#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 s SER 2 N 0.00 -0.20 -0.11 1.61 1.04 -1.26 -5.19 113.70 109.59 1wi2 s SER 2 Ca 0.00 -0.27 -0.33 0.00 0.48 0.00 0.00 55.95 55.83 1wi2 s SER 2 Cb 0.00 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1wi2 s SER 2 CO 0.00 -0.75 1.18 -0.55 0.98 0.00 0.00 173.24 174.10 1wi2 s SER 3 N -2.83 -0.15 0.00 7.02 0.15 -1.26 -5.19 113.70 111.45 1wi2 s SER 3 Ca 0.11 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wi2 s SER 3 Cb -0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wi2 s SER 3 CO -0.01 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1wi2 n GLY 4 N -0.22 4.69 3.56 9.45 0.00 -1.26 -5.18 105.19 116.22 1wi2 n GLY 4 Ca -0.03 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1wi2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi2 s SER 5 N -0.53 -0.32 0.37 1.61 0.15 -1.26 -5.17 113.70 108.56 1wi2 s SER 5 Ca 0.00 0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 1wi2 s SER 5 Cb 0.00 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1wi2 s SER 5 CO 0.00 -0.42 0.69 -0.55 1.20 0.00 0.00 173.24 174.17 1wi2 s SER 6 N -1.76 6.45 0.05 5.45 0.15 -1.26 -5.10 113.70 117.69 1wi2 s SER 6 Ca 0.03 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wi2 s SER 6 Cb -0.01 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wi2 s SER 6 CO -0.03 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wi2 n GLY 7 N -1.33 4.07 3.78 9.45 0.00 -1.26 -5.14 105.19 114.77 1wi2 n GLY 7 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wi2 s ASN 8 N -1.30 4.43 0.02 1.61 3.84 -1.26 -5.02 114.94 117.26 1wi2 s ASN 8 Ca 0.00 1.47 -0.03 0.00 0.21 0.00 0.00 52.86 54.51 1wi2 s ASN 8 Cb -0.00 -2.22 -0.01 0.00 -0.55 0.00 0.00 41.25 38.47 1wi2 s ASN 8 CO 0.00 -2.03 -0.06 0.59 -2.79 0.00 0.00 177.10 172.81 1wi2 n ASN 9 N -3.49 1.00 -3.15 -4.21 3.02 -1.26 -5.07 115.26 102.10 1wi2 n ASN 9 Ca 0.07 0.14 0.05 0.00 -0.03 0.00 0.00 54.58 54.82 1wi2 n ASN 9 Cb 0.55 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1wi2 n ASN 9 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wi2 s GLU 10 N -1.93 0.27 -0.40 3.52 2.02 -1.26 -5.08 118.70 115.85 1wi2 s GLU 10 Ca -0.05 0.39 0.09 0.00 0.02 0.00 0.00 54.97 55.41 1wi2 s GLU 10 Cb 0.01 0.21 0.27 0.00 0.10 0.00 0.00 34.13 34.72 1wi2 s GLU 10 CO 0.08 -0.38 0.64 1.28 0.02 0.00 0.00 175.26 176.90 1wi2 n LEU 11 N 5.36 -0.16 -4.54 1.80 4.77 -1.26 -5.09 117.00 117.88 1wi2 n LEU 11 Ca -0.00 -4.56 -0.40 0.00 -0.03 0.00 0.00 56.01 51.02 1wi2 n LEU 11 Cb 0.55 0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 42.23 1wi2 n LEU 11 CO -0.10 2.11 -0.10 0.28 -1.33 0.00 0.00 177.39 178.25 1wi2 s THR 12 N -1.18 5.27 0.00 -5.08 -1.32 -1.26 -4.75 115.64 107.32 1wi2 s THR 12 Ca 0.35 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 1wi2 s THR 12 Cb 0.22 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1wi2 s THR 12 CO -0.12 0.03 0.00 0.00 -2.21 0.00 0.00 174.62 172.32 1wi2 n GLN 13 N 5.14 0.00 -0.79 7.08 0.00 -1.26 -4.99 117.38 122.57 1wi2 n GLN 13 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 56.84 1wi2 n GLN 13 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 30.24 30.55 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1wi2 n PHE 14 N -1.92 0.00 -2.95 2.61 1.16 -1.26 -5.14 117.46 109.95 1wi2 n PHE 14 Ca 0.00 -0.30 -0.36 0.00 -1.87 0.00 0.00 57.45 54.92 1wi2 n PHE 14 Cb 0.00 0.40 -0.06 0.00 -1.61 0.00 0.00 39.48 38.21 