#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 1.27 0.47 1.61 0.15 -1.26 -5.12 113.70 110.82 1wi2 s SER 2 Ca 0.00 -1.28 -0.23 0.00 0.70 0.00 0.00 55.95 55.14 1wi2 s SER 2 Cb 0.00 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.35 1wi2 s SER 2 CO 0.00 -0.64 1.03 -0.24 1.20 0.00 0.00 173.24 174.59 1wi2 n SER 3 N -0.37 1.31 -3.75 5.45 2.88 -1.26 -4.91 113.62 112.97 1wi2 n SER 3 Ca -0.03 0.99 -0.38 0.00 -1.33 0.00 0.00 58.87 58.11 1wi2 n SER 3 Cb 0.65 -1.38 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 1wi2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi2 n GLY 4 N 1.16 5.30 3.16 0.46 0.00 -1.26 -4.99 105.19 109.02 1wi2 n GLY 4 Ca 0.10 -2.69 -0.09 0.00 0.00 0.00 0.00 46.02 43.34 1wi2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wi2 s SER 5 N -1.99 0.30 0.17 1.61 1.04 -1.26 -5.12 113.70 108.45 1wi2 s SER 5 Ca 0.35 -1.12 -0.33 0.00 0.48 0.00 0.00 55.95 55.33 1wi2 s SER 5 Cb 0.11 0.30 -0.15 0.00 0.10 0.00 0.00 66.02 66.37 1wi2 s SER 5 CO 0.03 -0.73 1.31 -0.24 0.98 0.00 0.00 173.24 174.60 1wi2 n SER 6 N -0.07 1.96 -4.54 7.02 2.88 -1.26 -4.89 113.62 114.71 1wi2 n SER 6 Ca -0.07 1.13 -0.43 0.00 -1.33 0.00 0.00 58.87 58.17 1wi2 n SER 6 Cb 0.63 -1.29 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1wi2 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi2 s GLY 7 N 0.29 1.53 0.00 0.46 0.00 -1.26 -4.91 107.32 103.42 1wi2 s GLY 7 Ca 0.75 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1wi2 s GLY 7 CO 0.49 1.90 0.00 -2.01 0.00 0.00 0.00 173.10 173.48 1wi2 n ASN 8 N 6.97 0.00 0.06 1.64 2.85 -1.26 -5.07 115.26 120.45 1wi2 n ASN 8 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1wi2 n ASN 8 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1wi2 n ASN 8 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wi2 n ASN 9 N 0.00 -1.01 -1.29 1.20 3.02 -1.26 -5.15 115.26 110.77 1wi2 n ASN 9 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1wi2 n ASN 9 Cb 0.00 1.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 1wi2 n ASN 9 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wi2 n GLU 10 N -2.95 -3.29 -3.24 3.52 4.71 -1.26 -5.01 120.64 113.12 1wi2 n GLU 10 Ca 0.00 2.45 -0.23 0.00 -0.01 0.00 0.00 57.16 59.37 1wi2 n GLU 10 Cb 0.00 -2.56 -0.07 0.00 -1.01 0.00 0.00 31.44 27.80 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1wi2 n LEU 11 N 0.64 -0.82 -4.77 -4.62 -0.00 -1.26 -5.12 117.00 101.05 1wi2 n LEU 11 Ca 0.00 -4.22 -0.39 0.00 -0.00 0.00 0.00 56.01 51.40 1wi2 n LEU 11 Cb 0.00 0.61 -0.03 0.00 -0.00 0.00 0.00 43.42 44.00 1wi2 n LEU 11 CO 0.00 1.92 0.82 -0.89 -0.00 0.00 0.00 177.39 179.24 1wi2 s THR 12 N -0.10 3.32 0.00 1.47 2.01 -1.26 -4.85 115.64 116.22 1wi2 s THR 12 Ca 0.33 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.50 1wi2 s THR 12 Cb 0.07 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1wi2 s THR 12 CO -0.16 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1wi2 n GLN 13 N 0.45 0.00 -0.78 4.92 1.13 -1.26 -4.98 117.38 116.85 1wi2 n GLN 13 Ca 0.02 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.04 1wi2 n GLN 13 Cb 0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 30.24 30.72 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1wi2 n PHE 14 N -2.17 0.00 -1.25 1.08 1.16 -1.26 -5.14 117.46 109.88 1wi2 n PHE 14 Ca 0.00 -0.30 -0.35 0.00 -1.87 0.00 0.00 57.45 54.93 1wi2 n PHE 14 Cb 0.00 0.40 0.11 0.00 -1.61 0.00 0.00 39.48 38.37 1wi2 n