#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 -0.88 0.05 1.61 0.01 -1.26 -5.10 113.70 108.13 1wi2 s SER 2 Ca 0.00 1.44 0.04 0.00 1.31 0.00 0.00 55.95 58.73 1wi2 s SER 2 Cb 0.00 1.32 -0.03 0.00 0.21 0.00 0.00 66.02 67.53 1wi2 s SER 2 CO 0.00 -0.23 -0.11 -0.55 0.41 0.00 0.00 173.24 172.76 1wi2 s SER 3 N 1.49 1.25 0.09 2.44 0.15 -1.26 -5.16 113.70 112.71 1wi2 s SER 3 Ca -0.09 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1wi2 s SER 3 Cb -0.05 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1wi2 s SER 3 CO -0.17 -0.13 0.10 0.61 1.20 0.00 0.00 173.24 174.85 1wi2 n GLY 4 N 1.46 3.36 3.28 9.45 0.00 -1.26 -5.16 105.19 116.32 1wi2 n GLY 4 Ca -0.21 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.58 3.38 0.18 1.61 1.04 -1.26 -5.13 113.70 111.95 1wi2 s SER 5 Ca 0.09 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.12 1wi2 s SER 5 Cb 0.00 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 1wi2 s SER 5 CO 0.06 0.18 -0.02 -0.94 0.98 0.00 0.00 173.24 173.50 1wi2 s SER 6 N 0.23 4.64 0.00 7.02 1.04 -1.26 -4.98 113.70 120.38 1wi2 s SER 6 Ca -0.13 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1wi2 s SER 6 Cb -0.17 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1wi2 s SER 6 CO 0.07 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1wi2 n GLY 7 N -0.14 0.55 3.64 7.32 0.00 -1.26 -5.06 105.19 110.25 1wi2 n GLY 7 Ca -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wi2 s ASN 8 N -4.00 -0.86 -0.12 1.61 4.22 -1.26 -5.17 114.94 109.36 1wi2 s ASN 8 Ca 0.00 1.37 -0.19 0.00 -2.14 0.00 0.00 52.86 51.90 1wi2 s ASN 8 Cb 0.00 1.37 0.05 0.00 1.28 0.00 0.00 41.25 43.94 1wi2 s ASN 8 CO 0.00 -0.22 0.48 0.20 -2.04 0.00 0.00 177.10 175.52 1wi2 s ASN 9 N 1.60 -0.46 -0.47 3.54 0.01 -1.26 -5.12 114.94 112.79 1wi2 s ASN 9 Ca -0.10 0.73 0.07 0.00 -0.71 0.00 0.00 52.86 52.86 1wi2 s ASN 9 Cb -0.05 0.77 0.18 0.00 0.41 0.00 0.00 41.25 42.57 1wi2 s ASN 9 CO -0.19 -0.30 0.68 -0.70 -1.51 0.00 0.00 177.10 175.07 1wi2 s GLU 10 N -0.33 0.96 -0.40 -0.60 2.12 -1.26 -5.06 118.70 114.13 1wi2 s GLU 10 Ca -0.05 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.61 1wi2 s GLU 10 Cb -0.03 -0.01 0.21 0.00 0.26 0.00 0.00 34.13 34.55 1wi2 s GLU 10 CO 0.03 -1.27 0.43 1.47 -0.54 0.00 0.00 175.26 175.39 1wi2 n LEU 11 N 3.60 -0.14 -4.66 2.70 -0.00 -1.26 -5.10 117.00 112.15 1wi2 n LEU 11 Ca 0.15 -4.54 -0.43 0.00 -0.00 0.00 0.00 56.01 51.19 1wi2 n LEU 11 Cb 0.56 0.59 -0.02 0.00 -0.00 0.00 0.00 43.42 44.55 1wi2 n LEU 11 CO -0.00 1.97 1.23 -0.89 -0.00 0.00 0.00 177.39 179.69 1wi2 s THR 12 N -0.59 3.93 0.25 1.47 2.01 -1.26 -4.71 115.64 116.74 1wi2 s THR 12 Ca 0.34 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1wi2 s THR 12 Cb 0.11 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1wi2 s THR 12 CO -0.15 -0.13 0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1wi2 n GLN 13 N 6.93 0.00 -0.78 4.92 6.02 -1.26 -5.01 117.38 128.20 1wi2 n GLN 13 Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1wi2 n GLN 13 Cb 0.44 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.66 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1wi2 n PHE 14 N -3.17 0.00 -3.78 1.08 1.16 -1.26 -5.09 117.46 106.41 1wi2 n PHE 14 Ca 0.00 -0.29 -0.33 0.00 -1.87 0.00 0.00 57.45 54.96 1wi2 n PHE 14 Cb 0.00 0.39 -0.05 0.00 -1.61 0.00 0.00 