#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 -0.51 0.17 1.61 0.15 -1.26 -5.17 113.70 108.70 1wi2 s SER 2 Ca 0.00 0.71 0.05 0.00 0.70 0.00 0.00 55.95 57.40 1wi2 s SER 2 Cb 0.00 1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 65.83 1wi2 s SER 2 CO 0.00 -0.10 0.20 -0.94 1.20 0.00 0.00 173.24 173.60 1wi2 s SER 3 N 2.31 5.81 -0.01 5.45 1.04 -1.26 -4.92 113.70 122.13 1wi2 s SER 3 Ca -0.03 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 1wi2 s SER 3 Cb -0.05 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1wi2 s SER 3 CO -0.17 0.04 0.01 0.61 0.98 0.00 0.00 173.24 174.72 1wi2 n GLY 4 N -0.57 -3.43 3.79 7.32 0.00 -1.26 -5.04 105.19 106.00 1wi2 n GLY 4 Ca -0.08 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.13 5.87 -0.46 1.61 0.01 -1.26 -5.05 113.70 114.29 1wi2 s SER 5 Ca -0.02 0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1wi2 s SER 5 Cb 0.00 -1.81 0.20 0.00 0.21 0.00 0.00 66.02 64.62 1wi2 s SER 5 CO 0.04 0.39 0.61 -1.54 0.41 0.00 0.00 173.24 173.15 1wi2 n SER 6 N 2.10 -1.99 0.00 2.44 3.41 -1.26 -5.07 113.62 113.25 1wi2 n SER 6 Ca -0.19 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1wi2 n SER 6 Cb 0.54 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 1wi2 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi2 n GLY 7 N 2.52 0.23 3.57 5.00 0.00 -1.26 -5.12 105.19 110.13 1wi2 n GLY 7 Ca 0.21 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 -0.02 1.61 2.47 -1.26 -5.18 114.94 108.17 1wi2 s ASN 8 Ca 0.00 -0.15 -0.27 0.00 0.42 0.00 0.00 52.86 52.86 1wi2 s ASN 8 Cb 0.00 0.52 0.06 0.00 -1.45 0.00 0.00 41.25 40.38 1wi2 s ASN 8 CO 0.00 -0.88 0.59 0.21 -3.72 0.00 0.00 177.10 173.30 1wi2 s ASN 9 N -2.71 -0.55 -0.30 -4.21 3.84 -1.26 -5.16 114.94 104.59 1wi2 s ASN 9 Ca 0.06 0.51 -0.09 0.00 0.21 0.00 0.00 52.86 53.55 1wi2 s ASN 9 Cb -0.02 0.50 0.14 0.00 -0.55 0.00 0.00 41.25 41.32 1wi2 s ASN 9 CO -0.06 -0.61 0.66 -0.70 -2.79 0.00 0.00 177.10 173.59 1wi2 s GLU 10 N -1.50 0.57 -0.45 0.43 2.12 -1.26 -5.09 118.70 113.52 1wi2 s GLU 10 Ca -0.10 1.38 0.05 0.00 0.36 0.00 0.00 54.97 56.66 1wi2 s GLU 10 Cb -0.01 0.82 0.18 0.00 0.26 0.00 0.00 34.13 35.39 1wi2 s GLU 10 CO 0.06 -0.25 0.49 1.47 -0.54 0.00 0.00 175.26 176.50 1wi2 n LEU 11 N 5.43 -1.52 -4.81 2.70 -0.00 -1.26 -5.13 117.00 112.41 1wi2 n LEU 11 Ca -0.11 -3.87 -0.27 0.00 -0.00 0.00 0.00 56.01 51.76 1wi2 n LEU 11 Cb 0.49 0.63 -0.05 0.00 -0.00 0.00 0.00 43.42 44.49 1wi2 n LEU 11 CO -0.03 1.90 -0.21 -0.89 -0.00 0.00 0.00 177.39 178.16 1wi2 s THR 12 N 0.29 4.61 0.00 1.47 2.01 -1.26 -4.93 115.64 117.83 1wi2 s THR 12 Ca 0.32 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1wi2 s THR 12 Cb 0.04 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1wi2 s THR 12 CO -0.15 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 173.72 1wi2 n GLN 13 N -0.22 0.00 -1.61 4.92 0.00 -1.26 -4.97 117.38 114.24 1wi2 n GLN 13 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 56.89 1wi2 n GLN 13 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1wi2 n PHE 14 N -1.09 -0.28 -1.99 2.61 3.72 -1.26 -5.13 117.46 114.04 1wi2 n PHE 14 Ca 0.00 -0.89 -0.30 0.00 -0.05 0.00 0.00 57.45 56.21 1wi2 n PHE 14 Cb 0.00 0.49 0.01 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.15 3.26 0.00 4.37 1.43 -1.26 -5.08 118.68 120.25 1wi2 s LEU 15 Ca 0.12 1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1wi2 s LEU 15 Cb 0.21 -4.31 0.03 0.00 0.03 0.00 0.00 46.19 42.15 1wi2 s LEU 15 CO -0.07 -0.88 0.14 -0.81 0.23 0.00 0.00 176.35 174.97 1wi2 n PRO 16 N -2.70 -0.71 -4.08 1.29 -0.04 -1.26 -4.95 135.00 122.55 1wi2 n PRO 16 Ca 0.05 -0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1wi2 n PRO 16 Cb 0.55 -0.18 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 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 -3.32 0.59 -0.30 0.54 1.70 -0.61 -5.03 118.95 112.52 1wi2 s ARG 17 Ca 0.09 -1.17 -0.05 0.00 -0.47 0.00 0.00 55.73 54.13 1wi2 s ARG 17 Cb -0.01 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1wi2 s ARG 17 CO 0.06 -0.11 0.05 0.42 -1.08 0.00 0.00 175.30 174.64 1wi2 s ILE 18 N -3.75 3.50 -0.74 4.99 -1.09 -1.26 -1.94 121.20 120.90 1wi2 s ILE 18 Ca 0.05 -1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 57.23 1wi2 s ILE 18 Cb 0.07 -2.91 0.12 0.00 -1.58 0.00 0.00 42.46 38.16 1wi2 s ILE 18 CO -0.09 -0.03 0.90 -0.69 -1.23 0.00 0.00 174.94 173.80 1wi2 s VAL 19 N 1.38 4.76 -0.15 2.92 1.01 -0.63 -4.99 120.40 124.71 1wi2 s VAL 19 Ca -0.01 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1wi2 s VAL 19 Cb -0.18 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 1wi2 s VAL 19 CO 0.01 -1.31 0.16 -0.89 0.00 0.00 0.00 175.10 173.06 1wi2 s THR 20 N 2.73 5.44 0.12 3.92 2.01 -1.26 -3.17 115.64 125.43 1wi2 s THR 20 Ca 0.21 0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.56 1wi2 s THR 20 Cb -0.15 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1wi2 s THR 20 CO 0.01 0.53 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.46 1wi2 s LEU 21 N -0.38 2.42 0.00 4.42 1.02 -0.20 -4.96 118.68 121.00 1wi2 s LEU 21 Ca 0.13 -0.67 0.29 0.00 0.02 0.00 0.00 54.13 53.89 1wi2 s LEU 21 Cb -0.12 -1.32 1.22 0.00 0.02 0.00 0.00 46.19 45.99 1wi2 s LEU 21 CO 0.02 0.19 1.85 0.29 0.02 0.00 0.00 176.35 178.72 1wi2 n LYS 22 N 0.98 0.83 -1.42 1.70 4.76 -1.26 -3.81 118.16 119.94 1wi2 n LYS 22 Ca -0.17 -0.31 -0.55 0.00 -2.87 0.00 0.00 58.31 54.40 1wi2 n LYS 22 Cb 0.53 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.81 0.00 -1.56 1.97 3.00 -1.26 -4.87 118.16 114.62 1wi2 n LYS 23 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.16 1wi2 n LYS 23 Cb 0.28 -1.25 0.08 0.00 0.00 0.00 0.00 35.03 34.13 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 2.01 2.38 -0.59 1.64 0.04 -1.26 -4.29 135.00 134.92 1wi2 s PRO 24 Ca 0.85 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 1wi2 s PRO 24 Cb -1.21 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.25 1wi2 s PRO 24 CO 0.64 -1.44 2.66 -0.35 0.04 0.00 0.00 177.00 178.56 1wi2 n PRO 25 N -3.33 2.12 0.00 0.56 -0.04 -1.23 -2.76 135.00 130.32 1wi2 n PRO 25 Ca 0.07 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1wi2 n PRO 25 Cb 0.55 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.14 0.00 3.09 0.55 0.00 -1.26 -5.00 105.19 105.72 1wi2 n GLY 26 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 0.90 0.91 4.61 0.00 -1.11 -5.15 121.76 121.91 1wi2 s ALA 27 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1wi2 s ALA 27 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1wi2 s ALA 27 CO 0.00 0.14 0.00 0.94 0.00 