#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 -0.67 -1.04 1.61 0.01 -1.26 -5.08 113.70 107.27 1wi2 s SER 2 Ca 0.00 1.17 -0.23 0.00 1.31 0.00 0.00 55.95 58.20 1wi2 s SER 2 Cb 0.00 1.14 -0.02 0.00 0.21 0.00 0.00 66.02 67.35 1wi2 s SER 2 CO 0.00 -0.32 1.80 -0.55 0.41 0.00 0.00 173.24 174.58 1wi2 s SER 3 N -0.04 5.65 0.00 2.44 0.15 -1.26 -4.39 113.70 116.25 1wi2 s SER 3 Ca -0.02 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1wi2 s SER 3 Cb -0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wi2 s SER 3 CO 0.02 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.74 1wi2 n GLY 4 N 6.48 -1.25 3.14 9.45 0.00 -1.26 -5.12 105.19 116.63 1wi2 n GLY 4 Ca 0.40 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1wi2 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi2 s SER 5 N 0.00 -0.29 -0.28 1.61 0.01 -1.26 -5.11 113.70 108.38 1wi2 s SER 5 Ca 0.00 0.56 -0.28 0.00 1.31 0.00 0.00 55.95 57.53 1wi2 s SER 5 Cb 0.00 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 1wi2 s SER 5 CO 0.00 -0.12 1.94 -0.44 0.41 0.00 0.00 173.24 175.04 1wi2 s SER 6 N 0.50 5.76 0.00 2.44 0.01 -1.26 -3.42 113.70 117.73 1wi2 s SER 6 Ca -0.03 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1wi2 s SER 6 Cb -0.04 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wi2 s SER 6 CO -0.03 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.45 1wi2 n GLY 7 N 5.52 1.11 3.29 3.44 0.00 -1.26 -5.10 105.19 112.20 1wi2 n GLY 7 Ca 0.25 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.61 0.19 1.61 3.84 -1.22 -4.93 114.94 118.03 1wi2 s ASN 8 Ca 0.00 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 52.63 1wi2 s ASN 8 Cb 0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.17 1wi2 s ASN 8 CO 0.00 0.15 0.00 0.59 -2.79 0.00 0.00 177.10 175.05 1wi2 n ASN 9 N 3.64 -0.72 -3.48 -4.21 4.13 -1.26 -4.49 115.26 108.87 1wi2 n ASN 9 Ca -0.19 0.34 0.01 0.00 1.68 0.00 0.00 54.58 56.43 1wi2 n ASN 9 Cb 0.53 0.83 -0.03 0.00 -1.54 0.00 0.00 39.78 39.56 1wi2 n ASN 9 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1wi2 s GLU 10 N -2.00 0.55 -0.43 3.52 -1.05 -1.26 -5.09 118.70 112.94 1wi2 s GLU 10 Ca 0.00 1.26 0.06 0.00 -0.15 0.00 0.00 54.97 56.14 1wi2 s GLU 10 Cb 0.00 0.75 0.20 0.00 -0.44 0.00 0.00 34.13 34.64 1wi2 s GLU 10 CO 0.00 -0.32 0.51 1.47 0.95 0.00 0.00 175.26 177.87 1wi2 n LEU 11 N 5.42 -1.16 -4.61 1.83 -0.00 -1.26 -5.10 117.00 112.12 1wi2 n LEU 11 Ca -0.08 -4.06 -0.43 0.00 -0.00 0.00 0.00 56.01 51.44 1wi2 n LEU 11 Cb 0.50 0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 44.53 1wi2 n LEU 11 CO -0.02 1.94 1.48 0.42 -0.00 0.00 0.00 177.39 181.21 1wi2 s THR 12 N -0.01 3.53 0.00 1.47 -4.23 -1.26 -4.41 115.64 110.73 1wi2 s THR 12 Ca 0.33 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1wi2 s THR 12 Cb 0.08 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1wi2 s THR 12 CO -0.15 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.59 1wi2 n GLN 13 N 8.09 0.00 -2.69 3.99 10.64 -1.26 -5.00 117.38 131.15 1wi2 n GLN 13 Ca 0.21 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.32 1wi2 n GLN 13 Cb 0.46 0.00 0.12 0.00 -0.86 0.00 0.00 30.24 29.95 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 -1.71 -2.11 -4.38 2.61 3.72 -1.26 -5.13 117.46 109.20 1wi2 n PHE 14 Ca 0.00 -1.93 -0.33 0.00 -0.05 0.00 0.00 57.45 55.14 1wi2 n PHE 14 Cb 0.00 1.45 -0.10 0.00 -0.94 0.00 0.00 39.48 39.89 