -0.27 3.63 1.01 -0.41 -0.92 120.40 126.27 2wv6 s VAL 50 Ca 0.13 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2wv6 s VAL 50 Cb -0.06 -4.38 0.07 0.00 0.00 0.00 0.00 36.38 32.02 2wv6 s VAL 50 CO 0.05 -0.93 0.71 -0.70 0.00 0.00 0.00 175.10 174.23 2wv6 s GLU 51 N 2.82 0.79 0.06 2.72 2.12 -1.26 -4.45 118.70 121.49 2wv6 s GLU 51 Ca 0.16 1.09 -0.23 0.00 0.36 0.00 0.00 54.97 56.35 2wv6 s GLU 51 Cb -0.20 0.30 -0.06 0.00 0.26 0.00 0.00 34.13 34.43 2wv6 s GLU 51 CO 0.11 -0.12 0.70 0.08 -0.54 0.00 0.00 175.26 175.49 2wv6 s VAL 52 N 0.89 4.71 0.40 3.70 1.01 -1.26 -4.39 120.40 125.45 2wv6 s VAL 52 Ca -0.04 1.50 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 2wv6 s VAL 52 Cb -0.05 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 2wv6 s VAL 52 CO -0.08 0.43 1.42 -2.65 0.00 0.00 0.00 175.10 174.22 2wv6 n PRO 53 N 2.43 2.37 -2.40 2.72 -0.02 -1.26 -1.99 135.00 136.85 2wv6 n PRO 53 Ca -0.05 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.19 2wv6 n PRO 53 Cb 0.50 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.42 2wv6 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wv6 n GLY 54 N 0.58 0.21 0.36 -1.23 0.00 -1.26 -4.94 105.19 98.91 2wv6 n GLY 54 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2wv6 n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2wv6 h SER 55 N -0.33 0.91 0.48 1.61 0.87 -1.81 -2.38 113.55 112.89 2wv6 h SER 55 Ca -0.18 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 2wv6 h SER 55 Cb 1.12 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2wv6 h SER 55 CO 0.19 0.64 -0.29 1.56 -0.53 0.00 0.00 176.83 178.40 2wv6 h GLN 56 N 1.06 0.00 -5.06 2.24 7.50 -1.92 -3.44 115.11 115.49 2wv6 h GLN 56 Ca 0.32 0.00 -0.71 0.00 0.50 0.00 0.00 58.65 58.76 2wv6 h GLN 56 Cb -0.04 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.33 2wv6 h GLN 56 CO -0.08 0.29 1.34 -1.01 -1.50 0.00 0.00 178.83 177.87 2wv6 s HIS 57 N -4.07 3.24 -0.20 2.96 3.76 -0.90 -4.93 115.29 115.14 2wv6 s HIS 57 Ca -0.02 -1.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.00 2wv6 s HIS 57 Cb 0.13 -4.39 -0.05 0.00 1.11 0.00 0.00 32.58 29.38 2wv6 s HIS 57 CO 0.68 -1.51 0.15 -2.00 -0.85 0.00 0.00 174.74 171.21 2wv6 s GLU 59 N 2.45 4.17 0.50 1.40 2.56 -1.26 -5.17 118.70 123.35 2wv6 s GLU 59 Ca 0.42 -0.19 0.17 0.00 0.00 0.00 0.00 54.97 55.36 2wv6 s GLU 59 Cb -0.02 -3.44 1.21 0.00 2.00 0.00 0.00 34.13 33.87 2wv6 s GLU 59 CO -0.02 0.25 2.08 0.77 -0.56 0.00 0.00 175.26 177.77 2wv6 h SER 60 N 6.84 0.12 0.05 -1.70 0.02 -1.93 -0.25 113.55 116.69 2wv6 h SER 60 Ca -0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2wv6 h SER 60 Cb 1.