0.00 0.00 175.76 176.84 1wi2 n GLN 28 N 1.91 1.90 -0.56 0.00 0.00 -1.26 -4.91 117.38 114.46 1wi2 n GLN 28 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 1wi2 n GLN 28 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 1wi2 n GLN 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1wi2 n LEU 29 N 0.00 0.00 -0.67 1.69 4.32 -1.26 -5.00 117.00 116.08 1wi2 n LEU 29 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1wi2 n LEU 29 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1wi2 n LEU 29 CO 0.00 0.00 0.26 0.61 -1.22 0.00 0.00 177.39 177.04 1wi2 n GLY 30 N 2.64 0.82 3.53 -0.72 0.00 -1.26 -4.98 105.19 105.22 1wi2 n GLY 30 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.30 0.07 1.61 -0.71 -1.26 0.21 117.98 117.60 1wi2 s PHE 31 Ca 0.02 0.17 0.09 0.00 -1.04 0.00 0.00 56.93 56.16 1wi2 s PHE 31 Cb 0.02 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1wi2 s PHE 31 CO -0.01 -0.51 -0.21 -0.80 -1.34 0.00 0.00 175.22 172.35 1wi2 s ASN 32 N -2.47 3.62 0.19 1.98 0.01 0.35 -4.92 114.94 113.70 1wi2 s ASN 32 Ca 0.06 -0.54 0.05 0.00 -0.71 0.00 0.00 52.86 51.72 1wi2 s ASN 32 Cb -0.01 -0.47 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 1wi2 s ASN 32 CO -0.08 0.23 0.18 0.27 -1.51 0.00 0.00 177.10 176.19 1wi2 s ILE 33 N -0.98 4.61 0.31 0.60 -4.36 -1.26 0.10 121.20 120.23 1wi2 s ILE 33 Ca 0.15 -1.12 -0.19 0.00 -0.26 0.00 0.00 60.65 59.23 1wi2 s ILE 33 Cb -0.10 -3.40 0.03 0.00 1.25 0.00 0.00 42.46 40.23 1wi2 s ILE 33 CO 0.06 -0.18 0.73 0.00 0.24 0.00 0.00 174.94 175.79 1wi2 s ARG 34 N -3.36 1.93 0.57 0.37 1.70 -0.28 -4.66 118.95 115.22 1wi2 s ARG 34 Ca 0.32 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1wi2 s ARG 34 Cb -0.10 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1wi2 s ARG 34 CO 0.25 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.99 1wi2 n GLY 35 N -0.48 -4.68 0.00 3.88 0.00 -1.26 -0.30 105.19 102.34 1wi2 n GLY 35 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.12 0.75 2.53 -0.02 0.00 -0.78 -3.32 105.19 103.22 1wi2 n GLY 36 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 0.44 -3.78 1.61 2.85 -1.26 -4.39 118.16 113.64 1wi2 n LYS 37 Ca 0.00 -2.64 -0.26 0.00 -1.05 0.00 0.00 58.31 54.36 1wi2 n LYS 37 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wi2 n ALA 38 N 2.53 -2.77 -2.67 0.58 0.00 -1.26 -4.89 120.51 112.04 1wi2 n ALA 38 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1wi2 n ALA 38 Cb 0.53 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.43 -1.38 -2.77 0.00 2.88 -1.26 -4.95 113.62 103.71 1wi2 n SER 39 Ca -0.31 -1.95 -0.09 0.00 -1.33 0.00 0.00 58.87 55.19 1wi2 n SER 39 Cb 0.70 1.08 -0.01 0.00 -0.75 0.00 0.00 64.21 65.22 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 -0.34 -2.65 -4.56 -1.46 3.00 -1.26 -4.88 117.38 105.22 1wi2 n GLN 40 Ca -0.17 0.18 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 1wi2 n GLN 40 Cb 0.71 -4.73 -0.14 0.00 0.00 0.00 0.00 30.24 26.08 1wi2 n GLN 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1wi2 s LEU 41 N -5.49 2.24 0.00 1.08 1.98 -1.26 -5.07 118.68 112.16 1wi2 s LEU 41 Ca 0.12 -0.64 0.03 0.00 -2.89 0.00 0.00 54.13 50.74 1wi2 s LEU 41 Cb -0.07 -1.12 0.03 0.00 0.66 0.00 0.00 46.19 45.69 1wi2 s LEU 41 CO 0.15 0.17 0.23 0.61 -1.89 0.00 0.00 176.35 