#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 -0.16 -0.12 1.61 1.04 -1.26 -5.19 113.70 109.63 1wi2 s SER 2 Ca 0.00 0.30 -0.33 0.00 0.48 0.00 0.00 55.95 56.40 1wi2 s SER 2 Cb 0.00 0.31 0.13 0.00 0.10 0.00 0.00 66.02 66.56 1wi2 s SER 2 CO 0.00 -0.05 1.11 -0.55 0.98 0.00 0.00 173.24 174.73 1wi2 s SER 3 N 0.09 -0.20 0.00 7.02 0.15 -1.26 -5.17 113.70 114.33 1wi2 s SER 3 Ca 0.06 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1wi2 s SER 3 Cb -0.05 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wi2 s SER 3 CO -0.13 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wi2 n GLY 4 N -0.16 2.57 3.11 9.45 0.00 -1.26 -5.09 105.19 113.82 1wi2 n GLY 4 Ca -0.03 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 -1.14 -0.14 1.61 0.15 -1.26 -5.15 113.70 107.77 1wi2 s SER 5 Ca 0.00 0.62 -0.34 0.00 0.70 0.00 0.00 55.95 56.93 1wi2 s SER 5 Cb 0.00 1.96 0.14 0.00 -1.71 0.00 0.00 66.02 66.41 1wi2 s SER 5 CO 0.00 -0.28 1.32 -0.44 1.20 0.00 0.00 173.24 175.04 1wi2 s SER 6 N 2.80 -0.06 0.00 5.45 0.01 -1.26 -5.18 113.70 115.46 1wi2 s SER 6 Ca 0.17 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wi2 s SER 6 Cb -0.14 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1wi2 s SER 6 CO -0.22 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wi2 n GLY 7 N -0.28 3.03 2.20 3.44 0.00 -1.26 -5.13 105.19 107.19 1wi2 n GLY 7 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wi2 n ASN 8 N 0.00 -8.88 0.07 1.61 4.13 -1.26 -5.05 115.26 105.87 1wi2 n ASN 8 Ca 0.00 1.67 0.00 0.00 1.68 0.00 0.00 54.58 57.93 1wi2 n ASN 8 Cb 0.00 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 33.40 1wi2 n ASN 8 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wi2 n ASN 9 N 1.67 0.35 -2.26 6.41 3.02 -1.26 -5.08 115.26 118.12 1wi2 n ASN 9 Ca 0.00 0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.69 1wi2 n ASN 9 Cb 0.00 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1wi2 n ASN 9 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1wi2 n GLU 10 N -3.18 -1.91 -1.62 3.52 4.07 -1.26 -4.92 120.64 115.34 1wi2 n GLU 10 Ca 0.00 0.41 -0.30 0.00 -0.06 0.00 0.00 57.16 57.21 1wi2 n GLU 10 Cb 0.00 -3.78 -0.04 0.00 -0.06 0.00 0.00 31.44 27.56 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wi2 n LEU 11 N -2.39 6.77 -4.70 4.31 4.77 -1.26 -4.98 117.00 119.52 1wi2 n LEU 11 Ca -0.08 -4.28 -0.37 0.00 -0.03 0.00 0.00 56.01 51.26 1wi2 n LEU 11 Cb 0.57 -1.21 0.07 0.00 -2.33 0.00 0.00 43.42 40.52 1wi2 n LEU 11 CO 0.28 1.77 0.83 0.41 -1.33 0.00 0.00 177.39 179.35 1wi2 n THR 12 N 0.68 4.43 0.00 -5.08 -1.04 -1.26 -4.78 114.28 107.23 1wi2 n THR 12 Ca 0.51 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1wi2 n THR 12 Cb 0.47 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1wi2 n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wi2 n GLN 13 N -1.94 0.00 -1.62 -2.82 10.64 -1.26 -4.97 117.38 115.40 1wi2 n GLN 13 Ca 0.15 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.28 1wi2 n GLN 13 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 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 -0.39 -0.61 -3.23 2.61 3.72 -1.26 -5.13 117.46 113.16 1wi2 n PHE 14 Ca 0.00 -0.94 -0.27 0.00 -0.05 0.00 0.00 57.45 56.19 1wi2 n PHE 14 Cb 0.00 0.77 -0.02 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.43 3.97 1.10 4.37 1.43 -1.26 -5.09 118.68 