#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 4.46 0.82 1.61 0.15 -1.26 -5.11 113.70 114.37 1wi2 s SER 2 Ca 0.00 -1.00 -0.12 0.00 0.70 0.00 0.00 55.95 55.53 1wi2 s SER 2 Cb 0.00 -1.67 0.08 0.00 -1.71 0.00 0.00 66.02 62.72 1wi2 s SER 2 CO 0.00 -0.16 1.13 -0.94 1.20 0.00 0.00 173.24 174.47 1wi2 s SER 3 N 1.30 4.40 0.00 5.45 1.04 -1.26 -5.08 113.70 119.55 1wi2 s SER 3 Ca -0.02 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1wi2 s SER 3 Cb -0.18 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1wi2 s SER 3 CO -0.04 -1.99 0.00 0.61 0.98 0.00 0.00 173.24 172.80 1wi2 n GLY 4 N -2.68 0.48 2.47 7.32 0.00 -1.26 -5.09 105.19 106.42 1wi2 n GLY 4 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1wi2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wi2 n SER 5 N 0.00 -5.49 -4.73 1.61 7.64 -1.26 -4.89 113.62 106.51 1wi2 n SER 5 Ca 0.00 1.62 -0.41 0.00 1.01 0.00 0.00 58.87 61.08 1wi2 n SER 5 Cb 0.00 -5.00 -0.04 0.00 -1.01 0.00 0.00 64.21 58.17 1wi2 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wi2 s SER 6 N -0.58 7.15 -0.03 6.43 1.04 -1.26 -5.01 113.70 121.44 1wi2 s SER 6 Ca -0.12 2.13 -0.21 0.00 0.48 0.00 0.00 55.95 58.24 1wi2 s SER 6 Cb 0.01 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1wi2 s SER 6 CO 0.32 -0.34 0.60 -0.83 0.98 0.00 0.00 173.24 173.96 1wi2 s GLY 7 N 0.27 2.59 0.05 7.32 0.00 -1.26 -5.07 107.32 111.22 1wi2 s GLY 7 Ca 0.53 0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.31 1wi2 s GLY 7 CO 0.34 0.83 -0.10 0.54 0.00 0.00 0.00 173.10 174.70 1wi2 s ASN 8 N 0.07 1.20 0.14 1.64 2.20 -1.26 -5.16 114.94 113.77 1wi2 s ASN 8 Ca 0.32 -0.54 0.06 0.00 -0.94 0.00 0.00 52.86 51.76 1wi2 s ASN 8 Cb -0.18 -0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.02 1wi2 s ASN 8 CO 0.17 -0.12 -0.14 0.20 -2.94 0.00 0.00 177.10 174.27 1wi2 s ASN 9 N -1.51 2.10 -1.07 3.54 -0.87 -1.26 -5.08 114.94 110.79 1wi2 s ASN 9 Ca -0.05 -0.87 -0.06 0.00 -1.57 0.00 0.00 52.86 50.31 1wi2 s ASN 9 Cb -0.09 -0.08 0.29 0.00 -0.02 0.00 0.00 41.25 41.35 1wi2 s ASN 9 CO 0.01 -0.17 1.26 -0.62 -2.57 0.00 0.00 177.10 175.01 1wi2 n GLU 10 N 0.29 3.90 -3.13 -0.60 1.02 -1.26 -4.81 120.64 116.05 1wi2 n GLU 10 Ca -0.14 -4.51 -0.19 0.00 -0.02 0.00 0.00 57.16 52.30 1wi2 n GLU 10 Cb 0.58 -2.51 -0.05 0.00 -0.02 0.00 0.00 31.44 29.43 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wi2 n LEU 11 N 1.97 -1.13 -3.37 -4.62 4.77 -1.26 -5.07 117.00 108.28 1wi2 n LEU 11 Ca 0.25 -4.08 -0.13 0.00 -0.03 0.00 0.00 56.01 52.03 1wi2 n LEU 11 Cb 0.36 0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 42.02 1wi2 n LEU 11 CO 0.58 1.96 -0.11 -0.89 -1.33 0.00 0.00 177.39 177.60 1wi2 s THR 12 N -0.11 -0.51 0.00 -5.08 2.01 -1.26 -4.92 115.64 105.77 1wi2 s THR 12 Ca 0.33 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1wi2 s THR 12 Cb 0.10 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1wi2 