#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 -0.77 0.16 1.61 0.01 -1.26 -5.17 113.70 108.28 1wi2 s SER 2 Ca 0.00 1.04 0.08 0.00 1.31 0.00 0.00 55.95 58.37 1wi2 s SER 2 Cb 0.00 1.87 -0.04 0.00 0.21 0.00 0.00 66.02 68.06 1wi2 s SER 2 CO 0.00 -0.15 -0.04 -0.94 0.41 0.00 0.00 173.24 172.52 1wi2 s SER 3 N 2.61 4.60 -0.13 2.44 1.04 -1.26 -5.12 113.70 117.89 1wi2 s SER 3 Ca -0.03 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 1wi2 s SER 3 Cb -0.08 -0.92 0.03 0.00 0.10 0.00 0.00 66.02 65.14 1wi2 s SER 3 CO -0.18 0.11 -0.09 -0.83 0.98 0.00 0.00 173.24 173.23 1wi2 s GLY 4 N -2.77 0.93 0.09 7.32 0.00 -1.26 -5.12 107.32 106.52 1wi2 s GLY 4 Ca 0.26 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 1wi2 s GLY 4 CO 0.17 0.73 1.05 -0.56 0.00 0.00 0.00 173.10 174.49 1wi2 s SER 5 N 1.63 7.32 -0.19 1.64 0.01 -1.26 -5.03 113.70 117.83 1wi2 s SER 5 Ca 0.05 1.89 -0.06 0.00 1.31 0.00 0.00 55.95 59.14 1wi2 s SER 5 Cb -0.13 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1wi2 s SER 5 CO -0.09 -0.24 0.38 -0.44 0.41 0.00 0.00 173.24 173.27 1wi2 s SER 6 N 0.42 -0.05 0.00 2.44 0.01 -1.26 -5.07 113.70 110.19 1wi2 s SER 6 Ca 0.51 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1wi2 s SER 6 Cb -0.26 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1wi2 s SER 6 CO 0.31 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1wi2 n GLY 7 N 5.38 -0.93 3.76 3.44 0.00 -1.26 -5.12 105.19 110.46 1wi2 n GLY 7 Ca -0.07 0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.00 6.36 0.34 1.61 2.47 -1.26 -4.81 114.94 115.65 1wi2 s ASN 8 Ca 0.00 2.99 0.00 0.00 0.42 0.00 0.00 52.86 56.27 1wi2 s ASN 8 Cb 0.00 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1wi2 s ASN 8 CO 0.00 -0.90 0.00 0.59 -3.72 0.00 0.00 177.10 173.07 1wi2 n ASN 9 N 1.60 -1.85 -3.14 -4.21 3.02 -1.26 -5.07 115.26 104.36 1wi2 n ASN 9 Ca 0.06 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 1wi2 n ASN 9 Cb 0.38 1.86 -0.01 0.00 -0.61 0.00 0.00 39.78 41.40 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 -2.00 0.85 -0.45 3.52 8.01 -1.26 -5.07 118.70 122.30 1wi2 s GLU 10 Ca 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 54.97 54.65 1wi2 s GLU 10 Cb 0.00 0.08 0.18 0.00 -4.31 0.00 0.00 34.13 30.08 1wi2 s GLU 10 CO 0.00 -1.20 0.50 1.47 0.01 0.00 0.00 175.26 176.04 1wi2 n LEU 11 N 4.18 -1.63 -4.63 1.80 -0.00 -1.26 -5.13 117.00 110.34 1wi2 n LEU 11 Ca 0.12 -3.82 -0.29 0.00 -0.00 0.00 0.00 56.01 52.02 1wi2 n LEU 11 Cb 0.57 0.63 -0.09 0.00 -0.00 0.00 0.00 43.42 44.53 1wi2 n LEU 11 CO 0.00 1.90 -0.26 0.42 -0.00 0.00 0.00 177.39 179.45 1wi2 s THR 12 N 0.34 1.32 0.00 1.47 -4.23 -1.26 -5.02 115.64 108.25 1wi2 s THR 12 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1wi2 s THR 12 Cb 0.03 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1wi2 s THR 12 CO -0.14 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 1wi2 n GLN 13 N -1.03 0.00 -1.19 3.99 10.64 -1.26 -4.97 117.38 123.56 1wi2 n GLN 13 Ca -0.10 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.04 1wi2 n GLN 13 Cb 0.67 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.01 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1wi2 n PHE 14 N -0.83 0.00 -3.09 2.61 3.72 -1.26 -5.12 117.46 113.48 1wi2 n PHE 14 Ca 0.00 -0.49 -0.28 0.00 -0.05 0.00 0.00 57.45 56.63 1wi2 n PHE 14 Cb 0.00 