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1wi2 s LEU 15 N 0.00 4.31 0.15 5.98 0.05 -1.26 -5.03 118.68 122.88 1wi2 s LEU 15 Ca 0.00 1.60 -0.30 0.00 0.05 0.00 0.00 54.13 55.48 1wi2 s LEU 15 Cb 0.00 -3.84 -0.07 0.00 -2.05 0.00 0.00 46.19 40.23 1wi2 s LEU 15 CO 0.00 -0.04 1.13 -2.16 -0.55 0.00 0.00 176.35 174.73 1wi2 s PRO 16 N -2.12 4.55 0.52 1.48 0.04 -1.26 -4.92 135.00 133.28 1wi2 s PRO 16 Ca 0.48 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1wi2 s PRO 16 Cb -0.17 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1wi2 s PRO 16 CO 0.21 -0.01 0.76 -0.98 0.04 0.00 0.00 177.00 177.02 1wi2 s ARG 17 N -0.05 2.79 -0.13 4.56 1.70 -0.03 -4.92 118.95 122.88 1wi2 s ARG 17 Ca 0.52 -0.53 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 1wi2 s ARG 17 Cb -0.30 -2.48 0.01 0.00 -0.57 0.00 0.00 34.95 31.62 1wi2 s ARG 17 CO 0.34 -0.55 -0.22 0.42 -1.08 0.00 0.00 175.30 174.21 1wi2 s ILE 18 N -2.73 2.04 -0.50 4.99 -1.09 -1.26 -2.03 121.20 120.62 1wi2 s ILE 18 Ca 0.53 -0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1wi2 s ILE 18 Cb -0.10 -1.80 0.13 0.00 -1.58 0.00 0.00 42.46 39.11 1wi2 s ILE 18 CO 0.39 0.55 0.31 -0.69 -1.23 0.00 0.00 174.94 174.27 1wi2 s VAL 19 N 0.73 3.53 -0.08 2.92 1.01 -1.05 -5.02 120.40 122.44 1wi2 s VAL 19 Ca -0.09 -2.40 -0.14 0.00 0.00 0.00 0.00 61.98 59.35 1wi2 s VAL 19 Cb -0.16 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1wi2 s VAL 19 CO 0.00 -0.77 0.34 -0.89 0.00 0.00 0.00 175.10 173.78 1wi2 s THR 20 N 0.67 5.21 0.20 3.92 2.01 -1.26 -3.59 115.64 122.80 1wi2 s THR 20 Ca 0.12 0.67 0.08 0.00 0.31 0.00 0.00 61.69 62.86 1wi2 s THR 20 Cb -0.22 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1wi2 s THR 20 CO -0.04 0.49 0.02 -0.76 -0.69 0.00 0.00 174.62 173.64 1wi2 s LEU 21 N -0.35 3.34 -0.00 4.42 1.02 -0.41 -4.88 118.68 121.81 1wi2 s LEU 21 Ca 0.20 -0.43 0.15 0.00 0.02 0.00 0.00 54.13 54.08 1wi2 s LEU 21 Cb -0.15 -1.95 -0.18 0.00 0.02 0.00 0.00 46.19 43.93 1wi2 s LEU 21 CO 0.09 0.06 0.61 1.17 0.02 0.00 0.00 176.35 178.29 1wi2 n LYS 22 N -0.37 1.65 -1.34 1.70 4.81 -1.26 -3.92 118.16 119.43 1wi2 n LYS 22 Ca -0.09 -0.02 -0.52 0.00 -0.87 0.00 0.00 58.31 56.81 1wi2 n LYS 22 Cb 0.56 -1.26 -0.07 0.00 0.02 0.00 0.00 35.03 34.29 1wi2 n LYS 22 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1wi2 n LYS 23 N -1.48 0.00 -1.57 1.64 -0.00 -1.26 -4.88 118.16 110.61 1wi2 n LYS 23 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.02 1wi2 n LYS 23 Cb 0.27 -1.31 0.05 0.00 -0.00 0.00 0.00 35.03 34.04 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wi2 s PRO 24 N -0.07 2.91 -0.87 -1.58 0.04 -1.26 -4.76 135.00 129.41 1wi2 s PRO 24 Ca 0.80 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 1wi2 s PRO 24 Cb -1.11 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 31.33 1wi2 s PRO 24 CO 0.51 -1.11 2.58 -0.35 0.04 0.00 0.00 177.00 178.67 1wi2 n PRO 25 N -3.14 2.42 0.00 0.56 -0.04 -1.26 -2.80 135.00 130.74 1wi2 n PRO 25 Ca 0.07 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1wi2 n PRO 25 Cb 0.54 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1wi2 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wi2 n GLY 26 N 3.38 0.00 3.24 0.55 0.00 -1.26 -5.04 105.19 106.06 1wi2 n GLY 26 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 s ALA 27 N 0.00 1.19 -0.17 4.61 0.00 -1.12 -5.11 121.76 121.16 1wi2 s ALA 27 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.96 1wi2 s ALA 27 Cb 0.00 1.38 -0.03 0.00 0.00 