121.77 1wi2 s LEU 15 Ca 0.06 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.63 1wi2 s LEU 15 Cb 0.18 -3.51 0.26 0.00 0.03 0.00 0.00 46.19 43.14 1wi2 s LEU 15 CO -0.05 -0.30 1.23 -2.16 0.23 0.00 0.00 176.35 175.30 1wi2 s PRO 16 N -4.03 -0.46 0.03 1.29 0.04 -1.26 -4.90 135.00 125.71 1wi2 s PRO 16 Ca 0.43 -0.31 -0.01 0.00 0.04 0.00 0.00 61.00 61.14 1wi2 s PRO 16 Cb -0.10 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1wi2 s PRO 16 CO 0.35 -3.16 -0.00 -0.98 0.04 0.00 0.00 177.00 173.24 1wi2 s ARG 17 N -5.70 0.47 -0.13 4.56 1.70 -0.11 -5.01 118.95 114.73 1wi2 s ARG 17 Ca 0.74 -0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 55.10 1wi2 s ARG 17 Cb -0.06 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1wi2 s ARG 17 CO 0.55 -0.09 0.04 0.42 -1.08 0.00 0.00 175.30 175.13 1wi2 s ILE 18 N -2.57 4.58 -0.40 4.99 -1.09 -1.26 -0.74 121.20 124.71 1wi2 s ILE 18 Ca -0.06 -0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1wi2 s ILE 18 Cb -0.02 -2.99 0.11 0.00 -1.58 0.00 0.00 42.46 37.98 1wi2 s ILE 18 CO -0.05 0.55 0.13 -0.69 -1.23 0.00 0.00 174.94 173.65 1wi2 s VAL 19 N -0.36 2.23 -0.17 2.92 1.01 -0.52 -4.98 120.40 120.53 1wi2 s VAL 19 Ca 0.08 -2.61 -0.16 0.00 0.00 0.00 0.00 61.98 59.29 1wi2 s VAL 19 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1wi2 s VAL 19 CO 0.02 -0.69 0.39 -0.89 0.00 0.00 0.00 175.10 173.93 1wi2 s THR 20 N 0.53 5.23 0.39 3.92 2.01 -1.26 -3.56 115.64 122.89 1wi2 s THR 20 Ca 0.13 0.72 0.08 0.00 0.31 0.00 0.00 61.69 62.93 1wi2 s THR 20 Cb -0.22 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wi2 s THR 20 CO -0.06 0.31 0.24 -0.76 -0.69 0.00 0.00 174.62 173.66 1wi2 s LEU 21 N 0.92 3.28 -0.12 4.42 1.02 -1.12 -4.97 118.68 122.12 1wi2 s LEU 21 Ca 0.20 -0.85 -0.07 0.00 0.02 0.00 0.00 54.13 53.43 1wi2 s LEU 21 Cb -0.14 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1wi2 s LEU 21 CO 0.07 -0.51 -0.17 0.29 0.02 0.00 0.00 176.35 176.06 1wi2 n LYS 22 N -1.33 0.27 -2.10 1.70 5.02 -1.26 -3.46 118.16 117.01 1wi2 n LYS 22 Ca -0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1wi2 n LYS 22 Cb 0.62 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1wi2 n LYS 23 N -3.61 -5.50 -1.54 1.97 4.81 -1.26 -4.78 118.16 108.25 1wi2 n LYS 23 Ca -0.25 3.91 -0.29 0.00 -0.87 0.00 0.00 58.31 60.82 1wi2 n LYS 23 Cb 0.65 -4.31 0.15 0.00 0.02 0.00 0.00 35.03 31.54 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wi2 s PRO 24 N -0.66 0.94 -0.52 1.64 0.04 -1.26 -4.95 135.00 130.22 1wi2 s PRO 24 Ca 0.00 0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 1wi2 s PRO 24 Cb 0.00 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1wi2 s PRO 24 CO 0.00 -2.32 1.47 -1.25 0.04 0.00 0.00 177.00 174.94 1wi2 s PRO 25 N -5.34 3.31 0.00 0.56 0.04 -1.26 -2.56 135.00 129.76 1wi2 s PRO 25 Ca 0.65 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1wi2 s PRO 25 Cb -0.14 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1wi2 s PRO 25 CO 0.53 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1wi2 n GLY 26 N 5.26 1.68 3.94 0.56 0.00 -1.26 -5.11 105.19 110.26 1wi2 n GLY 26 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.59 -0.62 4.61 0.00 -1.06 -5.03 121.76 121.25 1wi2 s ALA 27 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1wi2 s ALA 27 Cb 0.00 -2.31 0.36 0.00 0.00 0.00 0.00 23.12 21.17 1wi2 s ALA 27 