s THR 12 CO -0.15 -0.27 0.00 0.00 -0.69 0.00 0.00 174.62 173.50 1wi2 n GLN 13 N 5.34 0.00 -2.70 4.92 10.64 -1.26 -5.00 117.38 129.33 1wi2 n GLN 13 Ca -0.02 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.07 1wi2 n GLN 13 Cb 0.49 -0.07 0.10 0.00 -0.86 0.00 0.00 30.24 29.90 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1wi2 n PHE 14 N -1.95 -1.78 -0.98 2.61 3.72 -1.26 -5.14 117.46 112.67 1wi2 n PHE 14 Ca 0.00 -2.10 -0.35 0.00 -0.05 0.00 0.00 57.45 54.95 1wi2 n PHE 14 Cb 0.00 1.22 0.08 0.00 -0.94 0.00 0.00 39.48 39.84 1wi2 n PHE 14 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wi2 n LEU 15 N -0.47 -2.10 0.00 4.37 7.99 -1.26 -4.98 117.00 120.56 1wi2 n LEU 15 Ca -0.00 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1wi2 n LEU 15 Cb 0.84 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 1wi2 n LEU 15 CO -0.01 -4.38 0.00 -0.81 -1.51 0.00 0.00 177.39 170.68 1wi2 n PRO 16 N 0.05 -0.16 -3.96 3.23 -0.04 -1.26 -5.03 135.00 127.82 1wi2 n PRO 16 Ca 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1wi2 n PRO 16 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 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 -2.31 0.43 -0.44 0.54 1.70 -1.06 -5.03 118.95 112.78 1wi2 s ARG 17 Ca 0.00 -0.67 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 1wi2 s ARG 17 Cb 0.00 0.16 0.11 0.00 -0.57 0.00 0.00 34.95 34.65 1wi2 s ARG 17 CO 0.00 -0.09 0.28 0.42 -1.08 0.00 0.00 175.30 174.83 1wi2 s ILE 18 N -1.95 3.89 -0.70 4.99 -1.09 -1.26 -2.39 121.20 122.68 1wi2 s ILE 18 Ca -0.11 -1.80 -0.19 0.00 -2.23 0.00 0.00 60.65 56.32 1wi2 s ILE 18 Cb -0.06 -3.55 0.11 0.00 -1.58 0.00 0.00 42.46 37.38 1wi2 s ILE 18 CO -0.02 -0.69 0.87 -0.69 -1.23 0.00 0.00 174.94 173.18 1wi2 s VAL 19 N 1.30 4.73 -0.06 2.92 1.01 -0.89 -4.98 120.40 124.44 1wi2 s VAL 19 Ca 0.06 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1wi2 s VAL 19 Cb -0.24 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1wi2 s VAL 19 CO -0.01 -1.29 0.28 -0.89 0.00 0.00 0.00 175.10 173.18 1wi2 s THR 20 N 2.85 5.26 0.19 3.92 2.01 -1.26 -3.65 115.64 124.96 1wi2 s THR 20 Ca 0.19 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1wi2 s THR 20 Cb -0.17 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1wi2 s THR 20 CO 0.03 0.60 0.07 -0.76 -0.69 0.00 0.00 174.62 173.86 1wi2 s LEU 21 N -1.02 3.52 -0.19 4.42 1.02 -0.98 -4.98 118.68 120.47 1wi2 s LEU 21 Ca 0.19 -0.32 0.01 0.00 0.02 0.00 0.00 54.13 54.03 1wi2 s LEU 21 Cb -0.14 -2.13 -0.22 0.00 0.02 0.00 0.00 46.19 43.72 1wi2 s LEU 21 CO 0.09 0.06 0.08 0.29 0.02 0.00 0.00 176.35 176.89 1wi2 n LYS 22 N -0.41 0.70 -2.31 1.70 4.76 -1.26 -3.90 118.16 117.44 1wi2 n LYS 22 Ca -0.09 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1wi2 n LYS 22 Cb 0.56 -1.61 0.00 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 -3.29 -4.62 -1.54 1.97 4.81 -1.26 -4.85 118.16 109.37 1wi2 n LYS 23 Ca -0.38 3.34 -0.29 0.00 -0.87 0.00 0.00 58.31 60.11 1wi2 n LYS 23 Cb 1.03 -4.22 0.13 0.00 0.02 0.00 0.00 35.03 31.99 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 -0.53 1.21 -0.51 1.64 0.04 -1.26 -4.95 135.00 130.63 1wi2 s PRO 24 Ca 0.00 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 1wi2 s PRO 24 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1wi2 s PRO 24 CO 0.00 -2.16 1.47 -1.25 0.04 0.00 0.00 177.00 175.10 1wi2 s PRO 25 N -5.27 3.33 0.00 0.56 0.04 -1.26 -2.66 135.00 129.74 1wi2 s PRO 25 Ca 0.64 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1wi2 s PRO 25 Cb -0.15 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1wi2 s PRO 25 CO 0.53 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.09 1wi2 n GLY 26 N 5.26 2.00 0.73 0.56 0.00 -1.26 -5.11 105.19 107.36 1wi2 n GLY 26 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 0.17 -2.86 4.61 0.00 -1.09 -5.09 120.51 115.26 1wi2 n ALA 27 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 1wi2 n ALA 27 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.27 0.78 0.00 0.00 6.02 -1.26 -5.03 117.38 116.61 1wi2 n GLN 28 Ca 0.03 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1wi2 n GLN 28 Cb 0.11 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.51 0.00 0.00 1.08 4.32 -1.26 -4.35 117.00 118.30 1wi2 n LEU 29 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1wi2 n LEU 29 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 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 1.46 3.48 -0.72 0.00 -1.26 -4.57 105.19 103.58 1wi2 n GLY 30 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1wi2 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wi2 s PHE 31 N -2.00 -0.43 0.19 1.61 -0.71 -1.26 0.19 117.98 115.56 1wi2 s PHE 31 Ca 0.00 0.24 0.05 0.00 -1.04 0.00 0.00 56.93 56.18 1wi2 s PHE 31 Cb 0.00 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1wi2 s PHE 31 CO 0.00 -0.74 0.21 -0.80 -1.34 0.00 0.00 175.22 172.54 1wi2 s ASN 32 N -2.66 5.79 -0.07 1.98 0.01 0.14 -4.94 114.94 115.19 1wi2 s ASN 32 Ca 0.03 -0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 1wi2 s ASN 32 Cb -0.01 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1wi2 s ASN 32 CO -0.10 0.02 -0.18 0.27 -1.51 0.00 0.00 177.10 175.59 1wi2 s ILE 33 N -1.88 1.60 0.42 0.60 -5.25 -1.26 -1.70 121.20 113.73 1wi2 s ILE 33 Ca 0.33 -0.77 0.04 0.00 -0.99 0.00 0.00 60.65 59.25 1wi2 s ILE 33 Cb -0.10 -1.40 -0.04 0.00 2.95 0.00 0.00 42.46 43.88 1wi2 s ILE 33 CO 0.25 0.46 0.05 0.00 -1.79 0.00 0.00 174.94 173.91 1wi2 s ARG 34 N 0.34 1.95 0.00 0.37 1.70 -0.82 -4.82 118.95 117.67 1wi2 s ARG 34 Ca -0.13 -2.17 0.00 0.00 -0.47 0.00 0.00 55.73 52.96 1wi2 s ARG 34 Cb -0.15 -1.15 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 1wi2 s ARG 34 CO 0.05 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.39 