0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wi2 s LEU 15 N 0.00 3.91 0.00 4.37 1.43 -1.26 -5.10 118.68 122.03 1wi2 s LEU 15 Ca 0.14 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1wi2 s LEU 15 Cb 0.16 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1wi2 s LEU 15 CO -0.07 -0.34 0.00 -0.81 0.23 0.00 0.00 176.35 175.37 1wi2 n PRO 16 N -1.44 0.28 -4.25 1.29 -0.04 -1.26 -5.08 135.00 124.49 1wi2 n PRO 16 Ca -0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 1wi2 n PRO 16 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 1wi2 n PRO 16 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wi2 s ARG 17 N -1.44 1.07 -0.38 0.54 1.70 -0.88 -5.02 118.95 114.55 1wi2 s ARG 17 Ca 0.00 -1.42 -0.04 0.00 -0.47 0.00 0.00 55.73 53.80 1wi2 s ARG 17 Cb 0.00 -0.69 0.08 0.00 -0.57 0.00 0.00 34.95 33.77 1wi2 s ARG 17 CO 0.00 0.10 0.16 0.42 -1.08 0.00 0.00 175.30 174.90 1wi2 s ILE 18 N -3.11 3.44 -0.72 4.99 -1.09 -1.26 -2.38 121.20 121.07 1wi2 s ILE 18 Ca 0.16 -1.69 -0.19 0.00 -2.23 0.00 0.00 60.65 56.69 1wi2 s ILE 18 Cb 0.01 -3.19 0.12 0.00 -1.58 0.00 0.00 42.46 37.82 1wi2 s ILE 18 CO 0.01 -0.48 0.87 -0.69 -1.23 0.00 0.00 174.94 173.43 1wi2 s VAL 19 N 1.24 4.79 -0.14 2.92 1.01 -0.87 -4.96 120.40 124.39 1wi2 s VAL 19 Ca 0.03 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 1wi2 s VAL 19 Cb -0.22 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.51 1wi2 s VAL 19 CO -0.02 -1.28 0.20 -0.89 0.00 0.00 0.00 175.10 173.11 1wi2 s THR 20 N 2.66 5.38 0.11 3.92 2.01 -1.26 -3.39 115.64 125.06 1wi2 s THR 20 Ca 0.20 0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.63 1wi2 s THR 20 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1wi2 s THR 20 CO 0.01 0.51 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.58 1wi2 s LEU 21 N -0.27 3.03 0.00 4.42 1.02 -0.99 -4.96 118.68 120.93 1wi2 s LEU 21 Ca 0.14 -0.40 0.23 0.00 0.02 0.00 0.00 54.13 54.12 1wi2 s LEU 21 Cb -0.12 -1.82 0.57 0.00 0.02 0.00 0.00 46.19 44.84 1wi2 s LEU 21 CO 0.03 0.18 1.47 0.29 0.02 0.00 0.00 176.35 178.34 1wi2 n LYS 22 N 0.69 2.11 -1.44 1.70 4.76 -1.26 -3.60 118.16 121.11 1wi2 n LYS 22 Ca -0.13 -1.65 -0.59 0.00 -2.87 0.00 0.00 58.31 53.06 1wi2 n LYS 22 Cb 0.52 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wi2 n LYS 23 N 0.91 0.00 -1.57 1.97 0.00 -1.26 -4.87 118.16 113.34 1wi2 n LYS 23 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.17 1wi2 n LYS 23 Cb 0.48 -1.37 0.06 0.00 0.00 0.00 0.00 35.03 34.20 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 3.66 2.77 -0.76 1.64 0.04 -1.26 -4.67 135.00 136.42 1wi2 s PRO 24 Ca 1.00 0.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 1wi2 s PRO 24 Cb -1.37 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 31.08 1wi2 s PRO 24 CO 0.70 -1.20 2.61 -0.35 0.04 0.00 0.00 177.00 178.80 1wi2 n PRO 25 N -3.19 2.30 0.00 0.56 -0.04 -1.26 -2.80 135.00 130.56 1wi2 n PRO 25 Ca 0.07 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1wi2 n PRO 25 Cb 0.54 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 3.29 0.00 0.00 0.55 0.00 -1.26 -5.15 105.19 102.62 1wi2 n GLY 26 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 n ALA 27 N 0.00 0.00 -3.05 4.61 0.00 -1.12 -5.15 120.51 115.79 1wi2 n ALA 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1wi2 n ALA 27 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1wi2 n ALA 27 