0.00 0.00 23.12 24.47 1wi2 s ALA 27 CO 0.00 -0.62 1.63 -0.65 0.00 0.00 0.00 175.76 176.12 1wi2 s GLN 28 N -4.03 3.89 0.14 0.00 -0.21 -1.26 -4.89 119.66 113.30 1wi2 s GLN 28 Ca 0.38 1.81 -0.27 0.00 0.02 0.00 0.00 55.36 57.30 1wi2 s GLN 28 Cb 0.06 -4.02 -0.06 0.00 1.00 0.00 0.00 33.01 29.98 1wi2 s GLN 28 CO 0.14 -1.18 1.47 1.25 -2.12 0.00 0.00 175.29 174.86 1wi2 h LEU 29 N 11.33 -1.89 0.00 2.90 5.85 -1.99 -3.46 115.31 128.05 1wi2 h LEU 29 Ca -0.35 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wi2 h LEU 29 Cb 1.16 0.83 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1wi2 h LEU 29 CO 0.99 -0.21 0.00 0.61 -0.34 0.00 0.00 178.44 179.49 1wi2 n GLY 30 N -1.22 1.05 3.46 3.75 0.00 -1.26 -4.64 105.19 106.33 1wi2 n GLY 30 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1wi2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wi2 s PHE 31 N -2.00 -0.48 0.08 1.61 -0.71 -1.26 0.19 117.98 115.41 1wi2 s PHE 31 Ca 0.00 0.35 0.07 0.00 -1.04 0.00 0.00 56.93 56.31 1wi2 s PHE 31 Cb 0.00 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1wi2 s PHE 31 CO 0.00 -0.72 -0.15 -0.80 -1.34 0.00 0.00 175.22 172.22 1wi2 s ASN 32 N -2.51 4.07 0.11 1.98 0.01 0.59 -4.92 114.94 114.27 1wi2 s ASN 32 Ca 0.02 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 51.80 1wi2 s ASN 32 Cb -0.01 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 1wi2 s ASN 32 CO -0.10 0.21 -0.07 0.27 -1.51 0.00 0.00 177.10 175.90 1wi2 s ILE 33 N -1.08 3.53 0.25 0.60 -5.25 -1.26 0.18 121.20 118.17 1wi2 s ILE 33 Ca 0.18 -1.23 -0.11 0.00 -0.99 0.00 0.00 60.65 58.50 1wi2 s ILE 33 Cb -0.11 -2.67 -0.01 0.00 2.95 0.00 0.00 42.46 42.63 1wi2 s ILE 33 CO 0.09 0.09 0.45 0.00 -1.79 0.00 0.00 174.94 173.78 1wi2 s ARG 34 N -2.30 1.56 0.00 0.37 1.70 -0.15 -4.68 118.95 115.44 1wi2 s ARG 34 Ca 0.23 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1wi2 s ARG 34 Cb -0.11 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1wi2 s ARG 34 CO 0.15 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 1wi2 n GLY 35 N -0.39 -2.67 0.00 3.88 0.00 -1.26 0.13 105.19 104.88 1wi2 n GLY 35 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1wi2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi2 n GLY 36 N -0.06 0.24 1.09 -0.02 0.00 -1.02 -4.62 105.19 100.80 1wi2 n GLY 36 Ca 0.00 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.76 1wi2 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wi2 n LYS 37 N 0.00 -2.35 0.00 1.61 4.81 -1.26 -4.17 118.16 116.80 1wi2 n LYS 37 Ca 0.00 1.74 0.00 0.00 -0.87 0.00 0.00 58.31 59.18 1wi2 n LYS 37 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.25 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wi2 n ALA 38 N -3.06 0.00 -0.77 3.14 0.00 -1.26 -4.51 120.51 114.06 1wi2 n ALA 38 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wi2 n ALA 38 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1wi2 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wi2 n SER 39 N 0.00 0.00 0.00 0.00 2.88 -1.26 -4.19 113.62 111.05 1wi2 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wi2 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 n GLN 40 N 0.00 0.00 0.00 -1.46 10.64 -1.26 -5.14 117.38 120.16 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1wi2 n LEU 41 N -1.32 0.00 0.00 2.61 7.94 -1.26 -4.71 117.00 120.26 1wi2 n LEU 41 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1wi2 n LEU 41 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1wi2 