1wi2 n GLY 35 N -0.98 -1.77 0.00 3.88 0.00 -1.26 -1.73 105.19 103.34 1wi2 n GLY 35 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.51 -0.52 0.71 -0.02 0.00 -1.25 -4.42 105.19 99.19 1wi2 n GLY 36 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1wi2 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wi2 n LYS 37 N 0.42 0.00 0.07 1.61 5.02 -1.26 -4.27 118.16 119.75 1wi2 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wi2 n LYS 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wi2 n ALA 38 N -1.54 3.00 -1.00 7.82 0.00 -1.26 -4.86 120.51 122.67 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 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.46 0.00 0.04 0.00 2.88 -1.26 -4.97 113.62 106.85 1wi2 n SER 39 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wi2 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.43 0.00 0.00 -1.46 10.64 -1.26 -5.08 117.38 119.79 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 -2.78 0.00 -3.98 2.61 0.00 -1.26 -4.23 117.00 107.35 1wi2 n LEU 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.93 1wi2 n LEU 41 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1wi2 n LEU 41 CO 0.00 -0.08 -0.22 -0.83 0.00 0.00 0.00 177.39 176.26 1wi2 s GLY 42 N -0.80 0.32 -0.05 -3.96 0.00 -1.26 -4.38 107.32 97.19 1wi2 s GLY 42 Ca 0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.60 1wi2 s GLY 42 CO 0.00 -1.07 0.50 -0.42 0.00 0.00 0.00 173.10 172.12 1wi2 s ILE 43 N -3.90 5.05 0.07 0.90 -1.09 -1.26 -3.79 121.20 117.18 1wi2 s ILE 43 Ca 0.07 1.03 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 1wi2 s ILE 43 Cb 0.06 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1wi2 s ILE 43 CO -0.10 0.41 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.60 1wi2 s PHE 44 N -0.03 0.73 -0.89 3.97 0.40 -0.70 0.76 117.98 122.22 1wi2 s PHE 44 Ca 0.27 -0.77 -0.25 0.00 -0.60 0.00 0.00 56.93 55.59 1wi2 s PHE 44 Cb -0.17 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.87 1wi2 s PHE 44 CO 0.13 -0.16 1.97 0.42 0.70 0.00 0.00 175.22 178.29 1wi2 s ILE 45 N -2.75 3.42 0.09 0.64 -1.09 -1.04 -1.94 121.20 118.53 1wi2 s ILE 45 Ca 0.02 -0.34 -0.35 0.00 -2.23 0.00 0.00 60.65 57.76 1wi2 s ILE 45 Cb -0.01 -3.95 -0.16 0.00 -1.58 0.00 0.00 42.46 36.76 1wi2 s ILE 45 CO -0.03 -0.90 1.58 0.77 -1.23 0.00 0.00 174.94 175.13 1wi2 h SER 46 N 11.48 -1.25 -5.15 3.58 4.64 -1.65 -3.30 113.55 121.90 1wi2 h SER 46 Ca 0.08 0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1wi2 h SER 46 Cb 1.01 0.41 -0.15 0.00 -0.31 0.00 0.00 62.40 63.36 1wi2 h SER 46 CO 1.20 -0.63 -0.44 -0.75 -0.87 0.00 0.00 176.83 175.34 1wi2 s LYS 47 N -5.92 0.75 -0.04 4.77 2.36 -1.18 -4.88 119.74 115.61 1wi2 s LYS 47 Ca -0.18 -0.93 0.01 0.00 -2.55 0.00 0.00 55.97 52.33 1wi2 s LYS 47 Cb 0.05 0.30 0.02 0.00 -1.05 0.00 0.00 37.83 37.14 1wi2 s LYS 47 CO 0.61 -0.22 -0.06 