CO 0.00 -0.52 1.17 0.00 0.00 0.00 0.00 175.76 176.41 1wi2 n GLN 28 N -2.25 3.56 0.00 0.00 10.64 -1.26 -4.98 117.38 123.08 1wi2 n GLN 28 Ca 0.02 -4.68 0.00 0.00 -1.83 0.00 0.00 57.00 50.52 1wi2 n GLN 28 Cb 0.57 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1wi2 n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1wi2 n LEU 29 N -0.30 0.00 0.00 2.61 -0.00 -1.26 -4.22 117.00 113.83 1wi2 n LEU 29 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1wi2 n LEU 29 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1wi2 n LEU 29 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 1wi2 n GLY 30 N 0.00 0.91 3.70 -3.96 0.00 -1.26 -4.69 105.19 99.90 1wi2 n GLY 30 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.73 -0.23 0.07 1.61 -0.12 -1.26 0.19 117.98 116.51 1wi2 s PHE 31 Ca 0.00 -0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.89 1wi2 s PHE 31 Cb 0.00 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1wi2 s PHE 31 CO 0.00 -0.90 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.22 1wi2 s ASN 32 N -2.84 3.37 0.18 1.98 0.01 0.46 -4.92 114.94 113.17 1wi2 s ASN 32 Ca 0.09 -0.60 0.05 0.00 -0.71 0.00 0.00 52.86 51.69 1wi2 s ASN 32 Cb -0.03 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 1wi2 s ASN 32 CO -0.00 0.23 0.17 0.27 -1.51 0.00 0.00 177.10 176.26 1wi2 s ILE 33 N -0.92 4.60 0.13 0.60 -4.36 -1.26 0.12 121.20 120.11 1wi2 s ILE 33 Ca 0.13 -1.09 -0.17 0.00 -0.26 0.00 0.00 60.65 59.26 1wi2 s ILE 33 Cb -0.10 -3.38 0.04 0.00 1.25 0.00 0.00 42.46 40.27 1wi2 s ILE 33 CO 0.04 -0.16 0.43 0.00 0.24 0.00 0.00 174.94 175.50 1wi2 s ARG 34 N -3.27 1.10 0.24 0.37 1.70 -0.49 -4.66 118.95 113.93 1wi2 s ARG 34 Ca 0.32 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.91 1wi2 s ARG 34 Cb -0.10 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1wi2 s ARG 34 CO 0.24 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.44 1wi2 n GLY 35 N -0.24 -3.08 0.00 3.88 0.00 -1.25 0.02 105.19 104.52 1wi2 n GLY 35 Ca -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.49 -0.39 3.49 -0.02 0.00 -0.17 -3.45 105.19 102.16 1wi2 n GLY 36 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wi2 s LYS 37 N 0.00 1.70 -1.37 1.61 -0.14 -1.26 -4.54 119.74 115.74 1wi2 s LYS 37 Ca 0.00 -1.90 -0.11 0.00 -1.36 0.00 0.00 55.97 52.59 1wi2 s LYS 37 Cb 0.00 -1.29 0.11 0.00 -1.68 0.00 0.00 37.83 34.96 1wi2 s LYS 37 CO 0.00 -0.01 2.06 0.00 -0.76 0.00 0.00 175.35 176.64 1wi2 n ALA 38 N -0.72 5.52 -2.70 5.17 0.00 -1.26 -4.00 120.51 122.52 1wi2 n ALA 38 Ca -0.05 -4.11 -0.05 0.00 0.00 0.00 0.00 53.44 49.24 1wi2 n ALA 38 Cb 0.65 -3.23 0.11 0.00 0.00 0.00 0.00 19.45 16.98 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 4.79 -1.02 -3.24 0.00 2.88 -1.26 -5.00 113.62 110.77 1wi2 n SER 39 Ca 0.46 -2.35 -0.15 0.00 -1.33 0.00 0.00 58.87 55.50 1wi2 n SER 39 Cb 0.37 0.57 0.07 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.91 -2.97 0.00 -1.46 6.02 -1.26 -5.01 117.38 111.79 1wi2 n GLN 40 Ca -0.06 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1wi2 n GLN 40 Cb 0.85 -5.75 0.00 0.00 1.02 0.00 0.00 30.24 26.37 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wi2 n LEU 41 N -3.35 0.00 0.00 1.08 7.94 -1.26 -5.09 117.00 116.33 1wi2 n LEU 41 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1wi2 n LEU 41 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1wi2 