PHE 14 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1wi2 n LEU 15 N 0.00 3.99 0.00 5.98 4.77 -1.26 -5.00 117.00 125.48 1wi2 n LEU 15 Ca -0.17 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1wi2 n LEU 15 Cb 0.59 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1wi2 n LEU 15 CO -0.08 -1.86 0.00 -0.81 -1.33 0.00 0.00 177.39 173.31 1wi2 n PRO 16 N -2.50 0.39 -4.05 3.23 -0.04 -1.26 -4.96 135.00 125.81 1wi2 n PRO 16 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1wi2 n PRO 16 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.23 0.61 -0.36 0.54 1.70 0.33 -4.99 118.95 115.55 1wi2 s ARG 17 Ca 0.00 -1.12 -0.06 0.00 -0.47 0.00 0.00 55.73 54.08 1wi2 s ARG 17 Cb 0.00 0.22 0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1wi2 s ARG 17 CO 0.00 -0.12 0.14 0.42 -1.08 0.00 0.00 175.30 174.66 1wi2 s ILE 18 N -3.66 3.79 -0.70 4.99 -1.09 -1.26 -0.92 121.20 122.35 1wi2 s ILE 18 Ca 0.04 -1.29 -0.18 0.00 -2.23 0.00 0.00 60.65 57.00 1wi2 s ILE 18 Cb 0.06 -3.22 0.13 0.00 -1.58 0.00 0.00 42.46 37.85 1wi2 s ILE 18 CO -0.09 -0.29 0.78 -0.69 -1.23 0.00 0.00 174.94 173.42 1wi2 s VAL 19 N 1.37 4.99 0.04 2.92 1.01 -0.83 -4.97 120.40 124.94 1wi2 s VAL 19 Ca 0.00 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 1wi2 s VAL 19 Cb -0.21 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 1wi2 s VAL 19 CO 0.02 -1.16 0.63 -0.89 0.00 0.00 0.00 175.10 173.70 1wi2 s THR 20 N 2.10 4.77 0.40 3.92 2.01 -1.26 -3.83 115.64 123.76 1wi2 s THR 20 Ca 0.16 1.35 0.08 0.00 0.31 0.00 0.00 61.69 63.58 1wi2 s THR 20 Cb -0.18 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1wi2 s THR 20 CO 0.00 0.46 0.41 -0.22 -0.69 0.00 0.00 174.62 174.58 1wi2 s LEU 21 N -0.54 3.49 -0.00 4.42 2.96 -0.84 -4.96 118.68 123.21 1wi2 s LEU 21 Ca 0.32 -0.63 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1wi2 s LEU 21 Cb -0.19 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 1wi2 s LEU 21 CO 0.20 -0.63 0.23 1.17 -1.32 0.00 0.00 176.35 176.00 1wi2 n LYS 22 N -1.59 4.00 -1.46 1.98 4.81 -1.26 -4.35 118.16 120.30 1wi2 n LYS 22 Ca 0.04 -0.01 -0.57 0.00 -0.87 0.00 0.00 58.31 56.89 1wi2 n LYS 22 Cb 0.61 -0.86 -0.08 0.00 0.02 0.00 0.00 35.03 34.72 1wi2 n LYS 22 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1wi2 n LYS 23 N -1.26 0.00 -1.77 1.64 -0.00 -1.26 -4.88 118.16 110.63 1wi2 n LYS 23 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.00 1wi2 n LYS 23 Cb 0.11 -1.44 0.03 0.00 -0.00 0.00 0.00 35.03 33.73 1wi2 n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wi2 s PRO 24 N 0.17 3.12 -0.90 -1.58 0.04 -1.26 -4.82 135.00 129.77 1wi2 s PRO 24 Ca 0.88 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 1wi2 s PRO 24 Cb -1.23 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 1wi2 s PRO 24 CO 0.56 -0.96 2.58 -0.35 0.04 0.00 0.00 177.00 178.87 1wi2 n PRO 25 N -2.69 2.44 0.00 0.56 -0.04 -1.26 -2.82 135.00 131.20 1wi2 n PRO 25 Ca 0.08 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1wi2 n PRO 25 Cb 0.53 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.41 0.00 3.60 0.55 0.00 -1.26 -5.02 105.19 106.47 1wi2 n GLY 26 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.02 0.58 4.61 0.00 -1.13 -5.15 121.76 120.65 1wi2 s ALA 27 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 1wi2 s ALA 27 Cb 0.00 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.10 1wi2 s ALA 27 CO 0.00 -0.86 1.23 -0.65 0.00 0.00 0.00 175.76 175.47 