n LEU 41 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1wi2 n GLY 42 N 0.00 -2.54 3.77 -3.96 0.00 -1.26 -4.86 105.19 96.34 1wi2 n GLY 42 Ca 0.00 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1wi2 n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wi2 s ILE 43 N -2.20 4.47 0.01 -0.61 -1.09 -1.25 -2.43 121.20 118.09 1wi2 s ILE 43 Ca 0.00 1.64 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1wi2 s ILE 43 Cb 0.00 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1wi2 s ILE 43 CO 0.00 0.50 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.82 1wi2 s PHE 44 N -0.96 0.23 -0.85 3.97 0.40 0.12 -0.38 117.98 120.52 1wi2 s PHE 44 Ca 0.35 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.18 1wi2 s PHE 44 Cb -0.22 -0.15 -0.11 0.00 0.51 0.00 0.00 43.02 43.05 1wi2 s PHE 44 CO 0.25 -0.07 2.23 0.42 0.70 0.00 0.00 175.22 178.75 1wi2 s ILE 45 N -0.66 3.17 0.10 0.64 -1.09 -1.15 -0.98 121.20 121.23 1wi2 s ILE 45 Ca -0.06 -0.15 -0.28 0.00 -2.23 0.00 0.00 60.65 57.93 1wi2 s ILE 45 Cb -0.05 -3.42 -0.10 0.00 -1.58 0.00 0.00 42.46 37.31 1wi2 s ILE 45 CO -0.00 -0.35 1.46 -1.28 -1.23 0.00 0.00 174.94 173.53 1wi2 h SER 46 N 12.11 -1.48 -5.26 3.58 0.87 0.16 -3.20 113.55 120.33 1wi2 h SER 46 Ca 0.04 0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1wi2 h SER 46 Cb 1.00 0.59 -0.14 0.00 -0.44 0.00 0.00 62.40 63.41 1wi2 h SER 46 CO 1.08 -0.38 -0.47 -0.75 -0.53 0.00 0.00 176.83 175.78 1wi2 s LYS 47 N -5.22 0.91 -0.06 2.24 2.20 -1.02 -4.81 119.74 113.98 1wi2 s LYS 47 Ca -0.12 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 1wi2 s LYS 47 Cb 0.06 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 1wi2 s LYS 47 CO 0.51 -0.28 -0.03 0.08 -0.36 0.00 0.00 175.35 175.27 1wi2 s VAL 48 N -3.94 0.49 0.07 4.02 1.01 -1.26 -0.30 120.40 120.48 1wi2 s VAL 48 Ca 0.13 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1wi2 s VAL 48 Cb 0.06 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 1wi2 s VAL 48 CO -0.05 0.24 1.59 -0.63 0.00 0.00 0.00 175.10 176.25 1wi2 s ILE 49 N 1.32 3.12 -0.62 2.22 -1.09 0.51 -4.85 121.20 121.81 1wi2 s ILE 49 Ca -0.05 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1wi2 s ILE 49 Cb -0.13 -3.39 -0.13 0.00 -1.58 0.00 0.00 42.46 37.22 1wi2 s ILE 49 CO -0.02 0.01 2.66 -0.81 -1.23 0.00 0.00 174.94 175.54 1wi2 n PRO 50 N 5.29 2.15 0.00 2.79 -0.04 -1.26 -2.69 135.00 141.24 1wi2 n PRO 50 Ca 0.15 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1wi2 n PRO 50 Cb 0.41 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1wi2 n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wi2 n ASP 51 N 3.29 0.00 -1.39 3.54 5.75 -1.26 -5.12 116.55 121.35 1wi2 n ASP 51 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 1wi2 n ASP 51 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1wi2 n SER 52 N 0.00 1.19 0.10 -1.12 3.41 -1.10 -5.04 113.62 111.06 1wi2 n SER 52 Ca 0.00 -0.87 -0.17 0.00 -0.26 0.00 0.00 58.87 57.56 1wi2 n SER 52 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1wi2 n SER 52 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1wi2 h ASP 53 N 0.00 0.47 -0.61 4.04 3.32 -1.89 -3.24 116.42 118.51 1wi2 h ASP 53 Ca 0.00 -0.54 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 1wi2 h ASP 53 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1wi2 h ASP 53 CO 0.00 1.43 0.11 0.00 -1.72 0.00 0.00 179.24 179.07 1wi2 h ALA 54 N 0.49 1.00 -0.75 3.45 0.00 -1.88 1.47 119.26 123.04 1wi2 h ALA 54 