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wi2 s GLN 28 N 0.03 3.51 0.00 0.00 -2.07 -1.26 -5.00 119.66 114.87 1wi2 s GLN 28 Ca 0.00 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 52.93 1wi2 s GLN 28 Cb 0.00 -2.79 0.00 0.00 -1.09 0.00 0.00 33.01 29.13 1wi2 s GLN 28 CO 0.00 0.20 0.78 -0.11 -1.32 0.00 0.00 175.29 174.83 1wi2 n LEU 29 N 3.63 0.00 0.00 2.60 7.94 -1.26 -4.90 117.00 125.00 1wi2 n LEU 29 Ca -0.18 0.78 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 1wi2 n LEU 29 Cb 0.52 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.20 1wi2 n LEU 29 CO 0.32 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1wi2 n GLY 30 N -0.96 1.49 3.51 -3.96 0.00 -1.26 -4.81 105.19 99.21 1wi2 n GLY 30 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.52 0.32 1.61 -0.71 -1.26 0.38 117.98 115.80 1wi2 s PHE 31 Ca 0.00 0.73 0.07 0.00 -1.04 0.00 0.00 56.93 56.69 1wi2 s PHE 31 Cb 0.00 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1wi2 s PHE 31 CO 0.00 -0.57 0.27 -0.80 -1.34 0.00 0.00 175.22 172.78 1wi2 s ASN 32 N -1.63 5.32 -0.02 1.98 0.01 0.85 -4.94 114.94 116.52 1wi2 s ASN 32 Ca -0.04 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1wi2 s ASN 32 Cb -0.00 -1.05 -0.01 0.00 0.41 0.00 0.00 41.25 40.60 1wi2 s ASN 32 CO 0.01 -0.29 -0.15 0.27 -1.51 0.00 0.00 177.10 175.43 1wi2 s ILE 33 N -2.27 1.21 0.22 0.60 -4.36 -1.26 -1.68 121.20 113.66 1wi2 s ILE 33 Ca 0.39 -0.64 0.06 0.00 -0.26 0.00 0.00 60.65 60.20 1wi2 s ILE 33 Cb -0.06 -1.02 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1wi2 s ILE 33 CO 0.26 0.35 -0.09 0.00 0.24 0.00 0.00 174.94 175.69 1wi2 s ARG 34 N -0.24 1.34 0.56 0.37 1.70 -1.08 -4.83 118.95 116.78 1wi2 s ARG 34 Ca 0.03 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 53.67 1wi2 s ARG 34 Cb -0.07 -0.97 0.00 0.00 -0.57 0.00 0.00 34.95 33.34 1wi2 s ARG 34 CO -0.00 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 1wi2 n GLY 35 N -0.41 -3.32 0.00 3.88 0.00 -1.26 -2.90 105.19 101.18 1wi2 n GLY 35 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.57 4.19 0.00 -0.02 0.00 0.77 -4.19 105.19 102.37 1wi2 n GLY 36 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 1.61 4.81 -1.20 -4.03 118.16 119.35 1wi2 n LYS 37 Ca 0.00 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1wi2 n LYS 37 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 -2.86 0.00 -4.13 3.14 0.00 -1.26 -4.80 120.51 110.60 1wi2 n ALA 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1wi2 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.58 -2.93 0.00 2.88 -1.26 -3.31 113.62 106.42 1wi2 n SER 39 Ca 0.00 -0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 56.53 1wi2 n SER 39 Cb 0.00 -2.92 -0.01 0.00 -0.75 0.00 0.00 64.21 60.53 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 -4.42 -2.18 -3.61 -1.46 6.02 -1.26 -5.04 117.38 105.42 1wi2 n GLN 40 Ca -0.04 1.92 -0.06 0.00 -0.01 0.00 0.00 57.00 58.82 1wi2 n GLN 40 Cb 0.55 -2.87 -0.05 0.00 1.02 0.00 0.00 30.24 28.90 1wi2 n GLN 40 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wi2 s LEU 41 N -0.87 -0.19 0.00 1.08 1.98 -1.21 -4.97 118.68 114.50 1wi2 s LEU 41 Ca -0.06 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.39 1wi2 s LEU 41 Cb 0.00 1.44 0.00 0.00 0.66 0.00 0.00 46.19 48.29 1wi2 s LEU 41 CO 0.36 -0.17 0.00 0.61 -1.89 0.00 0.00 176.35 175.25 1wi2 n GLY 42 N 0.61 1.80 