0.08 1.55 0.00 0.00 175.35 177.32 1wi2 s VAL 48 N -3.52 0.59 0.07 4.02 1.01 -1.26 0.26 120.40 121.56 1wi2 s VAL 48 Ca 0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1wi2 s VAL 48 Cb 0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 1wi2 s VAL 48 CO -0.09 0.22 1.53 -0.63 0.00 0.00 0.00 175.10 176.14 1wi2 s ILE 49 N 0.69 3.22 -0.58 2.22 -1.09 0.49 -4.86 121.20 121.30 1wi2 s ILE 49 Ca -0.10 0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 58.99 1wi2 s ILE 49 Cb -0.13 -3.46 -0.14 0.00 -1.58 0.00 0.00 42.46 37.15 1wi2 s ILE 49 CO 0.01 0.01 2.67 -0.81 -1.23 0.00 0.00 174.94 175.59 1wi2 n PRO 50 N 5.11 2.11 0.00 2.79 -0.04 -1.26 -2.66 135.00 141.04 1wi2 n PRO 50 Ca 0.14 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1wi2 n PRO 50 Cb 0.41 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.25 0.00 -2.09 3.54 9.92 -1.26 -5.13 116.55 124.77 1wi2 n ASP 51 Ca 0.45 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.67 1wi2 n ASP 51 Cb 0.44 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.91 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wi2 n SER 52 N 0.00 1.52 0.07 -2.24 3.41 -1.09 -5.04 113.62 110.25 1wi2 n SER 52 Ca 0.00 -1.34 -0.21 0.00 -0.26 0.00 0.00 58.87 57.06 1wi2 n SER 52 Cb 0.00 0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.23 0.89 -0.60 4.04 3.32 -1.89 -3.15 116.42 119.25 1wi2 h ASP 53 Ca -0.06 -0.77 -0.01 0.00 0.02 0.00 0.00 57.03 56.21 1wi2 h ASP 53 Cb 0.19 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1wi2 h ASP 53 CO 0.09 1.58 0.35 0.00 -1.72 0.00 0.00 179.24 179.53 1wi2 h ALA 54 N 0.35 0.76 -0.66 3.45 0.00 -1.89 1.40 119.26 122.68 1wi2 h ALA 54 Ca -0.16 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1wi2 h ALA 54 Cb 1.82 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1wi2 h ALA 54 CO 0.22 0.26 0.44 1.25 0.00 0.00 0.00 179.25 181.43 1wi2 h HIS 55 N 0.81 0.37 0.06 0.00 6.17 -1.76 0.12 115.15 120.93 1wi2 h HIS 55 Ca 0.21 0.01 -0.32 0.00 0.71 0.00 0.00 60.37 60.98 1wi2 h HIS 55 Cb 0.01 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 1wi2 h HIS 55 CO -0.02 0.15 -1.79 0.00 0.71 0.00 0.00 177.93 176.98 1wi2 h ARG 56 N 0.33 0.14 0.00 5.26 3.08 -1.17 -3.31 114.38 118.70 1wi2 h ARG 56 Ca 0.31 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1wi2 h ARG 56 Cb 0.78 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1wi2 h ARG 56 CO -0.08 0.86 0.16 0.00 -1.07 0.00 0.00 179.97 179.84 1wi2 h ALA 57 N 0.57 1.14 0.00 0.04 0.00 0.33 -3.44 119.26 117.91 1wi2 h ALA 57 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wi2 h ALA 57 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1wi2 h ALA 57 CO 0.09 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1wi2 n GLY 58 N -1.18 1.98 3.79 0.00 0.00 -0.66 -5.02 105.19 104.10 1wi2 n GLY 58 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.08 0.99 