39.48 38.22 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1wi2 s LEU 15 N 0.00 4.34 0.08 5.98 0.05 -1.26 -4.99 118.68 122.87 1wi2 s LEU 15 Ca 0.00 0.49 -0.30 0.00 0.05 0.00 0.00 54.13 54.37 1wi2 s LEU 15 Cb 0.00 -2.90 -0.06 0.00 -2.05 0.00 0.00 46.19 41.19 1wi2 s LEU 15 CO 0.00 0.18 1.16 -2.16 -0.55 0.00 0.00 176.35 174.98 1wi2 s PRO 16 N -2.16 4.47 0.52 1.48 0.04 -1.26 -4.77 135.00 133.33 1wi2 s PRO 16 Ca 0.33 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 1wi2 s PRO 16 Cb -0.13 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1wi2 s PRO 16 CO 0.21 -0.18 0.76 -0.98 0.04 0.00 0.00 177.00 176.85 1wi2 s ARG 17 N 0.80 2.75 -0.26 4.56 1.70 0.22 -4.87 118.95 123.85 1wi2 s ARG 17 Ca 0.56 -0.58 -0.01 0.00 -0.47 0.00 0.00 55.73 55.24 1wi2 s ARG 17 Cb -0.29 -2.48 0.04 0.00 -0.57 0.00 0.00 34.95 31.65 1wi2 s ARG 17 CO 0.30 -0.58 -0.06 0.42 -1.08 0.00 0.00 175.30 174.31 1wi2 s ILE 18 N -2.73 2.72 -0.69 4.99 -1.09 -1.26 -1.02 121.20 122.11 1wi2 s ILE 18 Ca 0.54 -1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.52 1wi2 s ILE 18 Cb -0.10 -2.48 0.15 0.00 -1.58 0.00 0.00 42.46 38.45 1wi2 s ILE 18 CO 0.39 0.06 0.72 -0.69 -1.23 0.00 0.00 174.94 174.20 1wi2 s VAL 19 N 1.25 5.15 -0.11 2.92 1.01 -1.08 -5.00 120.40 124.53 1wi2 s VAL 19 Ca -0.03 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 1wi2 s VAL 19 Cb -0.18 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 1wi2 s VAL 19 CO -0.04 -1.08 0.27 -0.89 0.00 0.00 0.00 175.10 173.36 1wi2 s THR 20 N 1.65 5.30 0.10 3.92 2.01 -1.26 -3.69 115.64 123.66 1wi2 s THR 20 Ca 0.14 0.50 0.09 0.00 0.31 0.00 0.00 61.69 62.72 1wi2 s THR 20 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1wi2 s THR 20 CO -0.01 0.51 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.48 1wi2 s LEU 21 N -0.37 2.66 -0.19 4.42 1.02 -0.64 -4.94 118.68 120.63 1wi2 s LEU 21 Ca 0.17 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 53.87 1wi2 s LEU 21 Cb -0.13 -1.52 -0.22 0.00 0.02 0.00 0.00 46.19 44.33 1wi2 s LEU 21 CO 0.06 0.20 0.10 1.17 0.02 0.00 0.00 176.35 177.90 1wi2 n LYS 22 N 1.01 0.68 -2.26 1.70 4.81 -1.26 -3.51 118.16 119.33 1wi2 n LYS 22 Ca -0.16 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1wi2 n LYS 22 Cb 0.53 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1wi2 n LYS 22 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1wi2 n LYS 23 N -3.07 -4.68 -1.54 1.64 4.81 -1.26 -4.94 118.16 109.11 1wi2 n LYS 23 Ca -0.35 3.37 -0.29 0.00 -0.87 0.00 0.00 58.31 60.17 1wi2 n LYS 23 Cb 1.07 -4.16 0.13 0.00 0.02 0.00 0.00 35.03 32.09 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 -0.51 1.33 -0.62 1.64 0.04 -1.26 -4.95 135.00 130.67 1wi2 s PRO 24 Ca 0.00 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 1wi2 s PRO 24 Cb 0.00 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1wi2 s PRO 24 CO 0.00 -2.08 1.53 -1.25 0.04 0.00 0.00 177.00 175.24 1wi2 s PRO 25 N -5.25 3.06 0.00 0.56 0.04 -1.26 -2.56 135.00 129.59 1wi2 s PRO 25 Ca 0.63 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1wi2 s PRO 25 Cb -0.15 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1wi2 s PRO 25 CO 0.53 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1wi2 n GLY 26 N 5.44 1.80 3.64 0.56 0.00 -1.26 -5.13 105.19 110.25 1wi2 n GLY 26 