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 -3.40 3.40 0.63 4.37 1.43 -1.26 -5.11 118.68 118.74 1wi2 s LEU 15 Ca 0.20 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1wi2 s LEU 15 Cb 0.41 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 1wi2 s LEU 15 CO -0.09 0.31 1.05 -2.16 0.23 0.00 0.00 176.35 175.69 1wi2 s PRO 16 N -1.31 3.21 0.73 1.29 0.04 -1.26 -5.03 135.00 132.67 1wi2 s PRO 16 Ca 0.17 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 1wi2 s PRO 16 Cb -0.11 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1wi2 s PRO 16 CO 0.07 -0.89 1.10 -0.98 0.04 0.00 0.00 177.00 176.35 1wi2 s ARG 17 N -4.47 2.57 0.01 4.56 1.70 0.53 -4.73 118.95 119.11 1wi2 s ARG 17 Ca 0.61 0.29 0.03 0.00 -0.47 0.00 0.00 55.73 56.19 1wi2 s ARG 17 Cb -0.15 -2.03 -0.03 0.00 -0.57 0.00 0.00 34.95 32.17 1wi2 s ARG 17 CO 0.44 -1.19 -0.05 0.42 -1.08 0.00 0.00 175.30 173.84 1wi2 s ILE 18 N -3.39 3.78 -0.34 4.99 -1.09 -1.26 0.42 121.20 124.31 1wi2 s ILE 18 Ca 0.59 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1wi2 s ILE 18 Cb -0.11 -2.66 0.12 0.00 -1.58 0.00 0.00 42.46 38.23 1wi2 s ILE 18 CO 0.50 0.38 0.16 -0.69 -1.23 0.00 0.00 174.94 174.06 1wi2 s VAL 19 N -1.03 0.53 -0.09 2.92 1.01 -0.80 -4.93 120.40 118.00 1wi2 s VAL 19 Ca 0.18 -1.49 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 1wi2 s VAL 19 Cb -0.11 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1wi2 s VAL 19 CO 0.09 -0.80 0.72 -0.89 0.00 0.00 0.00 175.10 174.21 1wi2 s THR 20 N 1.41 5.02 0.40 3.92 2.01 -1.26 -3.77 115.64 123.36 1wi2 s THR 20 Ca 0.13 1.47 0.08 0.00 0.31 0.00 0.00 61.69 63.67 1wi2 s THR 20 Cb -0.20 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1wi2 s THR 20 CO -0.18 0.21 0.20 -0.76 -0.69 0.00 0.00 174.62 173.40 1wi2 s LEU 21 N 1.05 3.18 -0.22 4.42 1.02 -0.42 -4.87 118.68 122.85 1wi2 s LEU 21 Ca 0.37 -0.98 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1wi2 s LEU 21 Cb -0.18 -1.58 0.05 0.00 0.02 0.00 0.00 46.19 44.51 1wi2 s LEU 21 CO 0.17 -0.51 -0.08 -0.54 0.02 0.00 0.00 176.35 175.41 1wi2 s LYS 22 N -3.92 1.82 -0.27 1.70 -0.14 -1.26 -3.87 119.74 113.79 1wi2 s LYS 22 Ca 0.41 -0.92 -0.00 0.00 -1.36 0.00 0.00 55.97 54.10 1wi2 s LYS 22 Cb 0.02 -2.50 0.05 0.00 -1.68 0.00 0.00 37.83 33.71 1wi2 s LYS 22 CO 0.23 -0.52 -0.06 0.21 -0.76 0.00 0.00 175.35 174.46 1wi2 s LYS 23 N 1.39 2.50 0.99 1.68 2.47 -1.26 -4.82 119.74 122.68 1wi2 s LYS 23 Ca -0.04 -1.20 -0.15 0.00 -1.56 0.00 0.00 55.97 53.02 1wi2 s LYS 23 Cb -0.18 -3.01 0.18 0.00 -1.46 0.00 0.00 37.83 33.37 1wi2 s LYS 23 CO -0.07 -0.53 1.17 -1.25 0.16 0.00 0.00 175.35 174.83 1wi2 s PRO 24 N 1.22 0.51 0.01 4.03 0.04 -1.26 -4.90 135.00 134.65 1wi2 s PRO 24 Ca -0.05 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 1wi2 s PRO 24 Cb -0.19 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1wi2 s PRO 24 CO -0.04 -2.58 1.19 -1.25 0.04 0.00 0.00 177.00 174.36 1wi2 s PRO 25 N -5.45 4.41 -1.03 0.56 0.04 -1.26 -3.03 135.00 129.25 1wi2 s PRO 25 Ca 0.68 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 1wi2 s PRO 25 Cb -0.11 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wi2 s PRO 25 CO 0.54 -0.32 0.32 0.41 0.04 0.00 0.00 177.00 177.99 1wi2 n GLY 26 N 3.26 -0.11 0.99 0.56 0.00 -1.26 -5.02 105.19 103.61 1wi2 n GLY 26 Ca 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.69 0.23 -2.42 4.61 0.00 -1.17 -5.14 120.51 113.92 1wi2 n ALA 27 Ca -0.09 