n LEU 41 CO 0.58 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 1wi2 n GLY 42 N 0.00 -0.53 3.78 -3.96 0.00 -1.26 -4.75 105.19 98.46 1wi2 n GLY 42 Ca 0.00 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.02 4.75 0.02 -0.61 -1.09 -1.22 -1.00 121.20 119.01 1wi2 s ILE 43 Ca 0.00 1.34 -0.02 0.00 -2.23 0.00 0.00 60.65 59.74 1wi2 s ILE 43 Cb 0.00 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1wi2 s ILE 43 CO 0.00 0.48 0.02 -0.36 -1.23 0.00 0.00 174.94 173.85 1wi2 s PHE 44 N -0.66 0.20 -0.70 3.97 0.40 0.10 -0.97 117.98 120.32 1wi2 s PHE 44 Ca 0.32 -0.42 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 1wi2 s PHE 44 Cb -0.20 -0.15 -0.09 0.00 0.51 0.00 0.00 43.02 43.10 1wi2 s PHE 44 CO 0.20 -0.22 2.27 0.42 0.70 0.00 0.00 175.22 178.59 1wi2 s ILE 45 N -1.46 3.12 0.06 0.64 -1.09 -1.05 -1.40 121.20 120.02 1wi2 s ILE 45 Ca -0.15 -0.04 -0.35 0.00 -2.23 0.00 0.00 60.65 57.88 1wi2 s ILE 45 Cb -0.09 -3.29 -0.19 0.00 -1.58 0.00 0.00 42.46 37.30 1wi2 s ILE 45 CO -0.00 -0.28 1.53 -1.28 -1.23 0.00 0.00 174.94 173.68 1wi2 h SER 46 N 14.83 -0.96 -5.02 3.58 0.87 0.64 -3.02 113.55 124.47 1wi2 h SER 46 Ca -0.09 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1wi2 h SER 46 Cb 1.10 0.25 -0.19 0.00 -0.44 0.00 0.00 62.40 63.12 1wi2 h SER 46 CO 1.11 -0.66 -0.44 -0.75 -0.53 0.00 0.00 176.83 175.55 1wi2 s LYS 47 N -5.84 0.57 -0.04 2.24 2.20 -0.92 -4.84 119.74 113.12 1wi2 s LYS 47 Ca -0.18 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1wi2 s LYS 47 Cb 0.02 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1wi2 s LYS 47 CO 0.59 -0.15 -0.10 0.08 -0.36 0.00 0.00 175.35 175.41 1wi2 s VAL 48 N -1.82 0.91 0.04 4.02 1.01 -1.26 0.17 120.40 123.47 1wi2 s VAL 48 Ca -0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1wi2 s VAL 48 Cb -0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 1wi2 s VAL 48 CO -0.00 0.29 1.62 -0.63 0.00 0.00 0.00 175.10 176.37 1wi2 s ILE 49 N 0.32 3.23 -1.07 2.22 -1.09 0.50 -4.86 121.20 120.47 1wi2 s ILE 49 Ca -0.06 0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 58.90 1wi2 s ILE 49 Cb -0.11 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.30 1wi2 s ILE 49 CO 0.01 -0.01 2.52 -0.81 -1.23 0.00 0.00 174.94 175.42 1wi2 n PRO 50 N 5.85 2.62 0.00 2.79 -0.04 -1.26 -2.76 135.00 142.20 1wi2 n PRO 50 Ca 0.16 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1wi2 n PRO 50 Cb 0.41 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 3.77 0.00 -2.04 3.54 8.00 -1.26 -5.13 116.55 123.43 1wi2 n ASP 51 Ca 0.56 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 56.01 1wi2 n ASP 51 Cb 0.24 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wi2 n SER 52 N 0.00 1.36 0.09 -2.24 3.41 -1.11 -5.03 113.62 110.10 1wi2 n SER 52 Ca 0.00 -1.36 -0.09 0.00 -0.26 0.00 0.00 58.87 57.16 1wi2 n SER 52 Cb 0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.25 0.22 -0.17 4.04 3.32 -1.89 -3.18 116.42 119.00 1wi2 h ASP 53 Ca -0.06 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1wi2 h ASP 53 Cb 0.20 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wi2 h ASP 53 CO 0.09 1.02 -0.05 0.00 -1.72 0.00 0.00 179.24 178.58 1wi2 h ALA 54 N 0.97 0.23 -0.41 3.45 0.00 -1.87 1.36 119.26 122.99 1wi2 h ALA 54 Ca -0.04 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1wi2 h ALA 54 Cb 1.