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1wi2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi2 n ALA 27 N -0.72 1.07 -2.98 4.61 0.00 -1.06 -5.10 120.51 116.33 1wi2 n ALA 27 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 53.44 51.29 1wi2 n ALA 27 Cb 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1wi2 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wi2 n GLN 28 N -2.06 0.63 0.00 0.00 6.02 -1.26 -5.01 117.38 115.70 1wi2 n GLN 28 Ca 0.11 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.65 1wi2 n GLN 28 Cb 0.57 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1wi2 n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wi2 n LEU 29 N 1.96 0.00 0.00 1.08 4.32 -1.26 -4.35 117.00 118.75 1wi2 n LEU 29 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1wi2 n LEU 29 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1wi2 n LEU 29 CO 0.08 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1wi2 n GLY 30 N 0.00 1.60 3.56 -0.72 0.00 -1.26 -4.46 105.19 103.91 1wi2 n GLY 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1wi2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wi2 s PHE 31 N -2.00 -0.26 0.41 1.61 -0.71 -1.26 0.19 117.98 115.96 1wi2 s PHE 31 Ca 0.00 0.12 0.07 0.00 -1.04 0.00 0.00 56.93 56.09 1wi2 s PHE 31 Cb 0.00 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1wi2 s PHE 31 CO 0.00 -0.50 0.24 -0.80 -1.34 0.00 0.00 175.22 172.82 1wi2 s ASN 32 N -2.50 4.62 -0.01 1.98 0.01 0.22 -4.94 114.94 114.32 1wi2 s ASN 32 Ca 0.07 -0.97 0.03 0.00 -0.71 0.00 0.00 52.86 51.29 1wi2 s ASN 32 Cb -0.01 -0.52 -0.01 0.00 0.41 0.00 0.00 41.25 41.13 1wi2 s ASN 32 CO -0.07 -0.57 -0.10 0.27 -1.51 0.00 0.00 177.10 175.13 1wi2 s ILE 33 N -2.55 0.79 0.40 0.60 -5.25 -1.26 -1.70 121.20 112.23 1wi2 s ILE 33 Ca 0.43 -0.42 0.05 0.00 -0.99 0.00 0.00 60.65 59.72 1wi2 s ILE 33 Cb 0.01 -0.67 -0.06 0.00 2.95 0.00 0.00 42.46 44.70 1wi2 s ILE 33 CO 0.24 0.23 0.04 0.00 -1.79 0.00 0.00 174.94 173.66 1wi2 s ARG 34 N -0.17 1.90 0.01 0.37 1.70 -0.91 -4.77 118.95 117.09 1wi2 s ARG 34 Ca 0.03 -2.11 0.00 0.00 -0.47 0.00 0.00 55.73 53.18 1wi2 s ARG 34 Cb -0.05 -1.25 0.00 0.00 -0.57 0.00 0.00 34.95 33.09 1wi2 s ARG 34 CO -0.00 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.43 1wi2 n GLY 35 N -0.92 -3.54 0.00 3.88 0.00 -1.25 -2.33 105.19 101.04 1wi2 n GLY 35 Ca -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.16 3.40 2.05 -0.02 0.00 -1.26 -4.13 105.19 105.39 1wi2 n GLY 36 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 1.61 2.85 -1.26 -4.23 118.16 117.13 1wi2 n LYS 37 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1wi2 n LYS 37 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -3.21 0.00 -0.33 0.58 0.00 -1.26 -4.94 120.51 111.35 1wi2 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wi2 n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.04 0.00 0.00 0.00 2.88 -1.26 -4.96 113.62 108.24 1wi2 n SER 39 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1wi2 n SER 39 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -1.92 0.00 0.00 -1.46 10.64 -1.26 -5.09 117.38 118.30 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1wi2 n LEU 41 N 0.00 0.00 -3.98 2.61 -0.00 -1.26 -4.52 117.00 109.85 1wi2 n LEU 41 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1wi2 n LEU 41 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1wi2 