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 1wi2 n ALA 27 Cb 0.59 0.23 -0.13 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.59 1.76 0.00 0.00 0.00 -1.26 -4.99 119.66 112.58 1wi2 s GLN 28 Ca 0.09 -1.16 0.00 0.00 -0.00 0.00 0.00 55.36 54.29 1wi2 s GLN 28 Cb -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 33.01 30.95 1wi2 s GLN 28 CO 0.06 0.49 0.37 -0.11 0.00 0.00 0.00 175.29 176.10 1wi2 n LEU 29 N 1.23 0.00 0.00 2.60 7.94 -1.26 -4.93 117.00 122.58 1wi2 n LEU 29 Ca -0.17 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1wi2 n LEU 29 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1wi2 n LEU 29 CO 0.25 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1wi2 n GLY 30 N -0.59 0.32 3.26 -3.96 0.00 -1.26 -4.56 105.19 98.40 1wi2 n GLY 30 Ca 0.00 0.00 -0.10 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 -1.31 -0.01 -0.07 1.61 -0.71 -1.26 0.19 117.98 116.42 1wi2 s PHE 31 Ca 0.00 -0.37 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 1wi2 s PHE 31 Cb 0.00 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 1wi2 s PHE 31 CO 0.00 -0.63 -0.14 -0.80 -1.34 0.00 0.00 175.22 172.32 1wi2 s ASN 32 N -2.84 4.04 0.12 1.98 0.01 0.42 -4.94 114.94 113.73 1wi2 s ASN 32 Ca 0.04 -0.23 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 1wi2 s ASN 32 Cb 0.03 -1.09 -0.04 0.00 0.41 0.00 0.00 41.25 40.56 1wi2 s ASN 32 CO -0.11 0.29 0.09 0.27 -1.51 0.00 0.00 177.10 176.13 1wi2 s ILE 33 N -0.40 4.45 0.29 0.60 -4.36 -1.26 0.65 121.20 121.17 1wi2 s ILE 33 Ca 0.05 -0.92 -0.06 0.00 -0.26 0.00 0.00 60.65 59.45 1wi2 s ILE 33 Cb -0.12 -3.20 -0.00 0.00 1.25 0.00 0.00 42.46 40.39 1wi2 s ILE 33 CO 0.02 0.03 0.44 0.00 0.24 0.00 0.00 174.94 175.67 1wi2 s ARG 34 N -2.68 1.70 0.53 0.37 1.70 -0.89 -4.72 118.95 114.96 1wi2 s ARG 34 Ca 0.30 -1.55 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 1wi2 s ARG 34 Cb -0.11 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1wi2 s ARG 34 CO 0.22 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1wi2 n GLY 35 N -0.46 -4.28 0.00 3.88 0.00 -1.24 -1.63 105.19 101.46 1wi2 n GLY 35 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.75 0.22 0.79 -0.02 0.00 -0.94 -3.57 105.19 99.92 1wi2 n GLY 36 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wi2 n LYS 37 N 0.00 0.21 -0.16 1.61 2.85 -1.26 -4.08 118.16 117.32 1wi2 n LYS 37 Ca 0.00 -0.56 -0.05 0.00 -1.05 0.00 0.00 58.31 56.65 1wi2 n LYS 37 Cb 0.00 0.61 -0.05 0.00 -0.65 0.00 0.00 35.03 34.95 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wi2 h ALA 38 N 1.78 -0.31 -1.27 0.58 0.00 -1.99 -3.39 119.26 114.67 1wi2 h ALA 38 Ca -0.07 0.04 -0.79 0.00 0.00 0.00 0.00 54.91 54.09 1wi2 h ALA 38 Cb 0.27 1.12 0.02 0.00 0.00 0.00 0.00 17.79 19.20 1wi2 h ALA 38 CO 0.09 -0.48 0.63 -1.13 0.00 0.00 0.00 179.25 178.36 1wi2 n SER 39 N -4.00 1.47 -4.51 0.00 3.41 -1.26 -4.57 113.62 104.15 1wi2 n SER 39 Ca 0.00 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.46 1wi2 n SER 39 Cb 0.13 -1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 62.91 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wi2 n GLN 40 N 3.89 0.20 0.00 4.33 3.00 -1.26 -4.72 117.38 122.82 1wi2 n GLN 40 Ca 0.26 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1wi2 n GLN 40 Cb 0.06 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 28.46 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1wi2 n LEU 41 N 10.32 0.00 0.00 1.08 -0.00 -1.26 -5.08 