175.62 1wi2 n GLY 42 N 1.38 3.06 3.69 7.98 0.00 -1.23 -4.13 105.19 115.94 1wi2 n GLY 42 Ca -0.18 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.27 4.92 0.13 -0.61 -1.09 -1.21 -1.87 121.20 119.18 1wi2 s ILE 43 Ca 0.18 1.66 0.08 0.00 -2.23 0.00 0.00 60.65 60.34 1wi2 s ILE 43 Cb -0.01 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1wi2 s ILE 43 CO 0.11 0.10 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.37 1wi2 s PHE 44 N 1.67 1.74 -0.29 3.97 0.08 0.59 0.38 117.98 126.11 1wi2 s PHE 44 Ca 0.40 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 1wi2 s PHE 44 Cb -0.17 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1wi2 s PHE 44 CO 0.16 0.24 1.80 0.42 -0.10 0.00 0.00 175.22 177.74 1wi2 s ILE 45 N -1.61 3.47 -0.07 0.64 -1.09 -0.57 -1.13 121.20 120.83 1wi2 s ILE 45 Ca 0.10 0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 58.88 1wi2 s ILE 45 Cb -0.08 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1wi2 s ILE 45 CO 0.05 -0.35 0.49 -1.28 -1.23 0.00 0.00 174.94 172.62 1wi2 h SER 46 N 12.60 -0.21 -4.57 3.58 0.87 0.39 -3.17 113.55 123.05 1wi2 h SER 46 Ca -0.35 -0.15 -0.15 0.00 -1.23 0.00 0.00 61.79 59.92 1wi2 h SER 46 Cb 1.17 0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 62.96 1wi2 h SER 46 CO 1.02 0.31 -0.42 -0.75 -0.53 0.00 0.00 176.83 176.46 1wi2 s LYS 47 N -2.68 0.46 -0.06 2.24 2.20 -0.86 -4.89 119.74 116.15 1wi2 s LYS 47 Ca -0.07 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1wi2 s LYS 47 Cb 0.00 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 1wi2 s LYS 47 CO 0.25 -0.10 -0.13 0.08 -0.36 0.00 0.00 175.35 175.09 1wi2 s VAL 48 N -0.83 1.16 0.08 4.02 1.01 -1.26 0.13 120.40 124.70 1wi2 s VAL 48 Ca -0.09 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 1wi2 s VAL 48 Cb -0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 1wi2 s VAL 48 CO 0.02 0.35 1.59 -0.63 0.00 0.00 0.00 175.10 176.43 1wi2 s ILE 49 N 0.50 3.09 -0.99 2.22 -1.09 0.55 -4.86 121.20 120.63 1wi2 s ILE 49 Ca -0.12 0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.83 1wi2 s ILE 49 Cb -0.14 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.26 1wi2 s ILE 49 CO 0.03 0.01 2.56 -0.81 -1.23 0.00 0.00 174.94 175.50 1wi2 n PRO 50 N 5.24 2.55 0.00 2.79 -0.04 -1.26 -2.76 135.00 141.51 1wi2 n PRO 50 Ca 0.15 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1wi2 n PRO 50 Cb 0.41 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.67 0.00 -2.11 3.54 5.68 -1.26 -5.12 116.55 120.95 1wi2 n ASP 51 Ca 0.54 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.79 1wi2 n ASP 51 Cb 0.28 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wi2 n SER 52 N 0.00 1.59 0.09 -1.12 3.41 -1.11 -5.02 113.62 111.46 1wi2 n SER 52 Ca 0.00 -1.33 -0.06 0.00 -0.26 0.00 0.00 58.87 57.23 1wi2 n SER 52 Cb 0.00 0.10 0.00 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 0.21 0.06 -0.19 4.04 5.19 -1.91 -3.00 116.42 120.81 1wi2 h ASP 53 Ca -0.05 -0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.17 1wi2 h ASP 53 Cb 0.18 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1wi2 h ASP 53 CO 0.09 0.88 -0.39 0.00 -3.12 0.00 0.00 179.24 176.70 1wi2 h ALA 54 N 1.12 0.31 -0.68 3.45 0.00 -1.90 0.63 119.26 122.19 1wi2 h ALA 54 Ca -0.02 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1wi2 