n LEU 41 CO 0.00 -0.01 -0.15 -0.83 -0.00 0.00 0.00 177.39 176.40 1wi2 s GLY 42 N -0.08 0.45 -0.41 -3.96 0.00 -1.26 -4.60 107.32 97.46 1wi2 s GLY 42 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 1wi2 s GLY 42 CO 0.00 -1.00 0.34 -0.42 0.00 0.00 0.00 173.10 172.02 1wi2 s ILE 43 N -3.94 5.20 0.33 0.90 -1.09 -1.20 -3.78 121.20 117.61 1wi2 s ILE 43 Ca 0.13 -0.50 0.09 0.00 -2.23 0.00 0.00 60.65 58.14 1wi2 s ILE 43 Cb 0.05 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 1wi2 s ILE 43 CO -0.05 -0.31 -0.10 -0.36 -1.23 0.00 0.00 174.94 172.89 1wi2 s PHE 44 N 1.84 2.33 -0.92 3.97 0.40 -0.98 -0.10 117.98 124.52 1wi2 s PHE 44 Ca 0.08 -0.51 -0.24 0.00 -0.60 0.00 0.00 56.93 55.65 1wi2 s PHE 44 Cb -0.18 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1wi2 s PHE 44 CO 0.11 0.56 1.84 0.42 0.70 0.00 0.00 175.22 178.85 1wi2 s ILE 45 N -2.66 3.55 0.08 0.64 -1.09 -1.20 -2.13 121.20 118.39 1wi2 s ILE 45 Ca 0.32 -0.43 -0.36 0.00 -2.23 0.00 0.00 60.65 57.94 1wi2 s ILE 45 Cb 0.02 -4.23 -0.18 0.00 -1.58 0.00 0.00 42.46 36.49 1wi2 s ILE 45 CO 0.16 -1.16 1.57 0.77 -1.23 0.00 0.00 174.94 175.04 1wi2 h SER 46 N 11.07 -1.35 -5.01 3.58 4.64 -1.63 -3.25 113.55 121.60 1wi2 h SER 46 Ca 0.11 0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 1wi2 h SER 46 Cb 1.01 0.43 -0.20 0.00 -0.31 0.00 0.00 62.40 63.33 1wi2 h SER 46 CO 1.26 -0.71 -0.45 -0.75 -0.87 0.00 0.00 176.83 175.31 1wi2 s LYS 47 N -5.89 0.55 -0.06 4.77 2.20 -1.20 -4.89 119.74 115.23 1wi2 s LYS 47 Ca -0.18 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1wi2 s LYS 47 Cb 0.04 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1wi2 s LYS 47 CO 0.60 -0.14 -0.14 0.08 -0.36 0.00 0.00 175.35 175.39 1wi2 s VAL 48 N -1.70 1.25 0.11 4.02 1.01 -1.26 0.70 120.40 124.52 1wi2 s VAL 48 Ca -0.12 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1wi2 s VAL 48 Cb -0.06 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1wi2 s VAL 48 CO 0.00 0.37 1.54 -0.63 0.00 0.00 0.00 175.10 176.39 1wi2 s ILE 49 N 0.42 2.99 -0.75 2.22 -1.09 0.52 -4.86 121.20 120.65 1wi2 s ILE 49 Ca -0.11 0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 1wi2 s ILE 49 Cb -0.14 -3.40 -0.12 0.00 -1.58 0.00 0.00 42.46 37.22 1wi2 s ILE 49 CO 0.03 0.03 2.62 -0.81 -1.23 0.00 0.00 174.94 175.58 1wi2 n PRO 50 N 4.61 2.29 0.00 2.79 -0.04 -1.26 -2.91 135.00 140.47 1wi2 n PRO 50 Ca 0.14 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1wi2 n PRO 50 Cb 0.40 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.44 0.00 -2.87 3.54 8.00 -1.26 -5.13 116.55 122.26 1wi2 n ASP 51 Ca 0.49 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.84 1wi2 n ASP 51 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.01 -0.13 -2.24 3.41 -1.15 -5.03 113.62 109.50 1wi2 n SER 52 Ca 0.00 -2.30 -0.13 0.00 -0.26 0.00 0.00 58.87 56.18 1wi2 n SER 52 Cb 0.00 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.99 1.02 0.30 4.04 3.32 -1.90 -2.84 116.42 121.34 1wi2 h ASP 53 Ca -0.19 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 1wi2 h ASP 53 Cb 0.73 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1wi2 h ASP 53 CO 0.29 1.25 -0.15 0.00 -1.72 0.00 0.00 179.24 178.92 1wi2 h ALA 54 N 0.80 -0.41 -1.14 3.45 0.00 -1.88 1.37 119.26 121.45 1wi2 h ALA 54 Ca 0.07 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.19 