117.00 122.06 1wi2 n LEU 41 Ca 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.61 1wi2 n LEU 41 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.61 1wi2 n LEU 41 CO 0.92 0.00 0.20 0.61 -0.00 0.00 0.00 177.39 179.12 1wi2 n GLY 42 N 0.00 1.11 3.64 -3.96 0.00 -1.25 -4.67 105.19 100.05 1wi2 n GLY 42 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.43 5.12 0.03 -0.61 -1.09 -1.23 -2.21 121.20 118.77 1wi2 s ILE 43 Ca 0.06 0.81 0.03 0.00 -2.23 0.00 0.00 60.65 59.32 1wi2 s ILE 43 Cb -0.01 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1wi2 s ILE 43 CO 0.01 0.15 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.41 1wi2 s PHE 44 N 1.91 0.90 -0.92 3.97 0.40 -0.65 0.63 117.98 124.22 1wi2 s PHE 44 Ca 0.20 -0.36 -0.26 0.00 -0.60 0.00 0.00 56.93 55.91 1wi2 s PHE 44 Cb -0.15 -0.54 -0.18 0.00 0.51 0.00 0.00 43.02 42.66 1wi2 s PHE 44 CO 0.09 -0.01 2.28 0.42 0.70 0.00 0.00 175.22 178.70 1wi2 s ILE 45 N -0.92 3.02 0.11 0.64 -1.09 -1.17 -2.11 121.20 119.69 1wi2 s ILE 45 Ca -0.02 -0.03 -0.34 0.00 -2.23 0.00 0.00 60.65 58.02 1wi2 s ILE 45 Cb -0.08 -3.46 -0.14 0.00 -1.58 0.00 0.00 42.46 37.21 1wi2 s ILE 45 CO 0.01 -0.05 1.56 0.77 -1.23 0.00 0.00 174.94 176.00 1wi2 h SER 46 N 12.20 -1.62 -5.15 3.58 4.64 -0.08 -3.25 113.55 123.87 1wi2 h SER 46 Ca 0.01 0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1wi2 h SER 46 Cb 1.00 0.61 -0.15 0.00 -0.31 0.00 0.00 62.40 63.55 1wi2 h SER 46 CO 1.01 -0.54 -0.43 -0.75 -0.87 0.00 0.00 176.83 175.25 1wi2 s LYS 47 N -5.77 0.77 -0.03 4.77 2.36 -0.64 -4.88 119.74 116.31 1wi2 s LYS 47 Ca -0.16 -0.94 0.02 0.00 -2.55 0.00 0.00 55.97 52.34 1wi2 s LYS 47 Cb 0.06 0.31 0.01 0.00 -1.05 0.00 0.00 37.83 37.16 1wi2 s LYS 47 CO 0.61 -0.23 -0.07 0.08 1.55 0.00 0.00 175.35 177.29 1wi2 s VAL 48 N -3.60 0.70 0.10 4.02 1.01 -1.26 0.16 120.40 121.53 1wi2 s VAL 48 Ca 0.03 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1wi2 s VAL 48 Cb 0.04 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 1wi2 s VAL 48 CO -0.09 0.24 1.52 -0.63 0.00 0.00 0.00 175.10 176.13 1wi2 s ILE 49 N 0.46 3.08 -0.80 2.22 -1.09 0.51 -4.86 121.20 120.73 1wi2 s ILE 49 Ca -0.07 0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 58.97 1wi2 s ILE 49 Cb -0.11 -3.44 -0.12 0.00 -1.58 0.00 0.00 42.46 37.21 1wi2 s ILE 49 CO 0.01 0.03 2.61 -0.81 -1.23 0.00 0.00 174.94 175.55 1wi2 n PRO 50 N 4.58 2.34 0.00 2.79 -0.04 -1.26 -2.94 135.00 140.47 1wi2 n PRO 50 Ca 0.14 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1wi2 n PRO 50 Cb 0.41 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1wi2 n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wi2 n ASP 51 N 3.47 0.00 -2.87 3.54 9.92 -1.26 -5.13 116.55 124.22 1wi2 n ASP 51 Ca 0.50 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.60 1wi2 n ASP 51 Cb 0.36 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.79 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wi2 n SER 52 N 0.00 0.60 -0.07 -2.24 3.41 -1.15 -5.03 113.62 109.14 1wi2 n SER 52 Ca 0.00 -2.45 -0.08 0.00 -0.26 0.00 0.00 58.87 56.08 1wi2 n SER 52 Cb 0.00 0.83 0.07 0.00 -0.26 0.00 0.00 64.21 64.85 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 1.17 0.78 0.19 4.04 3.32 -1.88 -3.00 116.42 121.05 1wi2 h ASP 53 Ca -0.19 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1wi2 h ASP 53 Cb 0.80 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wi2 h ASP 53 CO 0.30 1.02 -0.09 