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1wi2 h ALA 54 CO 0.14 0.00 0.43 1.25 0.00 0.00 0.00 179.25 181.07 1wi2 h HIS 55 N 0.02 0.00 0.00 0.00 6.17 -1.75 0.10 115.15 119.70 1wi2 h HIS 55 Ca 0.04 0.00 -0.37 0.00 0.71 0.00 0.00 60.37 60.75 1wi2 h HIS 55 Cb 0.50 0.00 -0.07 0.00 2.52 0.00 0.00 27.41 30.36 1wi2 h HIS 55 CO 0.06 0.00 -2.33 0.54 0.71 0.00 0.00 177.93 176.91 1wi2 n ARG 56 N -3.77 0.68 0.32 5.26 1.74 -0.92 -4.14 116.66 115.84 1wi2 n ARG 56 Ca 0.07 0.06 0.20 0.00 -0.77 0.00 0.00 57.85 57.41 1wi2 n ARG 56 Cb 0.61 -1.55 1.05 0.00 -1.02 0.00 0.00 32.46 31.55 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 0.79 1.21 0.00 7.54 0.00 0.43 -3.44 119.26 125.79 1wi2 h ALA 57 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wi2 h ALA 57 Cb 2.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1wi2 h ALA 57 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1wi2 n GLY 58 N -1.17 1.59 3.85 0.00 0.00 -0.59 -4.90 105.19 103.96 1wi2 n GLY 58 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 4.37 -0.06 0.99 1.02 -0.57 -5.05 118.68 119.38 1wi2 s LEU 59 Ca 0.00 1.02 -0.06 0.00 0.02 0.00 0.00 54.13 55.11 1wi2 s LEU 59 Cb 0.00 -3.12 0.02 0.00 0.02 0.00 0.00 46.19 43.11 1wi2 s LEU 59 CO 0.00 0.15 0.16 0.00 0.02 0.00 0.00 176.35 176.68 1wi2 s GLN 60 N -1.81 0.19 -0.44 1.70 -2.07 -1.26 -4.69 119.66 111.27 1wi2 s GLN 60 Ca 0.35 0.22 -0.28 0.00 -1.82 0.00 0.00 55.36 53.83 1wi2 s GLN 60 Cb -0.15 0.09 -0.09 0.00 -1.09 0.00 0.00 33.01 31.77 1wi2 s GLN 60 CO 0.18 -0.02 2.36 0.39 -1.32 0.00 0.00 175.29 176.88 1wi2 n GLU 61 N 3.01 1.20 0.00 9.60 1.02 -1.26 -2.46 120.64 131.74 1wi2 n GLU 61 Ca -0.13 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1wi2 n GLU 61 Cb 0.59 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 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 6.08 1.08 3.18 0.62 0.00 -1.14 -5.03 105.19 109.99 1wi2 n GLY 62 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 4.68 0.04 1.61 1.11 -1.03 -4.58 116.67 116.51 1wi2 s ASP 63 Ca 0.00 -1.12 -0.30 0.00 0.18 0.00 0.00 52.55 51.31 1wi2 s ASP 63 Cb 0.00 -1.69 -0.07 0.00 1.07 0.00 0.00 42.92 42.22 1wi2 s ASP 63 CO 0.00 -0.21 1.55 -1.58 1.18 0.00 0.00 175.17 176.11 1wi2 s GLN 64 N 1.28 4.23 -0.73 8.23 0.74 -1.25 -2.52 119.66 129.63 1wi2 s GLN 64 Ca -0.03 2.18 -0.18 0.00 0.05 0.00 0.00 55.36 57.39 1wi2 s GLN 64 Cb -0.19 -3.59 0.14 0.00 1.10 0.00 0.00 33.01 30.47 1wi2 s GLN 64 CO -0.02 -0.67 0.83 0.08 -0.55 0.00 0.00 175.29 174.95 1wi2 s VAL 65 N 2.55 4.98 0.04 1.34 1.01 -0.15 -3.14 120.40 127.03 1wi2 s VAL 65 Ca 0.70 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1wi2 s VAL 65 Cb -0.36 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.39 1wi2 s VAL 65 CO 0.30 -1.20 1.22 -0.07 0.00 0.00 0.00 175.10 175.35 1wi2 h LEU 66 N 9.57 -0.58 -8.61 3.92 3.38 -0.20 -3.40 115.31 119.39 1wi2 h LEU 66 Ca -0.09 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 1wi2 h LEU 66 Cb 1.06 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 1wi2 h LEU 66 CO 1.02 -0.25 -0.65 0.00 0.09 0.00 0.00 178.44 178.65 1wi2 s ALA 67 N -4.31 1.24 -0.20 1.53 0.00 -1.22 -2.18 121.76 116.63 1wi2 s ALA 67 Ca -0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 1wi2 s ALA 67 Cb 0.02 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.97 1wi2 s ALA 67 CO 0.24 -0.41 0.08 0.08 