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2wv6 h SER 60 CO 0.74 0.08 -0.16 0.00 -1.14 0.00 0.00 176.83 176.35 2wv6 n GLN 61 N -4.48 1.51 -3.20 3.45 6.02 -1.26 -4.83 117.38 114.59 2wv6 n GLN 61 Ca 0.03 -1.06 -0.39 0.00 -0.01 0.00 0.00 57.00 55.56 2wv6 n GLN 61 Cb 0.25 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 2wv6 n GLN 61 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2wv6 s LYS 62 N -2.22 4.21 -0.52 -1.09 1.02 -0.11 -5.00 119.74 116.02 2wv6 s LYS 62 Ca 0.28 0.50 0.06 0.00 0.02 0.00 0.00 55.97 56.84 2wv6 s LYS 62 Cb 0.20 -3.56 0.22 0.00 -0.52 0.00 0.00 37.83 34.17 2wv6 s LYS 62 CO 0.42 -0.17 0.55 0.54 -0.92 0.00 0.00 175.35 175.78 2wv6 n ARG 63 N 4.83 1.37 0.09 1.68 1.74 -1.26 -4.79 116.66 120.31 2wv6 n ARG 63 Ca -0.03 -3.87 0.13 0.00 -0.77 0.00 0.00 57.85 53.30 2wv6 n ARG 63 Cb 0.50 -1.80 0.63 0.00 -1.02 0.00 0.00 32.46 30.77 2wv6 n ARG 63 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2wv6 h PRO 64 N 4.58 0.09 -0.49 5.56 0.11 -1.97 -2.42 132.00 137.46 2wv6 h PRO 64 Ca 0.16 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 2wv6 h PRO 64 Cb 0.80 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.81 2wv6 h PRO 64 CO 0.60 0.06 0.10 1.28 -0.21 0.00 0.00 178.00 179.83 2wv6 n LEU 65 N -4.46 4.94 -0.13 2.35 4.77 -1.26 -4.54 117.00 118.67 2wv6 n LEU 65 Ca 0.04 -3.26 -0.02 0.00 -0.03 0.00 0.00 56.01 52.75 2wv6 n LEU 65 Cb 0.33 -0.65 0.22 0.00 -2.33 0.00 0.00 43.42 40.98 2wv6 n LEU 65 CO 0.35 0.85 1.02 1.05 -1.33 0.00 0.00 177.39 179.33 2wv6 h GLU 66 N 2.07 0.82 -0.31 3.23 4.11 -1.87 -1.82 114.58 120.81 2wv6 h GLU 66 Ca 0.16 -0.14 0.04 0.00 0.07 0.00 0.00 59.36 59.49 2wv6 h GLU 66 Cb 1.89 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.96 2wv6 h GLU 66 CO 0.49 0.70 0.07 -0.09 0.07 0.00 0.00 179.01 180.25 2wv6 h ARG 67 N 0.80 0.18 -0.88 1.06 2.43 -1.83 -2.19 114.38 113.95 2wv6 h ARG 67 Ca 0.19 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2wv6 h ARG 67 Cb 0.21 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2wv6 h ARG 67 CO -0.01 0.12 0.53 1.98 -1.51 0.00 0.00 179.97 181.08 2wv6 h MET 68 N 0.18 1.20 -0.54 0.20 4.05 -1.71 0.12 114.93 118.43 2wv6 h MET 68 Ca 0.15 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2wv6 h MET 68 Cb 0.15 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 2wv6 h MET 68 CO -0.19 0.84 0.33 0.87 0.23 0.00 0.00 176.91 178.99 2wv6 h LYS 69 N 1.22 0.73 -0.58 0.39 1.57 -1.09 0.01 116.57 118.83 2wv6 h LYS 69 Ca 0.32 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2wv6 h LYS 69 Cb -0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2wv6 h LYS 69 CO -0.06 0.52 0.27 -0.44 -0.57 0.00 0.00 179.45 179.17 2wv6 h ASP 70 N 0.73 0.77 -0.29 0.86 3.32 -0.73 -2.05 116.42 119.03 2wv6 h ASP 70 Ca 0.20 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2wv6 h ASP 70 Cb -0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2wv6 h ASP 70 CO -0.04 0.69 0.16 0.74 -1.72 0.00 0.00 179.24 179.07 2wv6 h THR 71 N 0.79 1.13 -0.42 0.35 2.02 -0.63 -0.80 112.91 115.35 2wv6 h THR 71 Ca 0.20 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 2wv6 h THR 71 Cb 