0.00 -1.72 0.00 0.00 179.24 178.75 1wi2 h ALA 54 N 1.03 -0.26 -0.91 3.45 0.00 -1.86 1.52 119.26 122.22 1wi2 h ALA 54 Ca 0.08 -0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1wi2 h ALA 54 Cb 0.81 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1wi2 h ALA 54 CO 0.07 -0.60 0.77 1.25 0.00 0.00 0.00 179.25 180.75 1wi2 h HIS 55 N -0.35 0.00 0.01 0.00 6.17 -1.73 0.69 115.15 119.94 1wi2 h HIS 55 Ca -0.03 0.00 -0.34 0.00 0.71 0.00 0.00 60.37 60.71 1wi2 h HIS 55 Cb 0.27 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.14 1wi2 h HIS 55 CO -0.04 0.00 -2.12 0.54 0.71 0.00 0.00 177.93 177.03 1wi2 n ARG 56 N -3.90 0.67 0.31 5.26 1.74 -0.60 -4.03 116.66 116.11 1wi2 n ARG 56 Ca 0.19 0.13 0.19 0.00 -0.77 0.00 0.00 57.85 57.60 1wi2 n ARG 56 Cb 1.09 -1.63 1.06 0.00 -1.02 0.00 0.00 32.46 31.95 1wi2 n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wi2 h ALA 57 N 0.89 1.28 0.00 7.54 0.00 0.82 -3.45 119.26 126.35 1wi2 h ALA 57 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wi2 h ALA 57 Cb 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1wi2 h ALA 57 CO 0.04 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1wi2 n GLY 58 N -1.21 1.10 3.77 0.00 0.00 -0.30 -4.89 105.19 103.66 1wi2 n GLY 58 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 4.28 -0.04 0.99 1.02 -0.91 -5.03 118.68 118.99 1wi2 s LEU 59 Ca 0.00 2.53 -0.02 0.00 0.02 0.00 0.00 54.13 56.66 1wi2 s LEU 59 Cb 0.00 -3.86 0.03 0.00 0.02 0.00 0.00 46.19 42.38 1wi2 s LEU 59 CO 0.00 -0.66 0.09 0.00 0.02 0.00 0.00 176.35 175.80 1wi2 s GLN 60 N -2.09 0.03 -0.60 1.70 -2.07 -1.26 -4.76 119.66 110.61 1wi2 s GLN 60 Ca 0.54 0.28 -0.34 0.00 -1.82 0.00 0.00 55.36 54.02 1wi2 s GLN 60 Cb -0.36 -0.20 -0.15 0.00 -1.09 0.00 0.00 33.01 31.21 1wi2 s GLN 60 CO 0.46 -0.16 2.38 0.39 -1.32 0.00 0.00 175.29 177.04 1wi2 n GLU 61 N 4.15 0.55 0.00 9.60 1.02 -1.26 -0.19 120.64 134.51 1wi2 n GLU 61 Ca -0.26 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1wi2 n GLU 61 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 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 6.61 1.21 3.51 0.62 0.00 -1.23 -4.70 105.19 111.20 1wi2 n GLY 62 Ca 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1wi2 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi2 n ASP 63 N 0.00 1.75 -4.70 1.61 9.92 0.74 -4.60 116.55 121.27 1wi2 n ASP 63 Ca 0.00 -0.06 -0.42 0.00 -0.53 0.00 0.00 54.79 53.78 1wi2 n ASP 63 Cb 0.00 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.13 1wi2 n ASP 63 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1wi2 s GLN 64 N 7.88 4.23 -1.03 -1.24 0.74 -1.25 -3.04 119.66 125.95 1wi2 s GLN 64 Ca 1.12 2.24 -0.20 0.00 0.05 0.00 0.00 55.36 58.56 1wi2 s GLN 64 Cb -0.66 -3.48 0.09 0.00 1.10 0.00 0.00 33.01 30.06 1wi2 s GLN 64 CO 0.39 -0.65 1.35 0.08 -0.55 0.00 0.00 175.29 175.91 1wi2 s VAL 65 N 2.19 4.34 0.03 1.34 1.01 0.20 -3.13 120.40 126.38 1wi2 s VAL 65 Ca 0.70 -1.