1wi2 h ALA 54 Cb 0.94 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1wi2 h ALA 54 CO 0.09 -0.69 0.77 1.25 0.00 0.00 0.00 179.25 180.67 1wi2 h HIS 55 N -0.48 0.37 0.15 0.00 -0.00 -1.75 0.28 115.15 113.71 1wi2 h HIS 55 Ca -0.04 0.01 -0.32 0.00 -0.00 0.00 0.00 60.37 60.03 1wi2 h HIS 55 Cb 0.36 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1wi2 h HIS 55 CO -0.04 0.01 -1.59 0.00 -0.00 0.00 0.00 177.93 176.31 1wi2 h ARG 56 N 0.20 0.32 -0.17 5.26 3.08 -1.10 -3.29 114.38 118.68 1wi2 h ARG 56 Ca 0.61 -0.55 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1wi2 h ARG 56 Cb 1.95 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 1wi2 h ARG 56 CO -0.19 1.26 0.38 0.00 -1.07 0.00 0.00 179.97 180.35 1wi2 h ALA 57 N 0.04 1.67 0.00 0.04 0.00 0.52 -3.44 119.26 118.09 1wi2 h ALA 57 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wi2 h ALA 57 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wi2 h ALA 57 CO 0.12 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1wi2 n GLY 58 N -1.34 1.74 3.79 0.00 0.00 0.02 -4.99 105.19 104.40 1wi2 n GLY 58 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1wi2 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wi2 s LEU 59 N 0.00 4.35 -0.09 0.99 2.96 -0.42 -5.03 118.68 121.44 1wi2 s LEU 59 Ca 0.00 1.76 -0.05 0.00 -0.22 0.00 0.00 54.13 55.61 1wi2 s LEU 59 Cb 0.00 -3.92 0.04 0.00 0.50 0.00 0.00 46.19 42.80 1wi2 s LEU 59 CO 0.00 -0.04 0.21 -1.10 -1.32 0.00 0.00 176.35 174.10 1wi2 s GLN 60 N -2.02 0.20 -0.84 1.98 -0.21 -1.26 -4.68 119.66 112.83 1wi2 s GLN 60 Ca 0.49 0.42 -0.29 0.00 0.02 0.00 0.00 55.36 55.99 1wi2 s GLN 60 Cb -0.18 -0.05 -0.17 0.00 1.00 0.00 0.00 33.01 33.60 1wi2 s GLN 60 CO 0.23 -0.12 2.60 0.39 -2.12 0.00 0.00 175.29 176.28 1wi2 n GLU 61 N 3.80 0.33 0.00 2.91 1.02 -1.26 -0.64 120.64 126.80 1wi2 n GLU 61 Ca -0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1wi2 n GLU 61 Cb 0.55 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 6.34 2.39 3.53 0.62 0.00 -1.23 -5.00 105.19 111.85 1wi2 n GLY 62 Ca 0.57 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 1.37 -4.77 1.61 9.92 0.19 -4.65 116.55 120.21 1wi2 n ASP 63 Ca 0.00 -0.43 -0.40 0.00 -0.53 0.00 0.00 54.79 53.43 1wi2 n ASP 63 Cb 0.00 -1.32 -0.00 0.00 -0.64 0.00 0.00 41.12 39.16 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 8.49 3.97 -0.60 -1.24 0.74 -1.25 -3.24 119.66 126.53 1wi2 s GLN 64 Ca 1.11 2.18 -0.15 0.00 0.05 0.00 0.00 55.36 58.55 1wi2 s GLN 64 Cb -0.54 -2.77 0.15 0.00 1.10 0.00 0.00 33.01 30.95 1wi2 s GLN 64 CO 0.33 -0.50 0.55 0.08 -0.55 0.00 0.00 175.29 175.20 1wi2 s VAL 65 N -1.25 5.26 0.03 1.34 1.01 0.85 -3.36 120.40 124.29 1wi2 s VAL 65 Ca 0.57 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1wi2 s VAL 65 Cb -0.39 -4.35 -0.11 0.00 0.00 0.00 0.00 36.38 31.54 1wi2 s VAL 65 CO 0.50 -0.90 1.29 -0.07 0.00 0.00 0.00 175.10 175.92 1wi2 h LEU 66 N 8.64 -0.60 -8.28 3.92 3.38 0.45 -3.40 115.31 119.41 1wi2 h LEU 66 Ca -0.21 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 1wi2 h LEU 66 Cb 1.09 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.83 1wi2 h LEU 66 CO 0.97 -0.42 -0.70 0.00 0.09 0.00 0.00 178.44 178.39 1wi2 s ALA 67 N -4.53 0.68 -0.18 1.53 0.00 -1.21 -0.61 121.76 117.43 1wi2 s ALA 67 Ca -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1wi2 