1wi2 s GLN 28 N -3.37 3.05 0.00 0.00 -0.21 -1.26 -4.87 119.66 113.00 1wi2 s GLN 28 Ca 0.24 1.88 0.00 0.00 0.02 0.00 0.00 55.36 57.50 1wi2 s GLN 28 Cb -0.02 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1wi2 s GLN 28 CO 0.13 -1.16 0.44 -0.11 -2.12 0.00 0.00 175.29 172.47 1wi2 n LEU 29 N -1.43 0.18 0.00 2.90 -0.00 -1.26 -4.82 117.00 112.57 1wi2 n LEU 29 Ca 0.13 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.81 1wi2 n LEU 29 Cb 0.49 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1wi2 n LEU 29 CO 0.46 -0.44 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 1wi2 n GLY 30 N 0.67 0.30 3.26 -3.96 0.00 -1.26 -4.66 105.19 99.53 1wi2 n GLY 30 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.02 0.31 -0.11 1.61 -0.12 -1.26 0.19 117.98 117.58 1wi2 s PHE 31 Ca 0.00 -0.71 -0.00 0.00 -0.05 0.00 0.00 56.93 56.17 1wi2 s PHE 31 Cb 0.00 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1wi2 s PHE 31 CO 0.00 -0.62 -0.10 -0.80 -0.05 0.00 0.00 175.22 173.65 1wi2 s ASN 32 N -2.92 4.33 0.08 1.98 0.01 0.50 -4.93 114.94 113.99 1wi2 s ASN 32 Ca 0.11 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.09 1wi2 s ASN 32 Cb 0.04 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.22 1wi2 s ASN 32 CO -0.05 0.23 0.14 0.27 -1.51 0.00 0.00 177.10 176.18 1wi2 s ILE 33 N -0.05 4.90 0.32 0.60 -4.36 -1.26 0.18 121.20 121.52 1wi2 s ILE 33 Ca -0.01 -0.62 -0.14 0.00 -0.26 0.00 0.00 60.65 59.61 1wi2 s ILE 33 Cb -0.14 -3.38 0.02 0.00 1.25 0.00 0.00 42.46 40.21 1wi2 s ILE 33 CO 0.03 0.12 0.65 0.00 0.24 0.00 0.00 174.94 175.98 1wi2 s ARG 34 N -2.48 1.90 0.25 0.37 1.70 -0.76 -4.70 118.95 115.22 1wi2 s ARG 34 Ca 0.32 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 1wi2 s ARG 34 Cb -0.12 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1wi2 s ARG 34 CO 0.25 -0.85 0.00 0.41 -1.08 0.00 0.00 175.30 174.03 1wi2 n GLY 35 N -0.48 -1.78 0.00 3.88 0.00 -1.25 -1.11 105.19 104.44 1wi2 n GLY 35 Ca -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1wi2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi2 n GLY 36 N 0.00 0.22 1.30 -0.02 0.00 0.76 -4.77 105.19 102.68 1wi2 n GLY 36 Ca 0.00 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.28 1wi2 n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wi2 n LYS 37 N 0.00 -2.85 -3.38 1.61 4.81 -1.26 -4.14 118.16 112.96 1wi2 n LYS 37 Ca 0.00 2.15 -0.45 0.00 -0.87 0.00 0.00 58.31 59.14 1wi2 n LYS 37 Cb 0.00 -3.39 -0.05 0.00 0.02 0.00 0.00 35.03 31.62 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wi2 s ALA 38 N -3.25 3.77 -0.24 3.14 0.00 -1.26 -4.48 121.76 119.44 1wi2 s ALA 38 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 51.96 49.08 1wi2 s ALA 38 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1wi2 s ALA 38 CO 0.00 -2.11 0.90 0.45 0.00 0.00 0.00 175.76 175.01 1wi2 n SER 39 N 4.62 -0.80 -3.25 0.00 2.88 -1.26 -5.00 113.62 110.80 1wi2 n SER 39 Ca -0.01 -1.40 -0.14 0.00 -1.33 0.00 0.00 58.87 55.99 1wi2 n SER 39 Cb 0.43 0.80 0.06 0.00 -0.75 0.00 0.00 64.21 64.74 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 -0.40 -2.03 -1.00 -1.46 6.02 -1.26 -5.02 117.38 112.21 1wi2 n GLN 40 Ca -0.26 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1wi2 n GLN 40 Cb 0.59 -5.70 0.00 0.00 1.02 0.00 0.00 30.24 26.15 1wi2 n GLN 40 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wi2 n LEU 41 N -3.05 0.00 0.00 1.08 4.77 -1.26 -5.09 117.00 113.45 1wi2 n LEU 