2.88 7.98 0.00 -1.26 -3.63 105.19 113.58 1wi2 n GLY 42 Ca -0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 4.08 1.24 0.13 -0.61 -1.09 -1.26 -0.16 121.20 123.54 1wi2 s ILE 43 Ca 0.00 -1.00 0.10 0.00 -2.23 0.00 0.00 60.65 57.52 1wi2 s ILE 43 Cb 0.00 -1.56 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 1wi2 s ILE 43 CO 0.00 -0.11 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.01 1wi2 s PHE 44 N 1.53 2.40 -0.84 3.97 0.40 -1.14 0.13 117.98 124.43 1wi2 s PHE 44 Ca -0.04 -0.33 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 1wi2 s PHE 44 Cb -0.18 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 1wi2 s PHE 44 CO -0.07 0.37 2.01 0.42 0.70 0.00 0.00 175.22 178.66 1wi2 s ILE 45 N -1.15 3.36 0.06 0.64 -1.09 -0.95 -2.62 121.20 119.45 1wi2 s ILE 45 Ca 0.16 -0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 1wi2 s ILE 45 Cb -0.10 -3.83 -0.14 0.00 -1.58 0.00 0.00 42.46 36.81 1wi2 s ILE 45 CO 0.08 -0.78 1.42 0.77 -1.23 0.00 0.00 174.94 175.20 1wi2 h SER 46 N 12.16 -0.99 -3.63 3.58 4.64 -1.64 -3.22 113.55 124.46 1wi2 h SER 46 Ca 0.03 0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1wi2 h SER 46 Cb 1.03 0.30 -0.27 0.00 -0.31 0.00 0.00 62.40 63.15 1wi2 h SER 46 CO 1.18 -0.55 -0.45 -0.75 -0.87 0.00 0.00 176.83 175.39 1wi2 s LYS 47 N -5.19 0.26 0.01 4.77 2.36 -1.20 -4.84 119.74 115.91 1wi2 s LYS 47 Ca -0.14 0.43 0.02 0.00 -2.55 0.00 0.00 55.97 53.73 1wi2 s LYS 47 Cb 0.03 0.04 -0.01 0.00 -1.05 0.00 0.00 37.83 36.83 1wi2 s LYS 47 CO 0.45 -0.09 -0.07 0.54 1.55 0.00 0.00 175.35 177.73 1wi2 s VAL 48 N 0.60 0.56 -0.03 4.02 0.11 -1.26 0.29 120.40 124.69 1wi2 s VAL 48 Ca -0.04 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 1wi2 s VAL 48 Cb -0.05 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 1wi2 s VAL 48 CO -0.03 0.00 1.67 -0.63 -3.33 0.00 0.00 175.10 172.78 1wi2 s ILE 49 N -0.51 3.46 -0.22 7.04 -1.09 0.16 -4.85 121.20 125.19 1wi2 s ILE 49 Ca -0.01 0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 58.99 1wi2 s ILE 49 Cb -0.05 -3.40 -0.18 0.00 -1.58 0.00 0.00 42.46 37.25 1wi2 s ILE 49 CO 0.00 -0.05 2.79 -0.81 -1.23 0.00 0.00 174.94 175.64 1wi2 n PRO 50 N 6.90 1.74 0.00 2.79 -0.04 -1.26 -2.59 135.00 142.54 1wi2 n PRO 50 Ca 0.17 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1wi2 n PRO 50 Cb 0.42 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1wi2 n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wi2 n ASP 51 N 2.86 0.00 -4.26 3.54 2.03 -1.26 -5.04 116.55 114.42 1wi2 n ASP 51 Ca 0.37 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.49 1wi2 n ASP 51 Cb 0.60 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.90 1wi2 n ASP 51 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wi2 s SER 52 N 0.00 1.72 0.29 1.67 1.04 -1.07 -4.99 113.70 112.36 1wi2 s SER 52 Ca 0.00 -1.45 0.03 0.00 0.48 0.00 0.00 55.95 55.02 1wi2 s SER 52 Cb 0.00 0.19 0.66 0.00 0.10 0.00 0.00 66.02 66.97 1wi2 s SER 52 CO 0.00 -0.75 1.78 0.44 0.98 0.00 0.00 173.24 175.68 1wi2 h ASP 53 N 2.22 0.73 0.00 7.02 5.19 -1.90 0.40 116.42 130.08 1wi2 h ASP 53 Ca -0.38 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1wi2 h ASP 53 Cb 1.25 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1wi2 h ASP 53 CO 0.61 0.29 0.00 0.00 -3.12 0.00 0.00 179.24 177.01 1wi2 n ALA 54 N -2.36 -0.41 -0.31 3.45 0.00 -1.26 0.11 120.51 119.72 1wi2 n