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1wi2 s VAL 65 Cb -0.38 -4.95 -0.03 0.00 0.00 0.00 0.00 36.38 31.01 1wi2 s VAL 65 CO 0.31 -1.76 1.13 -0.07 0.00 0.00 0.00 175.10 174.71 1wi2 h LEU 66 N 11.60 -0.41 -7.99 3.92 -0.00 0.23 -3.40 115.31 119.27 1wi2 h LEU 66 Ca 0.22 0.05 -0.11 0.00 -0.00 0.00 0.00 57.88 58.04 1wi2 h LEU 66 Cb 0.99 0.16 -0.15 0.00 -0.00 0.00 0.00 40.66 41.66 1wi2 h LEU 66 CO 1.29 -0.12 -0.52 0.00 -0.00 0.00 0.00 178.44 179.09 1wi2 s ALA 67 N -4.06 0.09 -0.12 1.53 0.00 -1.11 -2.54 121.76 115.55 1wi2 s ALA 67 Ca -0.04 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1wi2 s ALA 67 Cb 0.02 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1wi2 s ALA 67 CO 0.15 -0.42 -0.14 0.08 0.00 0.00 0.00 175.76 175.43 1wi2 s VAL 68 N -3.63 1.44 -1.34 0.00 1.01 0.37 0.11 120.40 118.36 1wi2 s VAL 68 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1wi2 s VAL 68 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1wi2 s VAL 68 CO -0.09 0.43 0.00 0.59 0.00 0.00 0.00 175.10 176.03 1wi2 n ASN 69 N 4.50 -4.62 -0.20 3.32 3.02 -1.12 0.97 115.26 121.13 1wi2 n ASN 69 Ca -0.18 0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.49 1wi2 n ASN 69 Cb 0.51 -3.90 -0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -1.82 -1.82 -4.29 6.41 -0.08 -1.26 -5.03 116.55 108.66 1wi2 n ASP 70 Ca -0.18 0.01 -0.34 0.00 -1.51 0.00 0.00 54.79 52.76 1wi2 n ASP 70 Cb 0.63 -0.90 -0.14 0.00 2.34 0.00 0.00 41.12 43.05 1wi2 n ASP 70 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wi2 s VAL 71 N -2.09 3.10 -0.15 5.18 1.01 0.27 -5.06 120.40 122.66 1wi2 s VAL 71 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1wi2 s VAL 71 Cb 0.00 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 1wi2 s VAL 71 CO 0.00 0.46 2.09 -0.90 0.00 0.00 0.00 175.10 176.75 1wi2 n ASP 72 N 4.58 3.33 -0.00 3.32 5.68 -1.26 -0.48 116.55 131.72 1wi2 n ASP 72 Ca -0.19 0.56 0.09 0.00 -0.50 0.00 0.00 54.79 54.75 1wi2 n ASP 72 Cb 0.51 -1.46 -0.12 0.00 -1.14 0.00 0.00 41.12 38.90 1wi2 n ASP 72 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1wi2 n PHE 73 N 9.39 0.00 -0.46 2.11 3.01 -1.05 -4.42 117.46 126.03 1wi2 n PHE 73 Ca 0.28 0.00 0.42 0.00 1.01 0.00 0.00 57.45 59.15 1wi2 n PHE 73 Cb 0.37 -0.23 0.69 0.00 -0.01 0.00 0.00 39.48 40.31 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 -1.76 -1.08 4.20 -1.75 -3.10 115.11 111.62 1wi2 h GLN 74 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1wi2 h GLN 74 Cb 0.64 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.13 1wi2 h GLN 74 CO 0.00 0.00 -0.61 0.34 -0.67 0.00 0.00 178.83 177.89 1wi2 s ASP 75 N -4.00 0.61 0.09 1.46 -1.08 -1.26 -3.97 116.67 108.52 1wi2 s ASP 75 Ca -0.04 -1.12 -0.13 0.00 -0.52 0.00 0.00 52.55 50.73 1wi2 s ASP 75 Cb 0.22 0.90 0.02 0.00 -1.46 0.00 0.00 42.92 42.60 1wi2 s ASP 75 CO 0.73 -0.28 0.32 -0.51 0.52 0.00 0.00 175.17 175.95 1wi2 s ILE 76 N 1.82 0.09 0.15 4.11 2.07 -1.17 -5.00 121.20 123.28 1wi2 s ILE 76 Ca 0.15 -0.77 -0.30 0.00 -1.41 0.00 0.00 60.65 58.31 1wi2 s ILE 76 Cb -0.13 -1.16 -0.07 0.00 0.13 0.00 0.00 42.46 41.23 1wi2 s ILE 76 CO -0.12 -0.43 1.19 -1.61 -1.91 0.00 0.00 174.94 172.05 1wi2 s GLU 77 N -3.48 4.49 0.18 3.50 0.41 -1.26 -4.32 118.70 118.22 1wi2 s GLU 77 Ca 0.01 1.83 -0.25 0.00 -0.41 0.00 0.00 54.97 56.15 1wi2 s GLU 77 Cb 0.02 -3.27 0.05 0.00 -1.78 0.00 0.00 34.13 29.15 1wi2 s GLU 77 CO -0.09 -0.10 1.56 1.25 -0.49 0.00 0.00 175.26 177.38 1wi2 h HIS 78 N 5.60 -1.33 -0.42 1.61 -0.00 -1.86 0.21 115.15 118.96 1wi2 h HIS 78 Ca -0.44 0.09 0.08 0.00 -0.00 0.00 0.00 60.37 60.11 1wi2 h HIS 78 Cb 1.21 0.68 -0.09 0.00 -0.00 0.00 0.00 27.41 29.21 1wi2 h HIS 78 CO 0.63 -0.42 -0.30 0.77 -0.00 0.00 0.00 177.93 178.62 1wi2 h SER 79 N -0.17 -1.01 -0.24 3.26 0.02 -1.97 0.49 113.55 113.93 1wi2 h SER 79 Ca 0.20 0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 1wi2 h SER 79 Cb 0.55 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 