Ca -0.19 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1wi2 h ALA 54 Cb 2.01 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 1wi2 h ALA 54 CO 0.20 0.64 0.41 1.25 0.00 0.00 0.00 179.25 181.75 1wi2 h HIS 55 N 0.97 0.75 0.18 0.00 -0.00 -1.76 0.96 115.15 116.26 1wi2 h HIS 55 Ca 0.20 0.03 -0.30 0.00 -0.00 0.00 0.00 60.37 60.29 1wi2 h HIS 55 Cb 0.41 -0.23 0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1wi2 h HIS 55 CO 0.03 0.32 -1.43 0.00 -0.00 0.00 0.00 177.93 176.85 1wi2 h ARG 56 N 0.72 0.39 -1.36 5.26 -0.00 -1.47 -3.30 114.38 114.62 1wi2 h ARG 56 Ca 0.35 -0.66 0.41 0.00 -0.50 0.00 0.00 59.98 59.59 1wi2 h ARG 56 Cb 0.30 0.25 -0.10 0.00 0.00 0.00 0.00 29.97 30.42 1wi2 h ARG 56 CO -0.23 1.32 0.92 0.00 0.00 0.00 0.00 179.97 181.97 1wi2 h ALA 57 N 0.08 2.91 0.00 0.04 0.00 0.24 -3.43 119.26 119.11 1wi2 h ALA 57 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wi2 h ALA 57 Cb 1.96 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1wi2 h ALA 57 CO 0.17 -1.44 0.00 0.41 0.00 0.00 0.00 179.25 178.40 1wi2 n GLY 58 N -1.63 1.82 3.75 0.00 0.00 -0.71 -4.93 105.19 103.50 1wi2 n GLY 58 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 1wi2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi2 s LEU 59 N 0.00 4.59 0.01 0.99 1.43 0.25 -5.05 118.68 120.91 1wi2 s LEU 59 Ca 0.00 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 1wi2 s LEU 59 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1wi2 s LEU 59 CO 0.00 0.01 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 1wi2 s GLN 60 N -1.12 0.73 -0.44 1.70 -2.07 -1.26 -4.69 119.66 112.50 1wi2 s GLN 60 Ca 0.43 -0.51 -0.26 0.00 -1.82 0.00 0.00 55.36 53.20 1wi2 s GLN 60 Cb -0.28 -0.68 -0.07 0.00 -1.09 0.00 0.00 33.01 30.89 1wi2 s GLN 60 CO 0.35 0.17 2.37 -1.21 -1.32 0.00 0.00 175.29 175.66 1wi2 s GLU 61 N -0.70 2.28 0.00 9.60 2.02 -1.26 -2.58 118.70 128.06 1wi2 s GLU 61 Ca 0.01 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1wi2 s GLU 61 Cb -0.06 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.63 1wi2 s GLU 61 CO 0.00 -3.07 0.00 0.41 0.02 0.00 0.00 175.26 172.62 1wi2 n GLY 62 N 5.96 0.91 3.14 -1.39 0.00 -1.21 -4.76 105.19 107.84 1wi2 n GLY 62 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1wi2 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi2 s ASP 63 N -1.79 5.06 0.15 1.61 1.01 -1.07 -4.58 116.67 117.06 1wi2 s ASP 63 Ca 0.00 -1.66 -0.31 0.00 0.71 0.00 0.00 52.55 51.29 1wi2 s ASP 63 Cb 0.00 -1.76 -0.10 0.00 1.01 0.00 0.00 42.92 42.07 1wi2 s ASP 63 CO 0.00 -0.39 1.53 -1.58 0.21 0.00 0.00 175.17 174.94 1wi2 s GLN 64 N 1.18 4.24 -0.58 8.23 0.74 -1.26 -2.91 119.66 129.30 1wi2 s GLN 64 Ca 0.02 2.30 -0.18 0.00 0.05 0.00 0.00 55.36 57.55 1wi2 s GLN 64 Cb -0.21 -3.19 0.11 0.00 1.10 0.00 0.00 33.01 30.82 1wi2 s GLN 64 CO -0.03 -0.58 0.66 0.08 -0.55 0.00 0.00 175.29 174.88 1wi2 s VAL 65 N 1.19 4.90 0.04 1.34 1.01 0.49 -3.43 120.40 125.94 1wi2 s VAL 65 Ca 0.69 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1wi2 s VAL 65 Cb -0.42 -4.45 -0.11 0.00 0.00 0.00 0.00 36.38 31.40 1wi2 s VAL 65 CO 0.31 -1.07 1.32 -0.07 0.00 0.00 0.00 175.10 175.59 1wi2 h LEU 66 N 9.75 -0.74 -8.45 3.92 3.38 -0.62 -3.38 115.31 119.17 1wi2 h LEU 66 Ca -0.30 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.51 1wi2 h LEU 66 Cb 1.09 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 1wi2 h LEU 66 CO 1.08 -0.41 -0.68 0.00 0.09 0.00 0.00 178.44 178.52 1wi2 s ALA 67 N -4.70 