s ALA 67 Cb 0.01 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1wi2 s ALA 67 CO 0.31 -0.21 -0.03 0.08 0.00 0.00 0.00 175.76 175.90 1wi2 s VAL 68 N -2.96 1.07 -1.27 0.00 1.01 0.51 0.78 120.40 119.54 1wi2 s VAL 68 Ca 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1wi2 s VAL 68 Cb 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1wi2 s VAL 68 CO -0.05 0.01 0.94 0.59 0.00 0.00 0.00 175.10 176.60 1wi2 n ASN 69 N 4.87 -2.55 0.00 3.32 3.02 -0.95 -1.94 115.26 121.03 1wi2 n ASN 69 Ca -0.11 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1wi2 n ASN 69 Cb 0.47 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 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 -4.65 6.41 2.03 -1.26 -4.95 116.55 111.05 1wi2 n ASP 70 Ca -0.23 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.61 1wi2 n ASP 70 Cb 0.65 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.26 -2.63 5.18 0.31 -0.82 -4.92 118.33 115.72 1wi2 n VAL 71 Ca 0.00 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 1wi2 n VAL 71 Cb 0.00 -1.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 1wi2 n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wi2 s ASP 72 N 0.65 7.09 -0.25 4.52 2.15 -1.26 0.19 116.67 129.76 1wi2 s ASP 72 Ca 0.77 2.00 0.10 0.00 0.43 0.00 0.00 52.55 55.85 1wi2 s ASP 72 Cb -0.73 -2.59 0.46 0.00 -0.30 0.00 0.00 42.92 39.77 1wi2 s ASP 72 CO 0.43 -0.25 1.35 0.49 -0.17 0.00 0.00 175.17 177.01 1wi2 n PHE 73 N 0.43 0.59 0.02 -5.34 3.01 0.22 -4.59 117.46 111.79 1wi2 n PHE 73 Ca 0.03 -1.53 -0.11 0.00 1.01 0.00 0.00 57.45 56.85 1wi2 n PHE 73 Cb 0.49 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.45 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 0.99 0.07 -2.14 -1.08 4.20 -1.82 -3.19 115.11 112.14 1wi2 h GLN 74 Ca 0.12 -0.12 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1wi2 h GLN 74 Cb 1.36 0.04 -0.38 0.00 0.30 0.00 0.00 27.48 28.80 1wi2 h GLN 74 CO 0.21 0.79 -1.04 -0.25 -0.67 0.00 0.00 178.83 177.87 1wi2 n ASP 75 N -3.23 -0.18 -4.05 1.46 8.00 -1.26 -4.45 116.55 112.83 1wi2 n ASP 75 Ca -0.13 -2.55 -0.08 0.00 0.71 0.00 0.00 54.79 52.73 1wi2 n ASP 75 Cb 1.02 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1wi2 s ILE 76 N -0.60 0.18 0.64 0.53 2.07 -1.26 -5.10 121.20 117.66 1wi2 s ILE 76 Ca 0.34 -1.45 -0.15 0.00 -1.41 0.00 0.00 60.65 57.98 1wi2 s ILE 76 Cb 0.11 -1.02 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1wi2 s ILE 76 CO -0.15 -0.80 1.09 -1.61 -1.91 0.00 0.00 174.94 171.56 1wi2 s GLU 77 N -2.94 2.97 0.06 3.50 0.41 -1.26 -4.71 118.70 116.72 1wi2 s GLU 77 Ca -0.02 1.31 -0.23 0.00 -0.41 0.00 0.00 54.97 55.62 1wi2 s GLU 77 Cb 0.01 -1.98 -0.16 0.00 -1.78 0.00 0.00 34.13 30.22 1wi2 s GLU 77 CO -0.06 -1.11 1.58 1.25 -0.49 0.00 0.00 175.26 176.43 1wi2 h HIS 78 N 0.13 0.04 -0.81 1.61 -0.00 -1.85 -0.45 115.15 113.82 1wi2 h HIS 78 Ca -0.47 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 59.99 1wi2 h HIS 78 Cb 1.24 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.56 1wi2 h HIS 78 CO 0.56 0.20 0.47 1.03 -0.00 0.00 0.00 177.93 180.18 1wi2 h SER 79 N -0.12 0.67 -0.33 3.26 0.87 -1.93 0.18 113.55 116.15 1wi2 h SER 79 Ca 0.01 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1wi2 h SER 79 Cb 0.17 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1wi2 h SER 79 