41 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1wi2 n LEU 41 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1wi2 n LEU 41 CO 0.59 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1wi2 n GLY 42 N 0.30 -0.61 3.75 -0.72 0.00 -1.26 -4.67 105.19 101.98 1wi2 n GLY 42 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.35 5.30 0.05 -0.61 -1.09 -1.20 -0.17 121.20 120.13 1wi2 s ILE 43 Ca 0.00 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.97 1wi2 s ILE 43 Cb 0.00 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1wi2 s ILE 43 CO 0.00 0.43 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.70 1wi2 s PHE 44 N 0.16 0.72 -1.00 3.97 0.40 -0.27 -0.59 117.98 121.36 1wi2 s PHE 44 Ca 0.17 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 1wi2 s PHE 44 Cb -0.13 -0.43 -0.13 0.00 0.51 0.00 0.00 43.02 42.84 1wi2 s PHE 44 CO 0.05 -0.07 1.93 -0.89 0.70 0.00 0.00 175.22 176.93 1wi2 n ILE 45 N 1.40 1.67 -0.36 0.64 2.08 -1.14 -1.83 119.36 121.82 1wi2 n ILE 45 Ca -0.22 -1.65 -0.09 0.00 0.56 0.00 0.00 62.75 61.34 1wi2 n ILE 45 Cb 0.55 -2.19 -0.09 0.00 -0.75 0.00 0.00 39.64 37.16 1wi2 n ILE 45 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1wi2 n SER 46 N 12.55 -0.90 -3.91 4.38 3.41 0.46 -3.91 113.62 125.70 1wi2 n SER 46 Ca 0.46 1.63 -0.09 0.00 -0.26 0.00 0.00 58.87 60.61 1wi2 n SER 46 Cb 0.45 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1wi2 n SER 46 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1wi2 s LYS 47 N -5.19 0.83 -0.04 4.33 2.36 -0.68 -4.86 119.74 116.49 1wi2 s LYS 47 Ca -0.10 -1.03 0.04 0.00 -2.55 0.00 0.00 55.97 52.33 1wi2 s LYS 47 Cb 0.09 0.32 -0.00 0.00 -1.05 0.00 0.00 37.83 37.19 1wi2 s LYS 47 CO 0.53 -0.25 -0.15 0.08 1.55 0.00 0.00 175.35 177.11 1wi2 s VAL 48 N -3.88 1.26 0.09 4.02 1.01 -1.26 0.19 120.40 121.83 1wi2 s VAL 48 Ca 0.06 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1wi2 s VAL 48 Cb 0.05 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1wi2 s VAL 48 CO -0.10 0.37 1.52 -0.63 0.00 0.00 0.00 175.10 176.26 1wi2 s ILE 49 N 0.09 3.11 -0.69 2.22 -1.09 0.51 -4.86 121.20 120.49 1wi2 s ILE 49 Ca -0.04 0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 59.01 1wi2 s ILE 49 Cb -0.11 -3.45 -0.13 0.00 -1.58 0.00 0.00 42.46 37.20 1wi2 s ILE 49 CO 0.02 0.03 2.65 -0.81 -1.23 0.00 0.00 174.94 175.59 1wi2 n PRO 50 N 4.70 2.23 0.00 2.79 -0.04 -1.26 -2.77 135.00 140.64 1wi2 n PRO 50 Ca 0.14 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1wi2 n PRO 50 Cb 0.41 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 3.35 0.00 -4.15 3.54 8.00 -1.26 -5.13 116.55 120.90 1wi2 n ASP 51 Ca 0.48 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.79 1wi2 n ASP 51 Cb 0.40 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1wi2 n ASP 51 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wi2 s SER 52 N 0.00 1.58 0.44 -2.24 1.04 -1.12 -5.01 113.70 108.39 1wi2 s SER 52 Ca 0.00 -1.49 0.12 0.00 0.48 0.00 0.00 55.95 55.06 1wi2 s SER 52 Cb 0.00 0.28 0.99 0.00 0.10 0.00 0.00 66.02 67.39 1wi2 s SER 52 CO 0.00 -0.82 2.01 0.44 0.98 0.00 0.00 173.24 175.86 1wi2 h ASP 53 N 2.23 0.12 0.37 7.02 3.32 -1.90 0.19 116.42 127.78 1wi2 h ASP 53 Ca -0.36 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 1wi2 h ASP 53 Cb 1.25 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1wi2 h ASP 53 CO 0.57 0.22 -0.36 0.00 -1.72 0.00 0.00 179.24 177.94 1wi2 h ALA 54 N 1.80 1.39 0.09 