0.97 -0.25 1.53 0.00 -1.25 -1.84 121.76 116.22 1wi2 s ALA 67 Ca -0.10 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 1wi2 s ALA 67 Cb 0.02 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1wi2 s ALA 67 CO 0.34 -0.31 0.07 0.08 0.00 0.00 0.00 175.76 175.94 1wi2 s VAL 68 N -3.73 0.57 -1.20 0.00 1.01 0.41 0.10 120.40 117.56 1wi2 s VAL 68 Ca 0.15 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1wi2 s VAL 68 Cb 0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1wi2 s VAL 68 CO -0.03 -0.44 0.88 0.59 0.00 0.00 0.00 175.10 176.10 1wi2 n ASN 69 N 5.00 -2.84 0.00 3.32 3.02 -1.16 -2.15 115.26 120.45 1wi2 n ASN 69 Ca -0.06 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1wi2 n ASN 69 Cb 0.45 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 1wi2 n ASN 69 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wi2 n ASP 70 N -3.10 0.00 -4.67 6.41 -0.08 -1.26 -4.93 116.55 108.92 1wi2 n ASP 70 Ca -0.24 0.00 -0.48 0.00 -1.51 0.00 0.00 54.79 52.56 1wi2 n ASP 70 Cb 0.66 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.07 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wi2 n VAL 71 N 0.00 0.24 -2.50 5.18 0.31 -0.91 -4.92 118.33 115.74 1wi2 n VAL 71 Ca 0.00 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 1wi2 n VAL 71 Cb 0.00 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.31 1wi2 n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wi2 s ASP 72 N 2.24 6.72 -0.00 4.52 2.15 -1.26 0.16 116.67 131.20 1wi2 s ASP 72 Ca 0.86 2.10 0.06 0.00 0.43 0.00 0.00 52.55 55.99 1wi2 s ASP 72 Cb -0.73 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.23 1wi2 s ASP 72 CO 0.46 -0.52 0.22 0.49 -0.17 0.00 0.00 175.17 175.64 1wi2 n PHE 73 N -0.02 0.00 -0.25 -5.34 3.01 -0.77 -4.59 117.46 109.51 1wi2 n PHE 73 Ca 0.05 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.83 1wi2 n PHE 73 Cb 0.49 -0.03 0.63 0.00 -0.01 0.00 0.00 39.48 40.55 1wi2 n PHE 73 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1wi2 h GLN 74 N 0.00 0.00 -1.36 -1.08 4.20 -1.70 -2.29 115.11 112.88 1wi2 h GLN 74 Ca 0.00 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.27 1wi2 h GLN 74 Cb 0.17 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.65 1wi2 h GLN 74 CO 0.00 0.00 -0.87 -3.47 -0.67 0.00 0.00 178.83 173.82 1wi2 n ASP 75 N -3.62 -1.03 -4.29 1.46 -0.08 -1.26 -4.03 116.55 103.69 1wi2 n ASP 75 Ca 0.24 -2.87 -0.19 0.00 -1.51 0.00 0.00 54.79 50.46 1wi2 n ASP 75 Cb 1.36 0.26 -0.11 0.00 2.34 0.00 0.00 41.12 44.97 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1wi2 s ILE 76 N -0.38 1.55 0.18 5.18 2.07 -0.86 -5.07 121.20 123.86 1wi2 s ILE 76 Ca 0.34 -1.91 -0.28 0.00 -1.41 0.00 0.00 60.65 57.38 1wi2 s ILE 76 Cb 0.17 -1.76 -0.08 0.00 0.13 0.00 0.00 42.46 40.92 1wi2 s ILE 76 CO -0.16 -0.45 0.89 -1.61 -1.91 0.00 0.00 174.94 171.70 1wi2 s GLU 77 N -3.00 4.72 0.14 3.50 0.41 -1.26 -4.70 118.70 118.51 1wi2 s GLU 77 Ca 0.14 1.36 -0.32 0.00 -0.41 0.00 0.00 54.97 55.75 1wi2 s GLU 77 Cb -0.04 -3.30 -0.09 0.00 -1.78 0.00 0.00 34.13 28.91 1wi2 s GLU 77 CO 0.05 0.44 1.55 1.25 -0.49 0.00 0.00 175.26 178.06 1wi2 h HIS 78 N 4.64 -1.73 -0.56 1.61 -0.00 -1.96 0.45 115.15 117.60 1wi2 h HIS 78 Ca -0.45 0.09 0.11 0.00 -0.00 0.00 0.00 60.37 60.13 1wi2 h HIS 78 Cb 1.20 0.82 -0.11 0.00 -0.00 0.00 0.00 27.41 29.33 1wi2 h HIS 78 CO 0.63 -0.47 -0.13 0.77 -0.00 0.00 0.00 177.93 178.73 1wi2 h SER 79 N -0.31 -0.50 0.28 3.26 0.02 -1.97 0.27 113.55 114.60 1wi2 h SER 79 Ca 