CO -0.00 0.39 0.18 0.50 -0.53 0.00 0.00 176.83 177.37 1wi2 h LYS 80 N 0.79 0.46 -0.83 2.24 3.64 -1.87 1.37 116.57 122.37 1wi2 h LYS 80 Ca 0.39 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1wi2 h LYS 80 Cb 0.35 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1wi2 h LYS 80 CO -0.24 0.38 0.55 0.00 -2.27 0.00 0.00 179.45 177.86 1wi2 h ALA 81 N 1.05 1.46 -0.06 5.00 0.00 0.24 1.02 119.26 127.96 1wi2 h ALA 81 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1wi2 h ALA 81 Cb 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1wi2 h ALA 81 CO -0.02 0.48 -0.51 0.28 0.00 0.00 0.00 179.25 179.48 1wi2 h VAL 82 N 1.07 1.40 0.88 0.00 2.07 0.05 -2.94 116.25 118.78 1wi2 h VAL 82 Ca 0.32 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1wi2 h VAL 82 Cb -0.04 2.37 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1wi2 h VAL 82 CO -0.08 0.56 -0.42 -0.33 0.02 0.00 0.00 177.57 177.32 1wi2 h GLU 83 N -0.00 -1.13 -0.23 1.57 5.08 0.25 -1.81 114.58 118.30 1wi2 h GLU 83 Ca -0.05 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1wi2 h GLU 83 Cb 1.18 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1wi2 h GLU 83 CO 0.10 -0.76 -0.15 0.82 -1.00 0.00 0.00 179.01 178.03 1wi2 h ILE 84 N -1.31 0.00 -0.91 3.13 2.04 0.95 1.06 117.51 122.46 1wi2 h ILE 84 Ca -0.12 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.85 1wi2 h ILE 84 Cb 0.90 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 1wi2 h ILE 84 CO 0.20 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.77 1wi2 h LEU 85 N -0.02 -1.84 0.00 1.44 3.38 -1.56 1.25 115.31 117.95 1wi2 h LEU 85 Ca 0.04 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wi2 h LEU 85 Cb 0.11 0.85 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1wi2 h LEU 85 CO -0.22 -0.27 0.00 0.29 0.09 0.00 0.00 178.44 178.32 1wi2 n LYS 86 N -5.35 0.00 -0.31 1.13 5.02 0.20 -3.08 118.16 115.78 1wi2 n LYS 86 Ca 0.04 0.41 -0.08 0.00 -2.02 0.00 0.00 58.31 56.66 1wi2 n LYS 86 Cb 0.32 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 1wi2 n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wi2 n THR 87 N -1.47 -0.50 -1.44 -0.18 -2.24 0.34 -4.28 114.28 104.51 1wi2 n THR 87 Ca 0.00 2.02 -0.60 0.00 -2.27 0.00 0.00 64.05 63.20 1wi2 n THR 87 Cb 0.00 -2.51 -0.10 0.00 -2.10 0.00 0.00 70.33 65.61 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 -3.26 -0.04 -0.15 6.98 0.00 0.42 -4.78 120.51 119.69 1wi2 n ALA 88 Ca 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1wi2 n ALA 88 Cb 0.19 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.56 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 8.46 0.28 -5.29 0.00 0.11 -1.82 -3.40 114.38 112.73 1wi2 h ARG 89 Ca -0.24 -0.02 -0.67 0.00 0.10 0.00 0.00 59.98 59.15 1wi2 h ARG 89 Cb 1.38 -0.06 -0.31 0.00 1.11 0.00 0.00 29.97 32.09 1wi2 h ARG 89 CO 1.04 0.19 -0.84 -1.83 0.10 0.00 0.00 179.97 178.63 1wi2 s GLU 90 N -6.14 3.15 -0.05 0.08 -1.05 -1.26 -4.89 118.70 108.55 1wi2 s GLU 90 Ca -0.13 -0.81 -0.23 0.00 -0.15 0.00 0.00 54.97 53.65 1wi2 s GLU 90 Cb 0.15 -2.46 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 1wi2 s GLU 90 CO 0.73 0.13 0.68 0.42 0.95 0.00 0.00 175.26 178.17 1wi2 s ILE 91 N 0.50 5.00 -0.48 1.83 1.01 -1.23 -4.96 121.20 122.88 1wi2 s ILE 91 Ca -0.13 1.42 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1wi2 s