3.45 0.00 -1.84 1.45 119.26 125.59 1wi2 h ALA 54 Ca 0.03 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 1wi2 h ALA 54 Cb 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wi2 h ALA 54 CO 0.01 0.45 -1.15 1.25 0.00 0.00 0.00 179.25 179.81 1wi2 h HIS 55 N 0.00 0.64 0.00 0.00 6.17 -1.20 0.26 115.15 121.02 1wi2 h HIS 55 Ca -0.00 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.66 1wi2 h HIS 55 Cb 0.64 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1wi2 h HIS 55 CO 0.00 1.28 -0.49 0.00 0.71 0.00 0.00 177.93 179.43 1wi2 h ARG 56 N 0.16 0.00 -0.00 5.26 -0.00 -0.77 -3.17 114.38 115.86 1wi2 h ARG 56 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1wi2 h ARG 56 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.81 1wi2 h ARG 56 CO 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 179.97 180.10 1wi2 n ALA 57 N -1.88 2.64 -0.16 0.04 0.00 0.49 -4.87 120.51 116.77 1wi2 n ALA 57 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wi2 n ALA 57 Cb 0.46 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1wi2 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wi2 n GLY 58 N 1.29 0.89 3.60 0.00 0.00 -1.19 -4.97 105.19 104.80 1wi2 n GLY 58 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1wi2 n GLY 58 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wi2 n LEU 59 N 0.00 2.22 -4.05 0.99 7.94 0.90 -4.98 117.00 120.02 1wi2 n LEU 59 Ca 0.00 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.91 1wi2 n LEU 59 Cb 0.00 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 42.57 1wi2 n LEU 59 CO 0.00 -1.37 0.12 -1.10 -1.11 0.00 0.00 177.39 173.93 1wi2 s GLN 60 N -1.76 1.65 -0.24 1.96 -1.52 -1.26 -4.57 119.66 113.92 1wi2 s GLN 60 Ca 0.60 -1.48 -0.29 0.00 -1.95 0.00 0.00 55.36 52.24 1wi2 s GLN 60 Cb -0.63 0.44 -0.01 0.00 -0.22 0.00 0.00 33.01 32.60 1wi2 s GLN 60 CO 0.59 -0.68 1.29 -1.21 -0.25 0.00 0.00 175.29 175.04 1wi2 s GLU 61 N -3.64 4.04 0.00 2.91 2.02 -1.26 -2.91 118.70 119.86 1wi2 s GLU 61 Ca 0.27 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.69 1wi2 s GLU 61 Cb 0.00 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.40 1wi2 s GLU 61 CO 0.13 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.87 1wi2 n GLY 62 N 4.03 0.77 3.54 -1.39 0.00 -1.25 -5.03 105.19 105.85 1wi2 n GLY 62 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 1.50 -4.72 1.61 8.00 -1.15 -4.40 116.55 117.40 1wi2 n ASP 63 Ca 0.00 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 1wi2 n ASP 63 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 1wi2 n ASP 63 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wi2 s GLN 64 N 8.48 4.38 -0.70 -1.24 0.74 -1.26 -2.90 119.66 127.16 1wi2 s GLN 64 Ca 1.09 1.99 -0.22 0.00 0.05 0.00 0.00 55.36 58.26 1wi2 s GLN 64 Cb -0.47 -3.25 0.08 0.00 1.10 0.00 0.00 33.01 30.47 1wi2 s GLN 64 CO 0.31 -0.30 0.99 0.08 -0.55 0.00 0.00 175.29 175.82 1wi2 s VAL 65 N 0.64 4.37 0.03 1.34 1.01 0.24 -3.19 120.40 124.85 1wi2 s VAL 65 Ca 0.60 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1wi2 s VAL 65 Cb -0.35 -4.70 -0.12 0.00 0.00 0.00 0.00 36.38 31.21 1wi2 s VAL 65 CO 0.33 -1.47 1.28 -0.07 0.00 0.00 0.00 175.10 175.17 1wi2 h LEU 66 N 11.24 -0.65 -8.13 3.92 3.38 -0.58 -3.40 115.31 121.10 1wi2 h LEU 66 Ca -0.22 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1wi2 h LEU 66 Cb 1.06 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 1wi2 h LEU 66 CO 1.18 -0.45 -0.63 0.00 