h ALA 54 Cb 1.49 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1wi2 h ALA 54 CO 0.12 0.40 0.32 1.25 0.00 0.00 0.00 179.25 181.33 1wi2 h HIS 55 N 0.28 0.56 0.03 0.00 6.17 -1.75 0.33 115.15 120.77 1wi2 h HIS 55 Ca 0.01 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.00 1wi2 h HIS 55 Cb 0.98 -0.15 0.01 0.00 2.52 0.00 0.00 27.41 30.77 1wi2 h HIS 55 CO 0.09 0.19 -0.46 0.00 0.71 0.00 0.00 177.93 178.46 1wi2 h ARG 56 N 0.55 0.26 -1.25 5.26 -0.00 -1.46 -3.22 114.38 114.51 1wi2 h ARG 56 Ca 0.34 -0.32 0.38 0.00 -0.50 0.00 0.00 59.98 59.88 1wi2 h ARG 56 Cb 0.37 0.10 -0.11 0.00 0.00 0.00 0.00 29.97 30.33 1wi2 h ARG 56 CO -0.28 1.06 0.82 0.00 0.00 0.00 0.00 179.97 181.57 1wi2 h ALA 57 N 0.21 2.66 0.00 0.04 0.00 0.75 -3.43 119.26 119.50 1wi2 h ALA 57 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wi2 h ALA 57 Cb 1.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1wi2 h ALA 57 CO 0.09 -1.19 0.00 0.41 0.00 0.00 0.00 179.25 178.55 1wi2 n GLY 58 N -1.55 1.52 3.81 0.00 0.00 -0.38 -4.96 105.19 103.65 1wi2 n GLY 58 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 4.41 -0.05 0.99 1.43 0.10 -5.03 118.68 120.54 1wi2 s LEU 59 Ca 0.00 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1wi2 s LEU 59 Cb 0.00 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1wi2 s LEU 59 CO 0.00 0.27 0.12 0.00 0.23 0.00 0.00 176.35 176.97 1wi2 s GLN 60 N -0.66 0.13 -0.33 1.70 -2.07 -1.26 -4.51 119.66 112.66 1wi2 s GLN 60 Ca 0.22 0.20 -0.37 0.00 -1.82 0.00 0.00 55.36 53.58 1wi2 s GLN 60 Cb -0.15 0.02 -0.13 0.00 -1.09 0.00 0.00 33.01 31.65 1wi2 s GLN 60 CO 0.10 -0.04 2.05 0.39 -1.32 0.00 0.00 175.29 176.47 1wi2 n GLU 61 N 3.24 1.07 0.00 9.60 1.02 -1.26 -0.78 120.64 133.53 1wi2 n GLU 61 Ca -0.15 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1wi2 n GLU 61 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 5.88 1.46 3.71 0.62 0.00 -1.20 -5.02 105.19 110.64 1wi2 n GLY 62 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.05 6.52 0.32 1.61 1.01 0.04 -4.42 116.67 120.70 1wi2 s ASP 63 Ca 0.00 2.66 -0.16 0.00 0.71 0.00 0.00 52.55 55.76 1wi2 s ASP 63 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1wi2 s ASP 63 CO 0.00 -0.90 0.75 -1.58 0.21 0.00 0.00 175.17 173.64 1wi2 s GLN 64 N 1.84 4.04 -0.60 8.23 0.74 -1.25 -1.52 119.66 131.13 1wi2 s GLN 64 Ca 0.74 0.71 -0.06 0.00 0.05 0.00 0.00 55.36 56.80 1wi2 s GLN 64 Cb -0.44 -2.45 0.16 0.00 1.10 0.00 0.00 33.01 31.37 1wi2 s GLN 64 CO 0.33 0.17 0.45 0.08 -0.55 0.00 0.00 175.29 175.76 1wi2 s VAL 65 N -1.96 4.06 0.03 1.34 1.01 0.16 -3.33 120.40 121.71 1wi2 s VAL 65 Ca 0.54 -2.56 -0.13 0.00 0.00 0.00 0.00 61.98 59.83 1wi2 s VAL 65 Cb -0.11 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1wi2 s VAL 65 CO 0.17 -0.86 1.19 -0.07 0.00 0.00 0.00 175.10 175.54 1wi2 h LEU 66 N 7.53 -0.47 -8.40 3.92 3.38 0.62 -3.36 115.31 118.53 1wi2 h LEU 66 Ca -0.04 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1wi2 h LEU 66 Cb 1.00 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 1wi2 h LEU 66 CO 0.74 -0.24 -0.66 0.00 0.09 0.00 0.00 178.44 178.38 1wi2 s ALA 67 N -4.13 0.81 -0.25 1.53 0.00 -1.21 -1.76 121.76 116.75 1wi2 s ALA 67 Ca -0.06 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1wi2 s ALA 67 Cb 0.01 