ALA 54 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1wi2 n ALA 54 Cb 0.51 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.14 1wi2 n ALA 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wi2 h HIS 55 N 0.00 -0.24 -0.79 0.00 -0.00 -1.61 1.47 115.15 113.98 1wi2 h HIS 55 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1wi2 h HIS 55 Cb 0.00 0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 1wi2 h HIS 55 CO 0.19 -0.36 0.46 0.00 -0.00 0.00 0.00 177.93 178.22 1wi2 h ARG 56 N 0.03 1.08 -0.02 5.26 3.08 -0.13 0.33 114.38 124.01 1wi2 h ARG 56 Ca 0.48 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1wi2 h ARG 56 Cb 0.85 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1wi2 h ARG 56 CO -0.86 0.77 0.12 0.00 -1.07 0.00 0.00 179.97 178.93 1wi2 h ALA 57 N 1.42 1.23 0.00 0.04 0.00 0.93 -3.44 119.26 119.44 1wi2 h ALA 57 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wi2 h ALA 57 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wi2 h ALA 57 CO -0.05 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1wi2 n GLY 58 N -1.18 1.92 3.76 0.00 0.00 0.07 -4.94 105.19 104.83 1wi2 n GLY 58 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 4.54 -0.16 0.99 1.02 -0.99 -5.00 118.68 119.09 1wi2 s LEU 59 Ca 0.00 1.95 -0.11 0.00 0.02 0.00 0.00 54.13 56.00 1wi2 s LEU 59 Cb 0.00 -3.74 0.05 0.00 0.02 0.00 0.00 46.19 42.52 1wi2 s LEU 59 CO 0.00 0.05 0.39 0.00 0.02 0.00 0.00 176.35 176.81 1wi2 s GLN 60 N -1.48 0.41 -0.88 1.70 -2.07 -1.26 -4.62 119.66 111.46 1wi2 s GLN 60 Ca 0.44 0.67 -0.30 0.00 -1.82 0.00 0.00 55.36 54.36 1wi2 s GLN 60 Cb -0.24 0.07 -0.18 0.00 -1.09 0.00 0.00 33.01 31.56 1wi2 s GLN 60 CO 0.31 -0.12 2.63 0.39 -1.32 0.00 0.00 175.29 177.18 1wi2 n GLU 61 N 3.70 0.24 0.00 9.60 1.02 -1.26 -2.10 120.64 131.84 1wi2 n GLU 61 Ca -0.19 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1wi2 n GLU 61 Cb 0.56 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1wi2 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wi2 n GLY 62 N 6.38 0.92 3.09 0.62 0.00 -1.21 -5.04 105.19 109.95 1wi2 n GLY 62 Ca 0.59 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.64 4.89 0.33 1.61 1.01 -0.89 -3.60 116.67 118.39 1wi2 s ASP 63 Ca 0.00 -1.80 -0.29 0.00 0.71 0.00 0.00 52.55 51.17 1wi2 s ASP 63 Cb 0.00 -1.69 -0.10 0.00 1.01 0.00 0.00 42.92 42.13 1wi2 s ASP 63 CO 0.00 -0.37 1.36 -1.58 0.21 0.00 0.00 175.17 174.79 1wi2 s GLN 64 N 1.08 4.30 -0.82 8.23 0.74 -1.25 -2.24 119.66 129.70 1wi2 s GLN 64 Ca 0.03 2.30 -0.10 0.00 0.05 0.00 0.00 55.36 57.64 1wi2 s GLN 64 Cb -0.20 -3.05 0.21 0.00 1.10 0.00 0.00 33.01 31.07 1wi2 s GLN 64 CO -0.05 -0.28 0.73 0.08 -0.55 0.00 0.00 175.29 175.22 1wi2 s VAL 65 N -1.04 5.17 0.02 1.34 1.01 0.36 -3.12 120.40 124.13 1wi2 s VAL 65 Ca 0.51 -2.75 -0.05 0.00 0.00 0.00 0.00 61.98 59.69 1wi2 s VAL 65 Cb -0.41 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 1wi2 s VAL 65 CO 0.54 -1.01 1.08 -0.07 0.00 0.00 0.00 175.10 175.63 1wi2 h LEU 66 N 7.40 -0.25 -8.30 3.92 3.38 -0.61 -3.40 115.31 117.45 1wi2 h LEU 66 Ca 0.09 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1wi2 h LEU 66 Cb 0.99 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 1wi2 h LEU 66 CO 0.77 -0.06 -0.70 0.00 0.09 0.00 0.00 178.44 178.54 1wi2 s ALA 67 N -3.94 0.73 -0.25 1.53 0.00 -1.22 -1.73 121.76 116.87 1wi2 s ALA 67 