0.14 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2wv6 h THR 71 CO -0.02 0.13 -0.30 -0.07 0.37 0.00 0.00 175.52 175.62 2wv6 h LEU 72 N 0.35 0.97 -0.28 2.58 3.38 -0.97 -0.72 115.31 120.62 2wv6 h LEU 72 Ca 0.10 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2wv6 h LEU 72 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2wv6 h LEU 72 CO -0.02 1.19 0.08 -0.09 0.09 0.00 0.00 178.44 179.69 2wv6 h ARG 73 N 0.78 0.19 -0.73 1.13 2.43 -1.28 -0.37 114.38 116.54 2wv6 h ARG 73 Ca 0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2wv6 h ARG 73 Cb 0.87 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2wv6 h ARG 73 CO 0.08 0.13 0.32 0.00 -1.51 0.00 0.00 179.97 178.99 2wv6 h ALA 74 N 1.19 1.18 -0.45 2.80 0.00 -0.87 -1.36 119.26 121.74 2wv6 h ALA 74 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wv6 h ALA 74 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wv6 h ALA 74 CO -0.14 0.61 0.20 0.00 0.00 0.00 0.00 179.25 179.91 2wv6 h ALA 75 N 1.29 0.59 0.12 0.00 0.00 -0.84 -0.43 119.26 119.99 2wv6 h ALA 75 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wv6 h ALA 75 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wv6 h ALA 75 CO -0.03 0.18 -0.21 -0.92 0.00 0.00 0.00 179.25 178.27 2wv6 h TYR 76 N 0.59 -0.54 -0.30 0.00 3.20 -0.75 -0.60 116.97 118.57 2wv6 h TYR 76 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2wv6 h TYR 76 Cb 0.16 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2wv6 h TYR 76 CO -0.00 -0.30 0.14 0.74 -1.64 0.00 0.00 178.16 177.10 2wv6 h PHE 77 N -0.40 0.39 0.00 -3.82 0.04 -0.97 -3.07 116.94 109.11 2wv6 h PHE 77 Ca 0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2wv6 h PHE 77 Cb 0.41 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2wv6 h PHE 77 CO -0.19 0.30 -0.91 0.25 -0.60 0.00 0.00 178.31 177.15 2wv6 n THR 78 N -4.44 0.02 -1.32 -1.55 -2.24 -0.20 -4.97 114.28 99.59 2wv6 n THR 78 Ca 0.01 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 2wv6 n THR 78 Cb 0.11 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 2wv6 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wv6 n GLY 79 N 1.47 1.23 3.77 3.38 0.00 -0.27 -5.00 105.19 109.77 2wv6 n GLY 79 Ca 0.04 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2wv6 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wv6 s ILE 80 N -2.40 2.67 0.14 -0.61 1.09 -0.98 -4.76 121.20 116.34 2wv6 s ILE 80 Ca 0.00 0.65 -0.30 0.00 -1.10 0.00 0.00 60.65 59.90 2wv6 s ILE 80 Cb 0.00 -3.41 -0.07 0.00 -1.06 0.00 0.00 42.46 37.92 2wv6 s ILE 80 CO 0.00 0.15 1.06 -0.54 -0.10 0.00 0.00 174.94 175.50 2wv6 s LYS 81 N -1.58 4.62 -0.21 2.79 1.02 -1.26 -4.51 119.74 120.61 2wv6 s LYS 81 Ca 0.51 1.62 -0.20 0.00 0.02 0.00 0.00 55.97 57.92 2wv6 s LYS 81 Cb -0.40 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2wv6 s LYS 81 CO 0.52 0.09 0.60 0.08 -0.92 0.00 0.00 175.35 175.73 2wv6 s VAL 82 