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1wi2 s ALA 67 CO 0.21 -0.43 0.05 0.08 0.00 0.00 0.00 175.76 175.67 1wi2 s VAL 68 N -3.97 0.81 -1.27 0.00 1.01 0.52 0.01 120.40 117.51 1wi2 s VAL 68 Ca 0.19 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1wi2 s VAL 68 Cb 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1wi2 s VAL 68 CO -0.01 -0.41 0.86 0.59 0.00 0.00 0.00 175.10 176.13 1wi2 n ASN 69 N 4.91 -1.84 0.00 3.32 3.02 -0.20 -1.57 115.26 122.91 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 0.44 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 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 -4.66 6.41 2.03 -1.26 -4.95 116.55 111.03 1wi2 n ASP 70 Ca -0.27 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.55 1wi2 n ASP 70 Cb 0.67 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.16 -2.57 5.18 0.31 -0.61 -4.91 118.33 115.90 1wi2 n VAL 71 Ca 0.00 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 1wi2 n VAL 71 Cb 0.00 -1.47 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.74 7.34 -0.02 4.52 1.01 -1.26 0.19 116.67 130.20 1wi2 s ASP 72 Ca 0.84 2.06 0.11 0.00 0.71 0.00 0.00 52.55 56.28 1wi2 s ASP 72 Cb -0.75 -2.61 -0.18 0.00 1.01 0.00 0.00 42.92 40.39 1wi2 s ASP 72 CO 0.44 -0.14 0.25 0.49 0.21 0.00 0.00 175.17 176.42 1wi2 n PHE 73 N 2.15 0.00 -0.56 4.23 3.01 -0.72 -4.53 117.46 121.03 1wi2 n PHE 73 Ca 0.02 0.00 0.45 0.00 1.01 0.00 0.00 57.45 58.93 1wi2 n PHE 73 Cb 0.46 -0.26 0.74 0.00 -0.01 0.00 0.00 39.48 40.42 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 0.02 -2.14 -1.08 1.08 -1.64 -2.58 115.11 108.77 1wi2 h GLN 74 Ca 0.00 -0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1wi2 h GLN 74 Cb 0.52 -0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.60 1wi2 h GLN 74 CO 0.00 0.01 -0.90 -0.40 -0.95 0.00 0.00 178.83 176.59 1wi2 n ASP 75 N -4.34 -0.96 -4.07 1.46 5.75 -1.26 -3.54 116.55 109.59 1wi2 n ASP 75 Ca 0.41 -2.46 -0.08 0.00 -0.01 0.00 0.00 54.79 52.65 1wi2 n ASP 75 Cb 1.72 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 41.53 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1wi2 s ILE 76 N 0.18 0.18 0.27 2.12 2.07 -0.97 -4.98 121.20 120.06 1wi2 s ILE 76 Ca 0.33 -1.74 -0.27 0.00 -1.41 0.00 0.00 60.65 57.56 1wi2 s ILE 76 Cb 0.03 -1.63 -0.09 0.00 0.13 0.00 0.00 42.46 40.90 1wi2 s ILE 76 CO -0.18 -0.80 0.91 -1.61 -1.91 0.00 0.00 174.94 171.35 1wi2 s GLU 77 N -3.94 4.65 0.12 3.50 0.41 -1.26 -4.47 118.70 117.70 1wi2 s GLU 77 Ca 0.11 1.33 -0.32 0.00 -0.41 0.00 0.00 54.97 55.69 1wi2 s GLU 77 Cb 0.07 -3.01 -0.10 0.00 -1.78 0.00 0.00 34.13 29.31 1wi2 s GLU 77 CO -0.07 0.40 1.58 1.25 -0.49 0.00 0.00 175.26 177.92 1wi2 h HIS 78 N 3.63 -1.31 -0.99 1.61 -0.00 -1.93 0.88 115.15 117.03 1wi2 h HIS 78 Ca -0.46 0.04 0.21 0.00 -0.00 0.00 0.00 60.37 60.15 1wi2 h HIS 78 Cb 1.20 0.57 -0.11 0.00 -0.00 0.00 0.00 27.41 29.06 1wi2 h HIS 78 CO 0.62 -0.54 0.59 1.03 -0.00 0.00 0.00 177.93 179.63 1wi2 h SER 79 N -0.64 0.73 0.29 3.26 0.87 -1.98 0.25 113.55 116.33 1wi2 h SER 79 Ca 0.03 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1wi2 h SER 79 Cb 0.69 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1wi2 h SER 79 CO -0.30 0.21 -0.14 0.50 -0.53 0.00 0.00 176.83 176.57 1wi2 h LYS 80 N 0.69 -0.37 -0.70 2.24 3.64 -1.39 0.17 116.57 120.86 1wi2 h LYS 80 Ca 0.60 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 60.15 1wi2 h LYS 80 Cb 0.99 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.79 1wi2 h LYS 80 CO -0.42 -0.06 0.10 0.00 -2.27 0.00 0.00 179.45 176.81 1wi2 h ALA 81 N -0.10 0.82 0.63 5.00 0.00 0.23 1.51 119.26 127.36 1wi2 h ALA 81 Ca -0.04 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1wi2 h ALA 81 Cb 0.48 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wi2 h ALA 81 CO 0.06 -0.36 -0.30 0.28 0.00 0.00 0.00 179.25 178.93 1wi2 h VAL 82 N 0.20 0.00 -0.40 0.00 2.07 -0.46 -2.38 116.25 115.28 1wi2 h VAL 82 Ca 0.38 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.90 1wi2 h VAL 82 Cb 0.65 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 1wi2 h VAL 82 CO -0.53 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.43 1wi2 h GLU 83 N -0.94 -0.22 -0.95 1.57 4.39 0.07 -1.40 114.58 117.09 1wi2 h GLU 83 Ca -0.09 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.71 1wi2 h GLU 83 Cb 0.65 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 1wi2 h GLU 83 CO 0.14 -0.15 -0.58 0.82 -1.16 0.00 0.00 179.01 178.08 1wi2 h ILE 84 N -0.23 0.00 -0.16 3.13 2.04 0.21 0.38 117.51 122.89 1wi2 h ILE 84 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1wi2 h ILE 84 Cb 0.52 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1wi2 h ILE 84 CO -0.53 0.00 -0.22 -0.07 0.00 0.00 0.00 178.15 177.33 1wi2 h LEU 85 N -0.03 -0.74 0.00 1.44 3.38 -0.73 1.07 115.31 119.71 1wi2 h LEU 85 Ca 0.15 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wi2 h LEU 85 Cb 0.42 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wi2 h LEU 85 CO -0.91 -0.16 0.00 0.29 0.09 0.00 0.00 178.44 177.75 1wi2 n LYS 86 N -3.76 0.00 -0.34 1.13 4.01 -0.20 -0.64 118.16 118.36 1wi2 n LYS 86 Ca -0.01 0.86 0.09 0.00 -0.51 0.00 0.00 58.31 58.74 1wi2 n LYS 86 Cb 0.13 -1.44 0.20 0.00 -0.51 0.00 0.00 35.03 33.42 1wi2 n LYS 86 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1wi2 h THR 87 N 0.00 0.05 -1.71 -0.18 1.35 0.00 -3.35 112.91 109.08 1wi2 h THR 87 Ca 0.00 -0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.34 1wi2 h THR 87 Cb 0.00 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1wi2 h THR 87 CO 0.00 0.00 1.58 0.00 -0.25 0.00 0.00 175.52 176.85 1wi2 n ALA 88 N -3.34 1.19 -0.28 6.62 0.00 0.37 -4.81 120.51 120.26 1wi2 n ALA 88 Ca 0.18 -0.63 0.05 0.00 0.00 0.00 0.00 53.44 53.04 1wi2 n ALA 88 Cb 0.60 -3.07 0.14 0.00 0.00 0.00 0.00 19.45 17.12 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 17.53 0.04 -5.31 0.00 0.11 -1.77 -3.37 114.38 121.60 1wi2 h ARG 89 Ca -0.31 -0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.09 1wi2 h ARG 89 Cb 1.26 -0.01 -0.33 0.00 1.11 0.00 0.00 29.97 32.00 1wi2 h ARG 89 CO 1.08 0.02 -0.87 -1.83 0.10 0.00 0.00 179.97 178.47 1wi2 s GLU 90 N -6.17 3.06 -0.15 0.08 -1.05 -1.26 -3.56 118.70 109.65 1wi2 s GLU 90 Ca -0.14 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 53.55 1wi2 s GLU 90 Cb 0.23 -2.34 -0.01 0.00 -0.44 0.00 0.00 34.13 31.57 1wi2 s GLU 90 CO 0.76 0.14 0.86 0.42 0.95 0.00 0.00 175.26 178.39 1wi2 s ILE 91 N 0.43 4.87 -0.44 1.83 1.01 -1.25 -4.91 121.20 122.74 1wi2 s ILE 91 Ca -0.16 1.71 0.06 0.00 0.00 0.00 0.00 60.65 62.26 1wi2 s ILE 91 Cb -0.17 -4.17 0.22 0.00 0.01 0.00 0.00 42.46 38.35 1wi2 s ILE 91 CO 0.07 0.03 0.59 -0.24 0.00 0.00 0.00 174.94 175.39 1wi2 n SER 92 N 5.13 -1.25 -4.98 3.58 2.88 -1.26 -1.03 113.62 116.70 1wi2 n SER 92 Ca 0.05 -2.79 -0.20 0.00 -1.33 0.00 0.00 58.87 54.60 1wi2 n SER 92 Cb 0.49 0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.14 3.34 -0.31 -1.46 0.23 -1.19 -1.03 119.30 118.74 1wi2 s MET 93 Ca 0.33 -0.82 -0.07 0.00 -1.03 0.00 0.00 55.69 54.09 1wi2 s MET 93 Cb 0.13 -2.86 0.01 0.00 -1.53 0.00 0.00 34.83 30.58 1wi2 s MET 93 CO -0.16 0.31 0.10 0.50 -2.03 0.00 0.00 175.02 173.74 1wi2 s ARG 94 N -4.05 3.04 0.36 3.16 3.52 0.10 -1.61 118.95 123.47 1wi2 s ARG 94 Ca 0.38 -0.90 0.08 0.00 -0.13 0.00 0.00 55.73 55.16 1wi2 s ARG 94 Cb -0.09 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1wi2 s ARG 94 CO 0.30 -0.49 0.15 0.14 -0.81 0.00 0.00 175.30 174.59 1wi2 s VAL 95 N 1.51 2.87 -0.22 7.11 -7.23 -0.82 0.12 120.40 123.73 1wi2 s VAL 95 Ca 0.02 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1wi2 s VAL 95 Cb -0.18 -2.97 0.07 0.00 0.56 0.00 0.00 36.38 33.86 1wi2 s VAL 95 CO 0.03 -0.15 0.53 -0.60 -0.31 0.00 0.00 175.10 174.61 1wi2 s ARG 96 N -3.86 0.52 -0.46 4.82 3.52 -1.21 -1.58 118.95 120.71 1wi2 s ARG 96 Ca 0.39 0.99 -0.43 0.00 -0.13 0.00 0.00 55.73 56.55 1wi2 s ARG 96 Cb -0.01 0.08 -0.18 0.00 -1.56 0.00 0.00 34.95 33.27 1wi2 s ARG 96 CO 0.23 -0.16 1.47 1.97 -0.81 0.00 0.00 175.30 177.99 1wi2 n PHE 97 N 4.36 1.61 -2.81 5.12 -1.74 -1.26 -3.93 117.46 118.80 1wi2 n PHE 97 Ca -0.21 1.05 -0.11 0.00 -0.56 0.00 0.00 57.45 57.62 1wi2 n PHE 97 Cb 0.56 -2.04 0.04 0.00 1.52 0.00 0.00 39.48 39.56 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 3.68 -0.17 -3.15 2.97 7.35 -1.26 -4.98 117.46 121.90 1wi2 n PHE 98 Ca 0.28 -2.84 0.05 0.00 -0.76 0.00 0.00 57.45 54.19 1wi2 n PHE 98 Cb -0.05 0.17 -0.01 0.00 0.35 0.00 0.00 39.48 39.94 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 -2.41 -0.74 0.51 -2.13 1.04 -1.26 -4.74 113.70 103.97 1wi2 s SER 99 Ca 0.29 0.25 0.04 0.00 0.48 0.00 0.00 55.95 57.00 1wi2 s SER 99 Cb 0.40 1.54 -0.00 0.00 0.10 0.00 0.00 66.02 68.06 1wi2 s SER 99 CO -0.02 -0.14 0.16 -0.83 0.98 0.00 0.00 173.24 173.39 1wi2 s GLY 100 N 2.92 2.71 0.01 7.32 0.00 -1.26 -5.10 107.32 113.92 1wi2 s GLY 100 Ca 0.14 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1wi2 s GLY 100 CO -0.19 -2.08 1.19 2.56 0.00 0.00 0.00 173.10 174.58 1wi2 s PRO 101 N -4.01 4.41 -0.00 2.90 0.04 -1.26 -4.96 135.00 132.11 1wi2 s PRO 101 Ca 0.20 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 1wi2 s PRO 101 Cb 0.01 -3.44 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 1wi2 s PRO 101 CO 0.12 -0.32 0.93 0.77 0.04 0.00 0.00 177.00 178.54 1wi2 h SER 102 N 7.09 -0.66 -3.48 6.66 0.02 -2.07 -3.41 113.55 117.69 1wi2 h SER 102 Ca -0.39 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 59.99 1wi2 h SER 102 Cb 1.19 0.17 -0.39 0.00 0.14 0.00 0.00 62.40 63.51 1wi2 h SER 102 CO 0.84 -0.29 -0.77 -0.55 -1.14 0.00 0.00 176.83 174.92 1wi2 s SER 103 N -4.48 3.93 0.00 3.07 0.15 -1.26 -5.34 113.70 109.77 1wi2 s SER 103 Ca -0.11 -1.40 0.17 0.00 0.70 0.00 0.00 55.95 55.30 1wi2 s SER 103 Cb 0.01 -1.10 0.99 0.00 -1.71 0.00 0.00 66.02 64.21 1wi2 s SER 103 CO 0.34 -0.31 1.40 0.61 1.20 0.00 0.00 173.24 176.48