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1wi2 s ALA 67 Cb 0.01 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1wi2 s ALA 67 CO 0.08 -0.20 -0.03 0.08 0.00 0.00 0.00 175.76 175.70 1wi2 s VAL 68 N -2.97 1.52 -1.25 0.00 1.01 0.36 0.56 120.40 119.63 1wi2 s VAL 68 Ca 0.03 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 1wi2 s VAL 68 Cb 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1wi2 s VAL 68 CO -0.04 -0.21 1.06 0.59 0.00 0.00 0.00 175.10 176.50 1wi2 n ASN 69 N 4.65 -3.88 0.00 3.32 3.02 -0.77 -2.02 115.26 119.59 1wi2 n ASN 69 Ca -0.09 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1wi2 n ASN 69 Cb 0.44 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 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 -3.04 0.00 -4.66 6.41 2.03 -1.26 -4.95 116.55 111.08 1wi2 n ASP 70 Ca -0.16 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.67 1wi2 n ASP 70 Cb 0.62 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.97 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1wi2 n VAL 71 N 0.00 0.09 -2.45 5.18 0.31 -0.86 -4.90 118.33 115.70 1wi2 n VAL 71 Ca 0.00 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 1wi2 n VAL 71 Cb 0.00 -1.45 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 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 1.34 7.22 0.00 4.52 2.15 -1.26 0.14 116.67 130.78 1wi2 s ASP 72 Ca 0.82 2.26 0.08 0.00 0.43 0.00 0.00 52.55 56.14 1wi2 s ASP 72 Cb -0.74 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.22 1wi2 s ASP 72 CO 0.42 -0.20 0.44 0.49 -0.17 0.00 0.00 175.17 176.14 1wi2 n PHE 73 N 1.53 0.00 -0.02 -5.34 3.01 -0.71 -4.56 117.46 111.37 1wi2 n PHE 73 Ca 0.00 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.70 1wi2 n PHE 73 Cb 0.45 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.54 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 0.43 0.00 -1.65 -1.08 4.20 -1.73 -2.90 115.11 112.38 1wi2 h GLN 74 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 1wi2 h GLN 74 Cb 0.22 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.72 1wi2 h GLN 74 CO 0.00 0.00 -0.78 -3.47 -0.67 0.00 0.00 178.83 173.91 1wi2 n ASP 75 N -3.49 -1.67 -4.21 1.46 -0.08 -1.26 -4.36 116.55 102.95 1wi2 n ASP 75 Ca 0.13 -2.68 -0.12 0.00 -1.51 0.00 0.00 54.79 50.62 1wi2 n ASP 75 Cb 0.98 0.45 -0.10 0.00 2.34 0.00 0.00 41.12 44.79 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 0.26 0.91 0.30 5.18 2.07 -1.09 -5.07 121.20 123.75 1wi2 s ILE 76 Ca 0.32 -1.99 -0.23 0.00 -1.41 0.00 0.00 60.65 57.34 1wi2 s ILE 76 Cb 0.06 -1.77 -0.09 0.00 0.13 0.00 0.00 42.46 40.79 1wi2 s ILE 76 CO -0.14 -0.81 0.87 -1.61 -1.91 0.00 0.00 174.94 171.34 1wi2 s GLU 77 N -3.80 4.43 0.06 3.50 0.41 -1.26 -3.26 118.70 118.77 1wi2 s GLU 77 Ca 0.14 1.14 -0.20 0.00 -0.41 0.00 0.00 54.97 55.64 1wi2 s GLU 77 Cb 0.04 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 1wi2 s GLU 77 CO -0.02 0.28 1.32 1.25 -0.49 0.00 0.00 175.26 177.60 1wi2 h HIS 78 N 3.10 -0.87 -0.98 1.61 -0.00 -1.87 0.42 115.15 116.56 1wi2 h HIS 78 Ca -0.47 0.02 0.26 0.00 -0.00 0.00 0.00 60.37 60.18 1wi2 h HIS 78 Cb 1.19 0.36 -0.13 0.00 -0.00 0.00 0.00 27.41 28.83 1wi2 h HIS 78 CO 0.62 -0.36 0.55 1.03 -0.00 0.00 0.00 177.93 179.77 1wi2 h SER 79 N -0.47 0.56 0.18 3.26 0.87 -1.96 0.33 113.55 116.32 1wi2 h SER 79 Ca -0.01 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1wi2 h