0.00 0.00 0.00 175.76 175.75 1wi2 s VAL 68 N -3.82 0.18 -1.27 0.00 1.01 0.27 -0.50 120.40 116.27 1wi2 s VAL 68 Ca 0.27 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1wi2 s VAL 68 Cb 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1wi2 s VAL 68 CO 0.05 -0.34 1.00 0.59 0.00 0.00 0.00 175.10 176.40 1wi2 n ASN 69 N 5.17 -3.12 0.00 3.32 3.02 -0.79 -1.98 115.26 120.88 1wi2 n ASN 69 Ca -0.07 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1wi2 n ASN 69 Cb 0.47 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 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 -3.08 0.00 -4.68 6.41 -0.08 -1.26 -4.94 116.55 108.93 1wi2 n ASP 70 Ca -0.20 0.00 -0.49 0.00 -1.51 0.00 0.00 54.79 52.59 1wi2 n ASP 70 Cb 0.64 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.05 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 0.40 -2.34 5.18 0.31 -0.84 -4.89 118.33 116.16 1wi2 n VAL 71 Ca 0.00 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1wi2 n VAL 71 Cb 0.00 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1wi2 n VAL 71 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1wi2 s ASP 72 N 3.20 7.00 0.00 4.52 1.11 -1.26 0.97 116.67 132.21 1wi2 s ASP 72 Ca 0.90 2.13 0.22 0.00 0.18 0.00 0.00 52.55 55.98 1wi2 s ASP 72 Cb -0.74 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 40.64 1wi2 s ASP 72 CO 0.50 -0.52 1.04 0.49 1.18 0.00 0.00 175.17 177.87 1wi2 n PHE 73 N 3.82 0.00 -0.09 4.23 3.01 -0.92 -4.26 117.46 123.24 1wi2 n PHE 73 Ca 0.09 0.00 0.26 0.00 1.01 0.00 0.00 57.45 58.81 1wi2 n PHE 73 Cb 0.45 -0.07 0.64 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.04 0.00 -1.68 -1.08 4.20 -1.74 -3.05 115.11 111.80 1wi2 h GLN 74 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1wi2 h GLN 74 Cb 0.50 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.01 1wi2 h GLN 74 CO 0.00 0.00 -0.70 0.34 -0.67 0.00 0.00 178.83 177.80 1wi2 s ASP 75 N -4.52 0.11 0.09 1.46 2.15 -1.26 -4.53 116.67 110.17 1wi2 s ASP 75 Ca -0.04 -2.12 -0.05 0.00 0.43 0.00 0.00 52.55 50.78 1wi2 s ASP 75 Cb 0.16 0.80 -0.02 0.00 -0.30 0.00 0.00 42.92 43.56 1wi2 s ASP 75 CO 0.56 -0.14 0.10 -0.51 -0.17 0.00 0.00 175.17 175.00 1wi2 s ILE 76 N 0.76 0.15 0.37 4.11 2.07 -1.15 -5.02 121.20 122.49 1wi2 s ILE 76 Ca 0.27 -1.57 -0.23 0.00 -1.41 0.00 0.00 60.65 57.72 1wi2 s ILE 76 Cb -0.02 -1.60 -0.10 0.00 0.13 0.00 0.00 42.46 40.86 1wi2 s ILE 76 CO -0.10 -0.69 0.93 -1.61 -1.91 0.00 0.00 174.94 171.56 1wi2 s GLU 77 N -3.93 4.38 0.07 3.50 0.41 -1.26 -4.78 118.70 117.08 1wi2 s GLU 77 Ca 0.11 1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 55.56 1wi2 s GLU 77 Cb 0.06 -2.50 -0.14 0.00 -1.78 0.00 0.00 34.13 29.77 1wi2 s GLU 77 CO -0.07 0.13 1.45 1.25 -0.49 0.00 0.00 175.26 177.54 1wi2 h HIS 78 N 2.55 -1.14 -1.00 1.61 -0.00 -1.92 0.86 115.15 116.11 1wi2 h HIS 78 Ca -0.48 0.01 0.20 0.00 -0.00 0.00 0.00 60.37 60.10 1wi2 h HIS 78 Cb 1.19 0.44 -0.10 0.00 -0.00 0.00 0.00 27.41 28.93 1wi2 h HIS 78 CO 0.62 -0.56 0.61 0.77 -0.00 0.00 0.00 177.93 179.38 1wi2 h SER 79 N -0.84 0.73 0.04 3.26 0.02 -1.98 0.33 113.55 115.10 1wi2 h SER 79 Ca -0.06 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wi2 h SER 79 Cb 0.72 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1wi2 h SER 79 CO -0.03 0.24 -0.02 0.50 -1.14 0.00 0.00 176.83 176.38 1wi2 h LYS 80 N 0.70 -0.05 -0.83 