N -0.01 5.03 -0.09 3.17 1.01 0.23 -3.89 120.40 125.85 2wv6 s VAL 82 Ca 0.49 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 2wv6 s VAL 82 Cb -0.27 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2wv6 s VAL 82 CO 0.32 0.10 0.08 -1.28 0.00 0.00 0.00 175.10 174.33 2wv6 h SER 83 N 7.60 -0.06 -4.95 3.32 0.87 -1.04 0.11 113.55 119.41 2wv6 h SER 83 Ca -0.31 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.07 2wv6 h SER 83 Cb 1.14 0.01 -0.21 0.00 -0.44 0.00 0.00 62.40 62.91 2wv6 h SER 83 CO 0.76 0.44 -0.70 -0.54 -0.53 0.00 0.00 176.83 176.26 2wv6 s LYS 84 N -1.78 0.35 -0.02 2.24 1.02 -1.08 -0.24 119.74 120.22 2wv6 s LYS 84 Ca -0.01 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.39 2wv6 s LYS 84 Cb 0.00 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 2wv6 s LYS 84 CO 0.03 -0.04 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.75 2wv6 s LEU 85 N -1.50 2.00 -0.26 3.17 1.43 -0.17 -0.84 118.68 122.50 2wv6 s LEU 85 Ca -0.15 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2wv6 s LEU 85 Cb -0.10 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2wv6 s LEU 85 CO -0.01 0.20 0.20 0.00 0.23 0.00 0.00 176.35 176.97 2wv6 s VAL 87 N 1.53 1.20 0.12 0.00 -7.23 -0.07 -0.12 120.40 115.84 2wv6 s VAL 87 Ca 0.08 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 2wv6 s VAL 87 Cb -0.15 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.52 2wv6 s VAL 87 CO 0.09 -0.25 0.93 0.26 -0.31 0.00 0.00 175.10 175.81 2wv6 s TRP 88 N -1.44 3.83 0.71 2.82 0.51 0.40 -0.46 118.94 125.31 2wv6 s TRP 88 Ca 0.01 1.76 -0.11 0.00 -2.12 0.00 0.00 56.10 55.64 2wv6 s TRP 88 Cb -0.09 -3.00 0.02 0.00 -0.81 0.00 0.00 33.47 29.58 2wv6 s TRP 88 CO 0.03 0.26 1.10 -0.80 -0.51 0.00 0.00 176.95 177.02 2wv6 s ASN 89 N -0.18 5.42 0.00 2.95 0.02 0.65 -4.04 114.94 119.76 2wv6 s ASN 89 Ca 0.45 1.11 0.00 0.00 -1.02 0.00 0.00 52.86 53.40 2wv6 s ASN 89 Cb -0.23 -1.90 0.00 0.00 0.02 0.00 0.00 41.25 39.14 2wv6 s ASN 89 CO 0.29 -1.36 0.00 0.59 0.02 0.00 0.00 177.10 176.64 2wv6 n ASN 90 N -3.01 -1.04 -3.82 -1.22 3.02 -1.26 -4.99 115.26 102.94 2wv6 n ASN 90 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 2wv6 n ASN 90 Cb 0.57 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.43 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wv6 s LYS 91 N -0.17 0.06 0.11 3.52 2.20 -1.26 -5.15 119.74 119.05 2wv6 s LYS 91 Ca 0.00 0.16 0.09 0.00 -0.36 0.00 0.00 55.97 55.86 2wv6 s LYS 91 Cb 0.00 -0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 2wv6 s LYS 91 CO 0.00 -0.06 -0.21 0.95 -0.36 0.00 0.00 175.35 175.67 2wv6 s THR 92 N 0.41 2.66 0.46 3.43 -4.23 -1.26 -3.10 115.64 114.01 2wv6 s THR 92 Ca -0.03 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 2wv6 s THR 92 Cb -0.04 -2.19 -0.07 0.00 1.34 0.00 0.00 72.50 71.53 2wv6 s THR 92 CO -0.01 0.15 1.28 -2.16 -0.54 0.00 0.00 174.62 173.33 2wv6 s PRO 