1wi2 h SER 79 CO -0.76 -0.30 -0.33 0.50 -1.14 0.00 0.00 176.83 174.80 1wi2 h LYS 80 N -0.22 -0.33 -0.60 3.45 3.11 -1.13 1.30 116.57 122.15 1wi2 h LYS 80 Ca 0.18 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 58.16 1wi2 h LYS 80 Cb 0.52 0.08 -0.12 0.00 -1.00 0.00 0.00 32.23 31.71 1wi2 h LYS 80 CO -0.54 -0.22 -0.21 0.00 -2.81 0.00 0.00 179.45 175.67 1wi2 h ALA 81 N 0.54 0.28 0.67 5.00 0.00 0.80 1.46 119.26 128.00 1wi2 h ALA 81 Ca 0.12 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1wi2 h ALA 81 Cb 0.54 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wi2 h ALA 81 CO -0.43 -0.50 -0.32 0.28 0.00 0.00 0.00 179.25 178.28 1wi2 h VAL 82 N -0.06 0.25 -0.26 0.00 2.07 0.72 -2.37 116.25 116.61 1wi2 h VAL 82 Ca 0.28 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1wi2 h VAL 82 Cb 0.49 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 1wi2 h VAL 82 CO -0.64 0.02 -0.49 -0.33 0.02 0.00 0.00 177.57 176.15 1wi2 h GLU 83 N -1.05 -0.44 -0.23 1.57 4.39 0.27 0.34 114.58 119.42 1wi2 h GLU 83 Ca -0.09 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1wi2 h GLU 83 Cb 0.73 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1wi2 h GLU 83 CO 0.15 -0.30 -0.15 0.82 -1.16 0.00 0.00 179.01 178.37 1wi2 h ILE 84 N -0.46 0.00 -0.78 3.13 2.04 0.20 1.26 117.51 122.90 1wi2 h ILE 84 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1wi2 h ILE 84 Cb 0.63 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.58 1wi2 h ILE 84 CO -0.50 0.00 -0.38 -0.07 0.00 0.00 0.00 178.15 177.20 1wi2 h LEU 85 N -0.02 -1.37 0.09 1.44 3.38 -0.92 1.46 115.31 119.38 1wi2 h LEU 85 Ca 0.04 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1wi2 h LEU 85 Cb 0.11 0.69 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1wi2 h LEU 85 CO -0.23 -0.30 -0.18 0.11 0.09 0.00 0.00 178.44 177.93 1wi2 h LYS 86 N -0.10 -0.29 -0.04 1.13 1.57 0.14 0.87 116.57 119.86 1wi2 h LYS 86 Ca 0.27 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1wi2 h LYS 86 Cb 0.57 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1wi2 h LYS 86 CO -0.82 -0.19 0.41 1.79 -0.57 0.00 0.00 179.45 180.06 1wi2 h THR 87 N -0.30 0.03 -3.39 -0.16 1.35 0.26 -3.35 112.91 107.35 1wi2 h THR 87 Ca -0.01 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.22 1wi2 h THR 87 Cb 0.28 0.60 -0.13 0.00 -1.73 0.00 0.00 68.15 67.18 1wi2 h THR 87 CO -0.07 0.00 0.42 0.00 -0.25 0.00 0.00 175.52 175.62 1wi2 s ALA 88 N -4.13 3.24 0.17 6.62 0.00 0.49 -4.92 121.76 123.23 1wi2 s ALA 88 Ca -0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 1wi2 s ALA 88 Cb 0.08 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.73 1wi2 s ALA 88 CO 0.27 -2.15 1.64 0.07 0.00 0.00 0.00 175.76 175.60 1wi2 h ARG 89 N 9.14 -0.08 -5.22 0.00 0.11 -1.75 -3.39 114.38 113.19 1wi2 h ARG 89 Ca -0.26 0.01 -0.66 0.00 0.10 0.00 0.00 59.98 59.17 1wi2 h ARG 89 Cb 1.08 0.02 -0.27 0.00 1.11 0.00 0.00 29.97 31.91 1wi2 h ARG 89 CO 1.02 -0.05 -0.75 -1.83 0.10 0.00 0.00 179.97 178.46 1wi2 s GLU 90 N -6.17 3.39 -0.20 0.08 -1.05 -1.26 -4.36 118.70 109.13 1wi2 s GLU 90 Ca -0.14 -0.66 -0.20 0.00 -0.15 0.00 0.00 54.97 53.82 1wi2 s GLU 90 Cb 0.15 -2.76 -0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1wi2 s GLU 90 CO 0.71 0.09 0.60 0.42 0.95 0.00 0.00 175.26 178.02 1wi2 s ILE 91 N 0.70 5.05 -0.41 1.83 1.01 -1.25 -4.96 121.20 123.16 1wi2 s ILE 91 Ca -0.05 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.80 