SER 79 Cb 0.46 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1wi2 h SER 79 CO -0.13 0.02 -0.09 0.50 -0.53 0.00 0.00 176.83 176.59 1wi2 h LYS 80 N 0.48 -0.23 -0.25 2.24 1.63 -1.60 0.68 116.57 119.51 1wi2 h LYS 80 Ca 0.65 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.52 1wi2 h LYS 80 Cb 1.32 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.95 1wi2 h LYS 80 CO -0.52 -0.13 -0.06 0.00 -3.45 0.00 0.00 179.45 175.29 1wi2 h ALA 81 N 0.54 0.17 -0.12 5.00 0.00 0.33 1.36 119.26 126.54 1wi2 h ALA 81 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wi2 h ALA 81 Cb 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wi2 h ALA 81 CO 0.04 -0.47 0.02 0.28 0.00 0.00 0.00 179.25 179.12 1wi2 h VAL 82 N 0.00 0.95 0.99 0.00 2.07 -0.38 -0.98 116.25 118.90 1wi2 h VAL 82 Ca 0.12 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wi2 h VAL 82 Cb 0.18 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1wi2 h VAL 82 CO -0.25 0.01 -0.47 -0.33 0.02 0.00 0.00 177.57 176.54 1wi2 h GLU 83 N 0.07 -1.28 -0.65 1.57 5.08 0.12 -1.89 114.58 117.60 1wi2 h GLU 83 Ca 0.05 0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1wi2 h GLU 83 Cb 0.04 0.29 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1wi2 h GLU 83 CO -0.07 -0.85 -0.40 0.82 -1.00 0.00 0.00 179.01 177.51 1wi2 h ILE 84 N -1.33 0.00 -0.85 3.13 2.04 0.19 1.06 117.51 121.75 1wi2 h ILE 84 Ca -0.14 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.90 1wi2 h ILE 84 Cb 1.01 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.93 1wi2 h ILE 84 CO 0.22 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 178.13 1wi2 h LEU 85 N -0.02 -0.72 0.00 1.44 3.38 -1.14 1.34 115.31 119.59 1wi2 h LEU 85 Ca 0.10 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1wi2 h LEU 85 Cb 0.29 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1wi2 h LEU 85 CO -0.62 -0.28 0.00 0.29 0.09 0.00 0.00 178.44 177.92 1wi2 n LYS 86 N -5.52 0.00 -0.40 1.13 5.02 0.23 -3.54 118.16 115.07 1wi2 n LYS 86 Ca 0.14 0.37 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 1wi2 n LYS 86 Cb 0.46 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.61 -0.61 -1.43 -0.18 -2.24 0.30 -4.17 114.28 104.34 1wi2 n THR 87 Ca 0.00 2.34 -0.51 0.00 -2.27 0.00 0.00 64.05 63.62 1wi2 n THR 87 Cb 0.00 -2.97 -0.08 0.00 -2.10 0.00 0.00 70.33 65.18 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 -3.35 0.92 -0.07 6.98 0.00 0.45 -4.77 120.51 120.68 1wi2 n ALA 88 Ca 0.05 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1wi2 n ALA 88 Cb 0.31 -2.50 0.42 0.00 0.00 0.00 0.00 19.45 17.67 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 12.29 0.57 -4.82 0.00 0.11 -1.83 -3.40 114.38 117.29 1wi2 h ARG 89 Ca -0.24 -0.03 -0.57 0.00 0.10 0.00 0.00 59.98 59.24 1wi2 h ARG 89 Cb 1.33 -0.13 -0.33 0.00 1.11 0.00 0.00 29.97 31.95 1wi2 h ARG 89 CO 1.05 0.37 -0.84 -1.83 0.10 0.00 0.00 179.97 178.83 1wi2 s GLU 90 N -5.52 2.17 -0.04 0.08 -1.05 -1.26 -4.60 118.70 108.47 1wi2 s GLU 90 Ca -0.09 -0.57 -0.12 0.00 -0.15 0.00 0.00 54.97 54.04 1wi2 s GLU 90 Cb 0.18 -1.71 -0.05 0.00 -0.44 0.00 0.00 34.13 32.11 1wi2 s GLU 90 CO 0.75 0.08 0.32 0.42 0.95 0.00 0.00 175.26 177.78 1wi2 s ILE 91 N 0.55 5.19 -0.45 1.83 1.01 -1.24 -4.95 121.20 123.14 1wi2 s ILE 91 Ca -0.16 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.17 1wi2 s ILE 91 Cb -0.17 -3.61 0.26 0.00 