3.45 1.63 -1.74 0.46 116.57 120.20 1wi2 h LYS 80 Ca 0.58 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.46 1wi2 h LYS 80 Cb 0.98 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.55 1wi2 h LYS 80 CO -0.36 0.18 0.49 0.00 -3.45 0.00 0.00 179.45 176.31 1wi2 h ALA 81 N 0.69 1.17 -0.13 5.00 0.00 0.28 1.25 119.26 127.52 1wi2 h ALA 81 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wi2 h ALA 81 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wi2 h ALA 81 CO 0.01 0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.70 1wi2 h VAL 82 N 0.85 1.24 0.62 0.00 2.07 -0.19 -2.34 116.25 118.51 1wi2 h VAL 82 Ca 0.39 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1wi2 h VAL 82 Cb 0.29 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1wi2 h VAL 82 CO -0.22 0.23 -0.30 -0.33 0.02 0.00 0.00 177.57 176.97 1wi2 h GLU 83 N -0.03 -0.80 -0.90 1.57 4.39 0.93 -1.92 114.58 117.81 1wi2 h GLU 83 Ca 0.04 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.90 1wi2 h GLU 83 Cb 0.34 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.05 1wi2 h GLU 83 CO 0.01 -0.51 -0.51 0.82 -1.16 0.00 0.00 179.01 177.66 1wi2 h ILE 84 N -0.91 0.01 -0.06 3.13 2.04 0.15 1.44 117.51 123.31 1wi2 h ILE 84 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1wi2 h ILE 84 Cb 0.66 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1wi2 h ILE 84 CO 0.14 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.85 1wi2 h LEU 85 N -0.06 -1.15 0.00 1.44 3.38 -1.32 0.97 115.31 118.56 1wi2 h LEU 85 Ca 0.21 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wi2 h LEU 85 Cb 0.50 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wi2 h LEU 85 CO -0.90 -0.34 -0.00 0.11 0.09 0.00 0.00 178.44 177.40 1wi2 h LYS 86 N -0.41 -0.01 -0.94 1.13 1.57 -0.16 -1.51 116.57 116.25 1wi2 h LYS 86 Ca 0.02 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.14 1wi2 h LYS 86 Cb 0.47 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.61 1wi2 h LYS 86 CO -0.28 -0.00 0.32 0.25 -0.57 0.00 0.00 179.45 179.16 1wi2 n THR 87 N -2.45 -0.39 -2.13 -0.16 -2.24 0.47 -3.80 114.28 103.58 1wi2 n THR 87 Ca -0.00 1.96 -0.42 0.00 -2.27 0.00 0.00 64.05 63.32 1wi2 n THR 87 Cb 0.00 -3.05 -0.03 0.00 -2.10 0.00 0.00 70.33 65.15 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi2 s ALA 88 N -5.61 2.72 0.22 6.98 0.00 0.33 -4.86 121.76 121.54 1wi2 s ALA 88 Ca -0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 1wi2 s ALA 88 Cb 0.30 -4.09 0.27 0.00 0.00 0.00 0.00 23.12 19.61 1wi2 s ALA 88 CO 0.73 -2.95 1.60 0.07 0.00 0.00 0.00 175.76 175.21 1wi2 h ARG 89 N 12.73 -0.02 -5.32 0.00 0.11 -1.77 -3.38 114.38 116.72 1wi2 h ARG 89 Ca -0.29 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.11 1wi2 h ARG 89 Cb 1.14 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.92 1wi2 h ARG 89 CO 1.11 -0.01 -0.84 -1.83 0.10 0.00 0.00 179.97 178.50 1wi2 s GLU 90 N -6.21 3.16 0.35 0.08 -1.05 -1.26 -4.80 118.70 108.98 1wi2 s GLU 90 Ca -0.14 -0.81 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 1wi2 s GLU 90 Cb 0.21 -2.42 -0.10 0.00 -0.44 0.00 0.00 34.13 31.38 1wi2 s GLU 90 CO 0.74 0.18 0.83 0.42 0.95 0.00 0.00 175.26 178.38 1wi2 s ILE 91 N 0.37 4.54 -0.45 1.83 1.01 -1.22 -4.95 121.20 122.32 1wi2 s ILE 91 Ca -0.16 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.77 1wi2 s ILE 91 Cb -0.17 -3.65 0.29 