ILE 91 Cb -0.17 -4.02 0.23 0.00 0.01 0.00 0.00 42.46 38.51 1wi2 s ILE 91 CO 0.05 0.29 0.76 -0.24 0.00 0.00 0.00 174.94 175.81 1wi2 n SER 92 N 3.50 -2.39 -4.98 3.58 2.88 -1.26 -1.63 113.62 113.32 1wi2 n SER 92 Ca -0.02 -3.07 -0.20 0.00 -1.33 0.00 0.00 58.87 54.25 1wi2 n SER 92 Cb 0.51 1.28 -0.01 0.00 -0.75 0.00 0.00 64.21 65.25 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 0.40 3.18 -0.28 -1.46 0.23 -1.24 -2.23 119.30 117.90 1wi2 s MET 93 Ca 0.32 -0.88 -0.10 0.00 -1.03 0.00 0.00 55.69 54.00 1wi2 s MET 93 Cb 0.16 -2.80 -0.03 0.00 -1.53 0.00 0.00 34.83 30.63 1wi2 s MET 93 CO -0.18 0.09 0.15 0.50 -2.03 0.00 0.00 175.02 173.55 1wi2 s ARG 94 N -4.19 3.68 0.31 3.16 3.52 0.23 -2.63 118.95 123.04 1wi2 s ARG 94 Ca 0.43 -0.48 0.10 0.00 -0.13 0.00 0.00 55.73 55.65 1wi2 s ARG 94 Cb -0.09 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.70 1wi2 s ARG 94 CO 0.32 -0.26 -0.07 0.14 -0.81 0.00 0.00 175.30 174.62 1wi2 s VAL 95 N 1.68 2.67 0.05 7.11 -7.23 -0.19 0.11 120.40 124.60 1wi2 s VAL 95 Ca 0.06 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.83 1wi2 s VAL 95 Cb -0.16 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1wi2 s VAL 95 CO 0.08 -0.30 0.62 -0.60 -0.31 0.00 0.00 175.10 174.59 1wi2 s ARG 96 N -3.63 1.14 0.02 4.82 3.52 -1.21 0.73 118.95 124.34 1wi2 s ARG 96 Ca 0.32 -0.11 -0.32 0.00 -0.13 0.00 0.00 55.73 55.49 1wi2 s ARG 96 Cb -0.02 0.53 -0.11 0.00 -1.56 0.00 0.00 34.95 33.79 1wi2 s ARG 96 CO 0.18 -0.43 1.88 1.97 -0.81 0.00 0.00 175.30 178.09 1wi2 n PHE 97 N 0.31 2.45 -2.32 5.12 -1.74 -1.26 -3.86 117.46 116.16 1wi2 n PHE 97 Ca -0.18 -0.15 -0.27 0.00 -0.56 0.00 0.00 57.45 56.29 1wi2 n PHE 97 Cb 0.61 -2.72 0.01 0.00 1.52 0.00 0.00 39.48 38.90 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 6.49 3.23 -3.64 2.97 7.35 -1.26 -4.97 117.46 127.63 1wi2 n PHE 98 Ca 0.20 -2.86 -0.05 0.00 -0.76 0.00 0.00 57.45 53.98 1wi2 n PHE 98 Cb 0.35 -0.22 -0.06 0.00 0.35 0.00 0.00 39.48 39.90 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 -3.42 -0.93 0.96 -2.13 0.15 -1.26 -5.03 113.70 102.04 1wi2 s SER 99 Ca 0.49 1.44 -0.15 0.00 0.70 0.00 0.00 55.95 58.43 1wi2 s SER 99 Cb 0.41 1.53 0.18 0.00 -1.71 0.00 0.00 66.02 66.43 1wi2 s SER 99 CO -0.14 -0.22 1.24 -0.83 1.20 0.00 0.00 173.24 174.49 1wi2 s GLY 100 N 1.84 1.69 -1.19 9.45 0.00 -1.26 -4.89 107.32 112.97 1wi2 s GLY 100 Ca -0.09 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 1wi2 s GLY 100 CO -0.19 -0.27 2.49 -1.55 0.00 0.00 0.00 173.10 173.58 1wi2 n PRO 101 N -3.82 2.75 -2.82 2.90 -0.04 -1.26 -4.64 135.00 128.07 1wi2 n PRO 101 Ca 0.12 -1.75 -0.02 0.00 -0.04 0.00 0.00 63.50 61.82 1wi2 n PRO 101 Cb 0.60 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 1wi2 n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi2 n SER 102 N 3.89 -4.72 -4.39 3.54 2.88 -1.26 -4.91 113.62 108.64 1wi2 n SER 102 Ca 0.59 1.16 -0.31 0.00 -1.33 0.00 0.00 58.87 58.98 1wi2 n SER 102 Cb 0.19 -4.01 0.21 0.00 -0.75 0.00 0.00 64.21 59.85 1wi2 n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi2 n SER 103 N 1.57 -1.96 0.00 -3.46 3.41 -1.26 -5.30 113.62 106.62 1wi2 n SER 103 Ca -0.17 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1wi2 n SER 103 Cb 0.33 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1wi2 n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49