1wi2 s ILE 91 Cb -0.15 -3.91 0.27 0.00 0.01 0.00 0.00 42.46 38.67 1wi2 s ILE 91 CO 0.02 0.13 0.66 -1.20 0.00 0.00 0.00 174.94 174.55 1wi2 n SER 92 N 4.98 -0.57 -4.95 3.58 7.64 -1.26 -1.30 113.62 121.74 1wi2 n SER 92 Ca -0.02 -2.93 -0.24 0.00 1.01 0.00 0.00 58.87 56.69 1wi2 n SER 92 Cb 0.50 0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 1wi2 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wi2 s MET 93 N -0.85 3.11 -0.13 1.43 0.23 -1.25 -2.80 119.30 119.04 1wi2 s MET 93 Ca 0.34 -0.39 -0.03 0.00 -1.03 0.00 0.00 55.69 54.58 1wi2 s MET 93 Cb 0.21 -2.53 -0.03 0.00 -1.53 0.00 0.00 34.83 30.96 1wi2 s MET 93 CO -0.13 -0.28 -0.02 1.03 -2.03 0.00 0.00 175.02 173.58 1wi2 s ARG 94 N -4.59 3.40 0.36 3.16 0.52 0.30 -1.91 118.95 120.20 1wi2 s ARG 94 Ca 0.48 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.25 1wi2 s ARG 94 Cb -0.10 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 1wi2 s ARG 94 CO 0.39 0.42 0.08 0.14 0.02 0.00 0.00 175.30 176.34 1wi2 s VAL 95 N -0.11 1.01 -0.08 3.52 -7.23 0.17 0.89 120.40 118.57 1wi2 s VAL 95 Ca 0.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 1wi2 s VAL 95 Cb -0.13 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1wi2 s VAL 95 CO 0.02 0.00 0.34 -0.60 -0.31 0.00 0.00 175.10 174.55 1wi2 s ARG 96 N -3.84 0.55 -0.77 4.82 3.52 -1.18 0.20 118.95 122.25 1wi2 s ARG 96 Ca 0.31 0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.84 1wi2 s ARG 96 Cb 0.06 0.25 -0.16 0.00 -1.56 0.00 0.00 34.95 33.55 1wi2 s ARG 96 CO 0.14 -0.12 2.40 1.19 -0.81 0.00 0.00 175.30 178.10 1wi2 n PHE 97 N 2.08 1.00 -2.07 5.12 3.01 -1.26 -3.87 117.46 121.48 1wi2 n PHE 97 Ca -0.17 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 1wi2 n PHE 97 Cb 0.57 -2.27 -0.00 0.00 -0.01 0.00 0.00 39.48 37.76 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wi2 n PHE 98 N 15.39 2.79 0.00 1.38 7.35 -1.26 -4.85 117.46 138.25 1wi2 n PHE 98 Ca 0.49 -2.84 0.00 0.00 -0.76 0.00 0.00 57.45 54.34 1wi2 n PHE 98 Cb 0.38 -1.99 0.00 0.00 0.35 0.00 0.00 39.48 38.22 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1wi2 n SER 99 N 3.15 0.00 0.00 -2.13 7.64 -1.26 -4.86 113.62 116.16 1wi2 n SER 99 Ca 0.53 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1wi2 n SER 99 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1wi2 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi2 n GLY 100 N 0.00 0.47 3.78 0.23 0.00 -1.26 -5.12 105.19 103.29 1wi2 n GLY 100 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 1wi2 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi2 s PRO 101 N -2.00 0.67 0.13 1.61 0.04 -1.26 -4.91 135.00 129.28 1wi2 s PRO 101 Ca 0.00 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1wi2 s PRO 101 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wi2 s PRO 101 CO 0.00 -2.48 0.00 0.43 0.04 0.00 0.00 177.00 174.99 1wi2 n SER 102 N -3.93 0.09 -3.66 6.66 7.64 -1.26 -5.07 113.62 114.09 1wi2 n SER 102 Ca 0.09 0.22 -0.24 0.00 1.01 0.00 0.00 58.87 59.96 1wi2 n SER 102 Cb 0.59 0.12 -0.17 0.00 -1.01 0.00 0.00 64.21 63.74 1wi2 n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wi2 s SER 103 N -5.15 1.90 0.00 6.43 0.01 -1.26 -5.35 113.70 110.29 1wi2 s SER 103 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1wi2 s SER 103 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1wi2 s SER 103 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97