0.00 0.01 0.00 0.00 42.46 38.94 1wi2 s ILE 91 CO 0.07 -0.18 1.07 -0.24 0.00 0.00 0.00 174.94 175.66 1wi2 n SER 92 N -0.32 -2.40 -4.94 3.58 2.88 -1.26 -2.77 113.62 108.38 1wi2 n SER 92 Ca 0.04 -3.33 -0.24 0.00 -1.33 0.00 0.00 58.87 54.02 1wi2 n SER 92 Cb 0.53 1.78 -0.01 0.00 -0.75 0.00 0.00 64.21 65.76 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 0.39 3.44 -0.31 -1.46 0.23 -1.23 -1.88 119.30 118.47 1wi2 s MET 93 Ca 0.26 -0.38 -0.06 0.00 -1.03 0.00 0.00 55.69 54.48 1wi2 s MET 93 Cb 0.27 -2.66 0.03 0.00 -1.53 0.00 0.00 34.83 30.93 1wi2 s MET 93 CO -0.13 0.12 0.07 0.50 -2.03 0.00 0.00 175.02 173.55 1wi2 s ARG 94 N -4.33 2.81 0.47 3.16 3.52 0.35 -1.44 118.95 123.48 1wi2 s ARG 94 Ca 0.41 -1.04 0.07 0.00 -0.13 0.00 0.00 55.73 55.03 1wi2 s ARG 94 Cb -0.10 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1wi2 s ARG 94 CO 0.36 -0.55 0.35 0.14 -0.81 0.00 0.00 175.30 174.79 1wi2 s VAL 95 N 1.42 2.17 -0.02 7.11 -7.23 0.08 0.55 120.40 124.48 1wi2 s VAL 95 Ca -0.00 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1wi2 s VAL 95 Cb -0.18 -2.64 0.09 0.00 0.56 0.00 0.00 36.38 34.20 1wi2 s VAL 95 CO 0.02 0.00 0.75 -0.60 -0.31 0.00 0.00 175.10 174.96 1wi2 s ARG 96 N -4.15 0.98 -0.99 4.82 3.52 -1.19 -0.94 118.95 121.00 1wi2 s ARG 96 Ca 0.41 0.01 -0.24 0.00 -0.13 0.00 0.00 55.73 55.79 1wi2 s ARG 96 Cb -0.01 0.46 -0.06 0.00 -1.56 0.00 0.00 34.95 33.78 1wi2 s ARG 96 CO 0.24 -0.35 1.93 0.12 -0.81 0.00 0.00 175.30 176.43 1wi2 s PHE 97 N -1.95 1.87 -1.29 5.12 5.36 -1.26 -3.89 117.98 121.95 1wi2 s PHE 97 Ca -0.05 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 56.39 1wi2 s PHE 97 Cb -0.00 -4.05 0.15 0.00 -0.34 0.00 0.00 43.02 38.78 1wi2 s PHE 97 CO 0.01 -1.58 2.11 0.34 -1.46 0.00 0.00 175.22 174.64 1wi2 n PHE 98 N 13.98 2.72 -2.71 10.12 7.35 -1.26 -4.60 117.46 143.06 1wi2 n PHE 98 Ca 0.42 -2.79 -0.00 0.00 -0.76 0.00 0.00 57.45 54.32 1wi2 n PHE 98 Cb 0.47 -1.84 0.02 0.00 0.35 0.00 0.00 39.48 38.48 1wi2 n PHE 98 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1wi2 s SER 99 N 0.42 -0.24 0.29 -2.13 0.15 -1.26 -4.95 113.70 105.98 1wi2 s SER 99 Ca 0.46 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1wi2 s SER 99 Cb 0.14 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1wi2 s SER 99 CO -0.04 -0.02 0.51 -0.83 1.20 0.00 0.00 173.24 174.06 1wi2 s GLY 100 N 1.55 1.61 0.22 9.45 0.00 -1.26 -5.01 107.32 113.87 1wi2 s GLY 100 Ca 0.18 -0.79 0.09 0.00 0.00 0.00 0.00 44.72 44.21 1wi2 s GLY 100 CO -0.13 -0.72 1.49 -0.56 0.00 0.00 0.00 173.10 173.18 1wi2 h PRO 101 N 1.35 0.00 -6.57 2.90 0.13 -2.02 -3.44 132.00 124.36 1wi2 h PRO 101 Ca -0.49 -0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1wi2 h PRO 101 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wi2 h PRO 101 CO 0.64 0.76 0.55 0.45 -0.23 0.00 0.00 178.00 180.17 1wi2 s SER 102 N -6.80 7.11 0.48 1.44 0.15 -1.26 -4.80 113.70 110.02 1wi2 s SER 102 Ca -0.01 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.74 1wi2 s SER 102 Cb 0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wi2 s SER 102 CO 0.78 -0.40 0.00 -1.20 1.20 0.00 0.00 173.24 173.63 1wi2 n SER 103 N 3.23 -6.90 0.00 5.45 7.64 -1.26 -5.15 113.62 116.62 1wi2 n SER 103 Ca 0.06 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1wi2 n SER 103 Cb 0.46 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64