93 N -1.97 3.69 0.31 3.99 0.04 -1.26 -5.06 135.00 134.74 2wv6 s PRO 93 Ca 0.16 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 2wv6 s PRO 93 Cb -0.10 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 2wv6 s PRO 93 CO 0.08 -0.70 1.37 -0.80 0.04 0.00 0.00 177.00 176.99 2wv6 s ASN 94 N -0.96 6.69 0.19 6.66 -0.87 -1.18 -4.18 114.94 121.29 2wv6 s ASN 94 Ca 0.63 2.72 -0.30 0.00 -1.57 0.00 0.00 52.86 54.33 2wv6 s ASN 94 Cb -0.36 -2.64 -0.08 0.00 -0.02 0.00 0.00 41.25 38.15 2wv6 s ASN 94 CO 0.45 -0.62 1.19 -0.44 -2.57 0.00 0.00 177.10 175.11 2wv6 s SER 95 N -0.18 7.09 -0.15 -1.22 0.01 -1.26 -0.75 113.70 117.26 2wv6 s SER 95 Ca 0.53 2.23 -0.19 0.00 1.31 0.00 0.00 55.95 59.82 2wv6 s SER 95 Cb -0.41 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.18 2wv6 s SER 95 CO 0.51 -0.36 0.54 -0.63 0.41 0.00 0.00 173.24 173.71 2wv6 s ILE 96 N -0.08 5.12 -0.16 1.44 1.01 -0.10 -0.45 121.20 127.99 2wv6 s ILE 96 Ca 0.53 1.06 0.09 0.00 0.00 0.00 0.00 60.65 62.32 2wv6 s ILE 96 Cb -0.32 -3.87 -0.23 0.00 0.01 0.00 0.00 42.46 38.04 2wv6 s ILE 96 CO 0.37 0.24 0.21 0.00 0.00 0.00 0.00 174.94 175.76 2wv6 n ALA 97 N 4.23 1.37 -3.41 9.38 0.00 0.83 -4.59 120.51 128.32 2wv6 n ALA 97 Ca -0.05 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 2wv6 n ALA 97 Cb 0.51 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 2wv6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wv6 s ALA 98 N -2.54 -1.50 0.03 0.00 0.00 -1.03 -4.98 121.76 111.73 2wv6 s ALA 98 Ca -0.16 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2wv6 s ALA 98 Cb 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 2wv6 s ALA 98 CO 0.77 -0.43 -0.11 0.96 0.00 0.00 0.00 175.76 176.95 2wv6 s ILE 99 N -1.79 0.83 -0.09 0.00 -4.36 -1.26 -0.97 121.20 113.56 2wv6 s ILE 99 Ca -0.09 -0.81 0.04 0.00 -0.26 0.00 0.00 60.65 59.54 2wv6 s ILE 99 Cb -0.01 -0.76 -0.00 0.00 1.25 0.00 0.00 42.46 42.94 2wv6 s ILE 99 CO 0.04 -0.03 -0.24 -0.70 0.24 0.00 0.00 174.94 174.25 2wv6 s GLU 100 N -0.94 2.99 -0.14 0.37 2.12 -0.02 -5.00 118.70 118.07 2wv6 s GLU 100 Ca -0.01 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 2wv6 s GLU 100 Cb -0.07 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 2wv6 s GLU 100 CO 0.01 0.21 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.37 2wv6 s LEU 101 N 0.28 3.20 -0.08 2.70 1.43 -1.26 -0.58 118.68 124.35 2wv6 s LEU 101 Ca -0.17 -0.13 -0.32 0.00 -1.03 0.00 0.00 54.13 52.48 2wv6 s LEU 101 Cb -0.17 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.41 2wv6 s LEU 101 CO 0.08 0.19 1.06 -0.55 0.23 0.00 0.00 176.35 177.36 2wv6 s SER 102 N 0.23 -0.24 0.00 2.29 0.15 -1.25 -4.90 113.70 109.98 2wv6 s SER 102 Ca -0.03 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2wv6 s SER 102 Cb -0.14 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2wv6 s SER 102 CO 0.03 -0.44 0.00 -0.46 1.20 0.00 0.00 173.24 173.57