0.01 0.00 0.00 42.46 38.95 1wi2 s ILE 91 CO 0.06 0.59 1.00 -0.24 0.00 0.00 0.00 174.94 176.34 1wi2 n SER 92 N 1.91 -2.49 -4.97 3.58 2.88 -1.26 -2.34 113.62 110.94 1wi2 n SER 92 Ca -0.16 -3.00 -0.21 0.00 -1.33 0.00 0.00 58.87 54.17 1wi2 n SER 92 Cb 0.53 1.60 0.02 0.00 -0.75 0.00 0.00 64.21 65.62 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 0.52 2.77 -0.34 -1.46 0.23 -1.22 -1.84 119.30 117.97 1wi2 s MET 93 Ca 0.30 -0.76 -0.04 0.00 -1.03 0.00 0.00 55.69 54.15 1wi2 s MET 93 Cb 0.23 -2.56 0.06 0.00 -1.53 0.00 0.00 34.83 31.03 1wi2 s MET 93 CO -0.20 -0.48 0.09 1.03 -2.03 0.00 0.00 175.02 173.43 1wi2 s ARG 94 N -4.61 2.44 0.40 3.16 0.52 0.19 -2.06 118.95 118.99 1wi2 s ARG 94 Ca 0.53 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 1wi2 s ARG 94 Cb -0.10 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 1wi2 s ARG 94 CO 0.37 -0.73 0.38 0.14 0.02 0.00 0.00 175.30 175.48 1wi2 s VAL 95 N 1.30 2.85 -0.28 3.52 -7.23 -1.00 0.11 120.40 119.67 1wi2 s VAL 95 Ca -0.01 -1.31 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 1wi2 s VAL 95 Cb -0.20 -3.03 0.10 0.00 0.56 0.00 0.00 36.38 33.80 1wi2 s VAL 95 CO -0.00 -0.03 0.87 -0.60 -0.31 0.00 0.00 175.10 175.02 1wi2 s ARG 96 N -4.13 0.64 -0.36 4.82 3.52 -1.18 -2.07 118.95 120.20 1wi2 s ARG 96 Ca 0.48 0.83 -0.43 0.00 -0.13 0.00 0.00 55.73 56.48 1wi2 s ARG 96 Cb -0.04 0.28 -0.18 0.00 -1.56 0.00 0.00 34.95 33.45 1wi2 s ARG 96 CO 0.28 -0.09 1.63 1.97 -0.81 0.00 0.00 175.30 178.28 1wi2 n PHE 97 N 2.79 1.83 -2.94 5.12 -1.74 -1.26 -3.88 117.46 117.38 1wi2 n PHE 97 Ca -0.15 0.85 -0.14 0.00 -0.56 0.00 0.00 57.45 57.46 1wi2 n PHE 97 Cb 0.56 -2.33 0.01 0.00 1.52 0.00 0.00 39.48 39.23 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1wi2 n PHE 98 N 4.45 0.30 -3.65 2.97 7.35 -1.24 -4.98 117.46 122.67 1wi2 n PHE 98 Ca 0.28 -3.26 -0.03 0.00 -0.76 0.00 0.00 57.45 53.68 1wi2 n PHE 98 Cb 0.04 -0.22 -0.07 0.00 0.35 0.00 0.00 39.48 39.58 1wi2 n PHE 98 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1wi2 s SER 99 N -2.59 -0.13 0.30 -2.13 1.04 -1.26 -4.82 113.70 104.11 1wi2 s SER 99 Ca 0.33 0.24 0.07 0.00 0.48 0.00 0.00 55.95 57.08 1wi2 s SER 99 Cb 0.39 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 1wi2 s SER 99 CO -0.03 -0.04 0.27 -0.83 0.98 0.00 0.00 173.24 173.59 1wi2 s GLY 100 N 0.24 1.61 0.01 7.32 0.00 -1.26 -5.08 107.32 110.16 1wi2 s GLY 100 Ca 0.04 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1wi2 s GLY 100 CO -0.13 -1.51 1.19 2.56 0.00 0.00 0.00 173.10 175.20 1wi2 s PRO 101 N -3.95 4.41 -0.06 2.90 0.04 -1.26 -5.03 135.00 132.05 1wi2 s PRO 101 Ca 0.38 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1wi2 s PRO 101 Cb -0.07 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1wi2 s PRO 101 CO 0.26 -0.32 -0.12 -1.12 0.04 0.00 0.00 177.00 175.75 1wi2 s SER 102 N 1.23 4.23 -0.18 6.66 0.01 -1.26 -5.11 113.70 119.28 1wi2 s SER 102 Ca 0.57 -0.15 -0.22 0.00 1.31 0.00 0.00 55.95 57.46 1wi2 s SER 102 Cb -0.27 -0.99 0.06 0.00 0.21 0.00 0.00 66.02 65.02 1wi2 s SER 102 CO 0.26 0.34 0.60 -0.44 0.41 0.00 0.00 173.24 174.41 1wi2 s SER 103 N -0.69 -0.60 0.00 2.44 0.01 -1.26 -5.35 113.70 108.24 1wi2 s SER 103 Ca 0.11 1.04 0.09 0.00 1.31 0.00 0.00 55.95 58.50 1wi2 s SER 103 Cb -0.11 1.04 0.07 0.00 0.21 0.00 0.00 66.02 67.24 1wi2 s SER 103 CO 0.01 -0.30 0.80 0.61 0.41 0.00 0.00 173.24 174.77