0.10 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1wi2 h SER 79 Cb 0.56 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1wi2 h SER 79 CO -0.67 -0.18 -0.50 0.50 -1.14 0.00 0.00 176.83 174.85 1wi2 h LYS 80 N 0.01 -0.81 -0.52 3.45 1.63 -1.17 0.78 116.57 119.93 1wi2 h LYS 80 Ca 0.27 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.23 1wi2 h LYS 80 Cb 0.41 0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 32.12 1wi2 h LYS 80 CO -0.57 -0.54 -0.24 0.00 -3.45 0.00 0.00 179.45 174.65 1wi2 h ALA 81 N -0.60 0.12 -0.68 5.00 0.00 0.85 1.54 119.26 125.50 1wi2 h ALA 81 Ca -0.02 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1wi2 h ALA 81 Cb 0.79 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1wi2 h ALA 81 CO -0.18 -0.57 0.36 0.28 0.00 0.00 0.00 179.25 179.13 1wi2 h VAL 82 N -0.12 0.92 0.63 0.00 2.07 0.20 -0.34 116.25 119.61 1wi2 h VAL 82 Ca 0.24 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1wi2 h VAL 82 Cb 0.49 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1wi2 h VAL 82 CO -0.60 0.12 -0.30 -0.33 0.02 0.00 0.00 177.57 176.48 1wi2 h GLU 83 N 0.65 -0.81 -0.47 1.57 3.07 0.44 -1.99 114.58 117.04 1wi2 h GLU 83 Ca 0.32 0.06 0.04 0.00 -0.50 0.00 0.00 59.36 59.27 1wi2 h GLU 83 Cb 0.26 0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 1wi2 h GLU 83 CO -0.22 -0.54 -0.29 0.82 -1.40 0.00 0.00 179.01 177.38 1wi2 h ILE 84 N -1.05 0.00 -0.89 3.13 2.04 0.22 1.18 117.51 122.13 1wi2 h ILE 84 Ca -0.09 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.01 1wi2 h ILE 84 Cb 0.65 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 1wi2 h ILE 84 CO 0.14 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.30 1wi2 h LEU 85 N -0.02 -0.30 0.00 1.44 3.38 -1.13 0.99 115.31 119.67 1wi2 h LEU 85 Ca 0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1wi2 h LEU 85 Cb 0.21 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wi2 h LEU 85 CO -0.45 -0.25 0.00 0.29 0.09 0.00 0.00 178.44 178.12 1wi2 n LYS 86 N -5.37 0.00 -0.37 1.13 5.02 0.26 -3.61 118.16 115.22 1wi2 n LYS 86 Ca 0.20 0.29 -0.05 0.00 -2.02 0.00 0.00 58.31 56.73 1wi2 n LYS 86 Cb 0.66 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 1wi2 n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wi2 n THR 87 N -1.37 -0.54 -1.45 -0.18 -2.24 0.34 -4.13 114.28 104.71 1wi2 n THR 87 Ca 0.00 2.19 -0.48 0.00 -2.27 0.00 0.00 64.05 63.48 1wi2 n THR 87 Cb 0.00 -2.81 -0.08 0.00 -2.10 0.00 0.00 70.33 65.34 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi2 n ALA 88 N -3.43 0.87 -0.33 6.98 0.00 0.34 -4.77 120.51 120.17 1wi2 n ALA 88 Ca 0.06 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1wi2 n ALA 88 Cb 0.32 -2.56 0.32 0.00 0.00 0.00 0.00 19.45 17.53 1wi2 n ALA 88 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1wi2 h ARG 89 N 13.02 0.62 -5.19 0.00 0.11 -1.84 -3.38 114.38 117.72 1wi2 h ARG 89 Ca -0.22 -0.04 -0.64 0.00 0.10 0.00 0.00 59.98 59.18 1wi2 h ARG 89 Cb 1.32 -0.14 -0.33 0.00 1.11 0.00 0.00 29.97 31.93 1wi2 h ARG 89 CO 1.09 0.41 -0.86 -1.83 0.10 0.00 0.00 179.97 178.88 1wi2 s GLU 90 N -5.85 2.65 -0.13 0.08 -1.05 -1.26 -4.31 118.70 108.82 1wi2 s GLU 90 Ca -0.11 -0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 53.78 1wi2 s GLU 90 Cb 0.25 -2.05 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1wi2 s GLU 90 CO 0.79 0.16 0.43 0.42 0.95 0.00 0.00 175.26 178.01 1wi2 s ILE 91 N 0.38 5.22 -0.45 1.83 1.01 -1.25 -4.99 121.20 122.94 1wi2 s ILE 91 Ca -0.16 0.84 0.07 0.00 0.00 0.00 0.00 60.65 61.40 1wi2 s ILE 91 Cb -0.17 -3.77 0.25 0.00 0.01 0.00 0.00 42.46 38.79 1wi2 s ILE 91 CO 0.07 0.34 0.79 -0.24 0.00 0.00 0.00 174.94 175.89 1wi2 n SER 92 N 3.70 -1.75 -4.96 3.58 2.88 -1.26 -1.29 113.62 114.51 1wi2 n SER 92 Ca -0.08 -3.14 -0.22 0.00 -1.33 0.00 0.00 58.87 54.10 1wi2 n SER 92 Cb 0.52 0.98 0.04 0.00 -0.75 0.00 0.00 64.21 64.99 1wi2 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wi2 s MET 93 N -0.05 2.48 -0.09 -1.46 0.23 -1.24 -2.99 119.30 116.19 1wi2 s MET 93 Ca 0.32 -0.72 -0.00 0.00 -1.03 0.00 0.00 55.69 54.26 1wi2 s MET 93 Cb 0.22 -2.44 -0.03 0.00 -1.53 0.00 0.00 34.83 31.05 1wi2 s MET 93 CO -0.18 -0.80 -0.06 0.50 -2.03 0.00 0.00 175.02 172.44 1wi2 s ARG 94 N -4.83 2.96 0.12 3.16 3.52 0.11 -2.54 118.95 121.46 1wi2 s ARG 94 Ca 0.58 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1wi2 s ARG 94 Cb -0.10 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1wi2 s ARG 94 CO 0.39 0.56 -0.03 0.14 -0.81 0.00 0.00 175.30 175.55 1wi2 s VAL 95 N -0.53 0.64 -0.27 7.11 -7.23 -0.86 0.13 120.40 119.38 1wi2 s VAL 95 Ca 0.08 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 1wi2 s VAL 95 Cb -0.12 -1.85 0.08 0.00 0.56 0.00 0.00 36.38 35.06 1wi2 s VAL 95 CO 0.02 -0.72 0.78 -0.60 -0.31 0.00 0.00 175.10 174.28 1wi2 s ARG 96 N -3.88 0.74 -0.33 4.82 3.52 -1.22 -0.85 118.95 121.75 1wi2 s ARG 96 Ca 0.17 0.95 -0.36 0.00 -0.13 0.00 0.00 55.73 56.36 1wi2 s ARG 96 Cb 0.06 0.32 -0.12 0.00 -1.56 0.00 0.00 34.95 33.65 1wi2 s ARG 96 CO -0.02 -0.10 2.14 0.34 -0.81 0.00 0.00 175.30 176.86 1wi2 n PHE 97 N 2.91 1.65 -2.49 5.12 -0.00 -1.26 -4.32 117.46 119.08 1wi2 n PHE 97 Ca -0.15 0.30 -0.41 0.00 -0.00 0.00 0.00 57.45 57.19 1wi2 n PHE 97 Cb 0.56 -2.53 0.01 0.00 -0.00 0.00 0.00 39.48 37.52 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1wi2 n PHE 98 N 9.31 2.64 -3.24 -5.13 7.35 -1.26 -4.84 117.46 122.29 1wi2 n PHE 98 Ca 0.40 -2.66 -0.14 0.00 -0.76 0.00 0.00 57.45 54.29 1wi2 n PHE 98 Cb 0.22 -1.46 0.01 0.00 0.35 0.00 0.00 39.48 38.60 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1wi2 n SER 99 N 1.04 -6.42 -1.62 -2.13 2.88 -1.26 -4.64 113.62 101.47 1wi2 n SER 99 Ca 0.47 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wi2 n SER 99 Cb 0.28 -2.17 0.00 0.00 -0.75 0.00 0.00 64.21 61.57 1wi2 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi2 n GLY 100 N 0.64 -4.11 2.93 0.46 0.00 -1.26 -4.37 105.19 99.48 1wi2 n GLY 100 Ca -0.02 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1wi2 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi2 n PRO 101 N -2.32 2.14 -3.60 1.61 -0.04 -1.26 -4.76 135.00 126.76 1wi2 n PRO 101 Ca 0.00 -2.20 -0.04 0.00 -0.04 0.00 0.00 63.50 61.22 1wi2 n PRO 101 Cb 0.40 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.75 1wi2 n PRO 101 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wi2 s SER 102 N 4.16 -0.19 -0.14 3.54 1.04 -1.26 -4.85 113.70 115.99 1wi2 s SER 102 Ca 0.53 -0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.67 1wi2 s SER 102 Cb 0.14 0.28 -0.16 0.00 0.10 0.00 0.00 66.02 66.38 1wi2 s SER 102 CO 0.02 -0.48 0.36 0.28 0.98 0.00 0.00 173.24 174.40 1wi2 h SER 103 N 2.00 0.00 0.00 7.02 0.02 -1.90 -3.47 113.55 117.22 1wi2 h SER 103 Ca -0.20 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1wi2 h SER 103 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1wi2 h SER 103 CO 0.27 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.52