0.09 0.00 0.00 178.44 178.62 1wi2 s ALA 67 N -4.66 0.33 -0.02 1.53 0.00 -1.22 -2.05 121.76 115.67 1wi2 s ALA 67 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1wi2 s ALA 67 Cb 0.01 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1wi2 s ALA 67 CO 0.33 -0.36 -0.03 0.08 0.00 0.00 0.00 175.76 175.79 1wi2 s VAL 68 N -3.53 0.34 -1.82 0.00 1.01 0.27 -0.23 120.40 116.45 1wi2 s VAL 68 Ca 0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 1wi2 s VAL 68 Cb 0.05 -0.35 0.22 0.00 0.00 0.00 0.00 36.38 36.30 1wi2 s VAL 68 CO -0.09 0.15 0.61 -0.46 0.00 0.00 0.00 175.10 175.31 1wi2 n ASN 69 N 3.62 -2.00 0.00 3.32 0.23 -1.10 0.19 115.26 119.52 1wi2 n ASN 69 Ca -0.21 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 1wi2 n ASN 69 Cb 0.54 -1.73 0.00 0.00 -2.08 0.00 0.00 39.78 36.51 1wi2 n ASN 69 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1wi2 n ASP 70 N -2.46 0.00 -4.68 0.53 8.00 -1.26 -4.95 116.55 111.73 1wi2 n ASP 70 Ca 0.11 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.15 1wi2 n ASP 70 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 1wi2 n ASP 70 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wi2 n VAL 71 N 0.00 0.50 -2.31 2.53 0.31 0.51 -4.91 118.33 114.96 1wi2 n VAL 71 Ca 0.00 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 1wi2 n VAL 71 Cb 0.00 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 30.97 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 3.50 7.02 0.00 4.52 1.11 -1.26 0.96 116.67 132.52 1wi2 s ASP 72 Ca 0.89 2.46 0.12 0.00 0.18 0.00 0.00 52.55 56.20 1wi2 s ASP 72 Cb -0.62 -2.64 0.18 0.00 1.07 0.00 0.00 42.92 40.91 1wi2 s ASP 72 CO 0.46 -0.34 1.03 0.49 1.18 0.00 0.00 175.17 177.99 1wi2 n PHE 73 N 0.97 0.18 0.32 4.23 3.01 -0.87 -4.52 117.46 120.78 1wi2 n PHE 73 Ca -0.00 -0.18 0.15 0.00 1.01 0.00 0.00 57.45 58.43 1wi2 n PHE 73 Cb 0.43 -0.01 0.77 0.00 -0.01 0.00 0.00 39.48 40.67 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 2.34 0.00 -0.70 -1.08 4.20 -1.77 -3.17 115.11 114.92 1wi2 h GLN 74 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wi2 h GLN 74 Cb 0.60 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.22 1wi2 h GLN 74 CO 0.00 0.00 -0.36 -0.51 -0.67 0.00 0.00 178.83 177.29 1wi2 s ASP 75 N -4.41 -1.02 0.11 1.46 1.11 -1.26 -4.19 116.67 108.47 1wi2 s ASP 75 Ca -0.03 -1.21 0.03 0.00 0.18 0.00 0.00 52.55 51.52 1wi2 s ASP 75 Cb 0.09 1.34 -0.04 0.00 1.07 0.00 0.00 42.92 45.37 1wi2 s ASP 75 CO 0.28 -0.04 -0.08 -0.51 1.18 0.00 0.00 175.17 176.00 1wi2 s ILE 76 N 0.93 0.84 0.44 0.77 2.07 -1.23 -5.05 121.20 119.96 1wi2 s ILE 76 Ca 0.27 -1.93 -0.23 0.00 -1.41 0.00 0.00 60.65 57.35 1wi2 s ILE 76 Cb 0.05 -1.68 -0.08 0.00 0.13 0.00 0.00 42.46 40.88 1wi2 s ILE 76 CO -0.07 -0.81 1.13 -1.61 -1.91 0.00 0.00 174.94 171.67 1wi2 s GLU 77 N -3.69 3.89 0.11 3.50 8.01 -1.26 -4.74 118.70 124.52 1wi2 s GLU 77 Ca 0.12 1.69 -0.22 0.00 0.01 0.00 0.00 54.97 56.57 1wi2 s GLU 77 Cb 0.04 -2.45 -0.09 0.00 -4.31 0.00 0.00 34.13 27.32 1wi2 s GLU 77 CO -0.03 -0.42 1.72 1.25 0.01 0.00 0.00 175.26 177.79 1wi2 h HIS 78 N 2.19 -0.09 -0.27 1.61 -0.00 -1.98 0.16 115.15 116.76 1wi2 h HIS 78 Ca -0.49 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 59.94 1wi2 h HIS 78 Cb 1.24 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.65 1wi2 h HIS 78 CO 0.55 -0.06 -0.05 1.03 -0.00 0.00 0.00 177.93 179.39 1wi2 h SER 79 N -0.04 -0.22 -0.23 3.26 0.87 -1.98 0.98 113.55 116.19 1wi2 h SER 79 Ca 0.04 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1wi2 h SER 79 Cb 0.10 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1wi2 h SER 79 CO -0.10 -0.08 -0.04 0.50 -0.53 0.00 0.00 176.83 176.59 1wi2 h LYS 80 N 0.02 0.03 -0.94 2.24 3.64 -1.84 1.07 116.57 120.78 1wi2 h LYS 80 Ca 0.13 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 1wi2 h LYS 80 Cb 0.20 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1wi2 h LYS 80 CO -0.27 0.02 0.60 0.00 -2.27 0.00 0.00 179.45 177.53 1wi2 h ALA 81 N 1.22 1.69 -0.14 5.00 0.00 0.15 1.48 119.26 128.66 1wi2 h ALA 81 Ca 0.11 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1wi2 h ALA 81 Cb 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wi2 h ALA 81 CO -0.22 0.06 -0.62 0.28 0.00 0.00 0.00 179.25 178.75 1wi2 h VAL 82 N 0.83 1.32 0.60 0.00 2.07 0.10 -2.79 116.25 118.39 1wi2 h VAL 82 Ca 0.47 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1wi2 h VAL 82 Cb 0.62 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1wi2 h VAL 82 CO -0.24 0.58 -0.29 -0.33 0.02 0.00 0.00 177.57 177.32 1wi2 h GLU 83 N 0.34 -0.78 -0.97 1.57 3.07 0.31 -2.26 114.58 115.86 1wi2 h GLU 83 Ca -0.04 0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1wi2 h GLU 83 Cb 1.26 0.18 -0.14 0.00 -0.84 0.00 0.00 28.75 29.21 1wi2 h GLU 83 CO 0.13 -0.52 -0.50 0.82 -1.40 0.00 0.00 179.01 177.54 1wi2 h ILE 84 N -1.07 0.00 -0.44 3.13 2.04 0.19 1.30 117.51 122.65 1wi2 h ILE 84 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1wi2 h ILE 84 Cb 0.62 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.61 1wi2 h ILE 84 CO 0.14 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.84 1wi2 h LEU 85 N -0.02 -1.25 0.06 1.44 3.38 -1.52 1.22 115.31 118.61 1wi2 h LEU 85 Ca 0.24 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wi2 h LEU 85 Cb 0.50 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wi2 h LEU 85 CO -0.95 -0.34 -0.03 0.11 0.09 0.00 0.00 178.44 177.33 1wi2 h LYS 86 N -0.27 -0.08 -0.92 1.13 1.57 0.52 -3.13 116.57 115.40 1wi2 h LYS 86 Ca 0.17 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1wi2 h LYS 86 Cb 0.56 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.75 1wi2 h LYS 86 CO -0.58 -0.05 -0.39 0.25 -0.57 0.00 0.00 179.45 178.10 1wi2 n THR 87 N -2.23 -0.51 -1.54 -0.16 -2.24 0.40 -3.88 114.28 104.12 1wi2 n THR 87 Ca -0.01 2.16 -0.37 0.00 -2.27 0.00 0.00 64.05 63.57 1wi2 n THR 87 Cb 0.03 -2.82 -0.06 0.00 -2.10 0.00 0.00 70.33 65.38 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 -3.48 0.68 -0.31 6.98 0.00 0.42 -4.77 120.51 120.02 1wi2 n ALA 88 Ca 0.08 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.81 1wi2 n ALA 88 Cb 0.34 -3.03 0.22 0.00 0.00 0.00 0.00 19.45 16.99 1wi2 n ALA 88 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wi2 n ARG 89 N 8.89 -0.07 -4.72 0.00 1.85 -1.25 -3.93 116.66 117.43 1wi2 n ARG 89 Ca 0.43 1.36 -0.33 0.00 -1.00 0.00 0.00 57.85 58.31 1wi2 n ARG 89 Cb 0.44 -2.12 -0.16 0.00 -1.05 0.00 0.00 32.46 29.58 1wi2 n ARG 89 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1wi2 s GLU 90 N -5.95 3.10 -0.16 2.89 -1.05 -1.26 -4.36 118.70 111.91 1wi2 s GLU 90 Ca -0.12 -0.82 -0.25 0.00 -0.15 0.00 0.00 54.97 53.62 1wi2 s GLU 90 Cb 0.26 -2.48 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1wi2 s GLU 90 CO 0.70 0.04 0.84 0.42 0.95 0.00 0.00 175.26 178.20 1wi2 s ILE 91 N 0.72 4.88 -0.42 1.83 1.01 -1.25 -4.93 121.20 123.04 1wi2 s ILE 91 Ca -0.09 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.27 1wi2 s ILE 91 Cb -0.16 -4.15 0.20 0.00 0.01 0.00 0.00 42.46 38.37 1wi2 s ILE 91 CO 0.01 0.03 0.45 -1.20 0.00 0.00 0.00 174.94 174.24 1wi2 n SER 92 N 5.15 -0.66 -4.98 3.58 7.64 -1.26 -1.98 113.62 121.11 1wi2 n SER 92 Ca 0.04 -2.56 -0.20 0.00 1.01 0.00 0.00 58.87 57.16 1wi2 n SER 92 Cb 0.49 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.22 3.25 -0.25 1.43 0.23 -1.25 -2.72 119.30 119.77 1wi2 s MET 93 Ca 0.33 -0.83 -0.03 0.00 -1.03 0.00 0.00 55.69 54.13 1wi2 s MET 93 Cb 0.09 -2.81 0.02 0.00 -1.53 0.00 0.00 34.83 30.59 1wi2 s MET 93 CO -0.16 0.17 -0.03 1.03 -2.03 0.00 0.00 175.02 174.00 1wi2 s ARG 94 N -4.15 2.95 0.30 3.16 0.52 0.68 -1.96 118.95 120.46 1wi2 s ARG 94 Ca 0.41 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1wi2 s ARG 94 Cb -0.09 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 1wi2 s ARG 94 CO 0.31 -0.39 0.12 0.14 0.02 0.00 0.00 175.30 175.51 1wi2 s VAL 95 N 1.38 3.43 -0.10 3.52 -7.23 -0.10 0.16 120.40 121.46 1wi2 s VAL 95 Ca 0.01 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1wi2 s VAL 95 Cb -0.16 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 33.79 1wi2 s VAL 95 CO -0.03 -0.27 0.22 -0.60 -0.31 0.00 0.00 175.10 174.12 1wi2 s ARG 96 N -3.81 0.18 -0.97 4.82 3.52 -1.19 -0.51 118.95 120.99 1wi2 s ARG 96 Ca 0.35 0.49 -0.27 0.00 -0.13 0.00 0.00 55.73 56.17 1wi2 s ARG 96 Cb -0.05 -0.13 -0.23 0.00 -1.56 0.00 0.00 34.95 32.98 1wi2 s ARG 96 CO 0.23 -0.16 2.60 0.34 -0.81 0.00 0.00 175.30 177.49 1wi2 n PHE 97 N 4.21 0.53 -2.17 5.12 7.35 -1.26 -4.07 117.46 127.17 1wi2 n PHE 97 Ca -0.25 0.30 -0.40 0.00 -0.76 0.00 0.00 57.45 56.34 1wi2 n PHE 97 Cb 0.53 -2.12 0.00 0.00 0.35 0.00 0.00 39.48 38.24 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1wi2 n PHE 98 N 10.17 2.64 -3.65 -5.13 7.35 -1.26 -4.84 117.46 122.75 1wi2 n PHE 98 Ca 0.64 -2.76 -0.03 0.00 -0.76 0.00 0.00 57.45 54.55 1wi2 n PHE 98 Cb 0.08 -1.68 -0.07 0.00 0.35 0.00 0.00 39.48 38.16 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 -0.04 -0.06 0.48 -2.13 0.15 -1.26 -4.89 113.70 105.94 1wi2 s SER 99 Ca 0.50 0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.35 1wi2 s SER 99 Cb 0.18 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1wi2 s SER 99 CO -0.10 -0.02 0.60 -0.83 1.20 0.00 0.00 173.24 174.09 1wi2 s GLY 100 N 0.03 1.94 0.47 9.45 0.00 -1.26 -5.10 107.32 112.86 1wi2 s GLY 100 Ca 0.07 -1.83 -0.21 0.00 0.00 0.00 0.00 44.72 42.76 1wi2 s GLY 100 CO -0.16 -1.62 1.04 2.56 0.00 0.00 0.00 173.10 174.93 1wi2 s PRO 101 N -4.41 3.86 0.28 2.90 0.04 -1.26 -4.95 135.00 131.46 1wi2 s PRO 101 Ca 0.55 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1wi2 s PRO 101 Cb -0.07 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1wi2 s PRO 101 CO 0.33 -0.39 0.00 0.45 0.04 0.00 0.00 177.00 177.44 1wi2 n SER 102 N -0.82 -0.33 -4.55 6.66 2.88 -1.26 -5.01 113.62 111.18 1wi2 n SER 102 Ca 0.09 0.47 -0.39 0.00 -1.33 0.00 0.00 58.87 57.71 1wi2 n SER 102 Cb 0.52 0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 64.48 1wi2 n SER 102 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi2 s SER 103 N -4.87 5.95 0.00 -3.46 0.15 -1.26 -5.38 113.70 104.82 1wi2 s SER 103 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1wi2 s SER 103 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wi2 s SER 103 CO 0.00 -1.97 0.00 0.61 1.20 0.00 0.00 173.24 173.08