1.02 -0.11 -5.04 118.68 119.86 1wi2 s LEU 59 Ca 0.00 1.68 -0.07 0.00 0.02 0.00 0.00 54.13 55.77 1wi2 s LEU 59 Cb 0.00 -3.74 0.03 0.00 0.02 0.00 0.00 46.19 42.50 1wi2 s LEU 59 CO 0.00 0.03 0.21 -1.10 0.02 0.00 0.00 176.35 175.51 1wi2 s GLN 60 N -1.82 0.23 -0.71 1.70 -0.21 -1.26 -4.70 119.66 112.89 1wi2 s GLN 60 Ca 0.45 0.34 -0.29 0.00 0.02 0.00 0.00 55.36 55.88 1wi2 s GLN 60 Cb -0.19 0.05 -0.14 0.00 1.00 0.00 0.00 33.01 33.73 1wi2 s GLN 60 CO 0.24 -0.07 2.53 0.39 -2.12 0.00 0.00 175.29 176.26 1wi2 n GLU 61 N 3.31 0.57 0.00 2.91 1.02 -1.26 -3.03 120.64 124.16 1wi2 n GLU 61 Ca -0.16 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1wi2 n GLU 61 Cb 0.57 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 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 6.28 0.47 2.92 0.62 0.00 -1.24 -5.05 105.19 109.19 1wi2 n GLY 62 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.48 3.95 0.06 1.61 1.11 -1.17 -4.49 116.67 117.27 1wi2 s ASP 63 Ca 0.00 -1.33 -0.31 0.00 0.18 0.00 0.00 52.55 51.09 1wi2 s ASP 63 Cb 0.00 -1.18 -0.07 0.00 1.07 0.00 0.00 42.92 42.73 1wi2 s ASP 63 CO 0.00 -0.27 1.50 -1.58 1.18 0.00 0.00 175.17 176.00 1wi2 s GLN 64 N 1.37 4.25 -0.61 8.23 0.74 -1.26 -2.50 119.66 129.89 1wi2 s GLN 64 Ca -0.02 2.15 -0.21 0.00 0.05 0.00 0.00 55.36 57.33 1wi2 s GLN 64 Cb -0.19 -3.48 0.08 0.00 1.10 0.00 0.00 33.01 30.53 1wi2 s GLN 64 CO -0.08 -0.61 0.82 0.08 -0.55 0.00 0.00 175.29 174.95 1wi2 s VAL 65 N 2.11 4.59 0.02 1.34 1.01 0.23 -3.27 120.40 126.43 1wi2 s VAL 65 Ca 0.68 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1wi2 s VAL 65 Cb -0.37 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 31.36 1wi2 s VAL 65 CO 0.30 -1.24 1.11 -0.07 0.00 0.00 0.00 175.10 175.20 1wi2 h LEU 66 N 10.60 -0.52 -8.89 3.92 3.38 -1.10 -3.39 115.31 119.31 1wi2 h LEU 66 Ca -0.29 0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.34 1wi2 h LEU 66 Cb 1.08 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1wi2 h LEU 66 CO 1.12 -0.33 -0.63 0.00 0.09 0.00 0.00 178.44 178.69 1wi2 s ALA 67 N -4.30 1.75 -0.04 1.53 0.00 -1.25 -1.45 121.76 118.00 1wi2 s ALA 67 Ca -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.04 1wi2 s ALA 67 Cb 0.01 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1wi2 s ALA 67 CO 0.27 -0.37 0.08 0.08 0.00 0.00 0.00 175.76 175.82 1wi2 s VAL 68 N -3.61 -0.10 -1.53 0.00 1.01 0.55 -1.16 120.40 115.58 1wi2 s VAL 68 Ca 0.33 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1wi2 s VAL 68 Cb 0.07 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.32 1wi2 s VAL 68 CO 0.11 0.12 0.32 0.59 0.00 0.00 0.00 175.10 176.24 1wi2 n ASN 69 N 4.61 -0.33 0.00 3.32 3.02 0.55 0.11 115.26 126.55 1wi2 n ASN 69 Ca -0.19 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1wi2 n ASN 69 Cb 0.50 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -2.88 0.00 -4.65 6.41 -0.08 -1.25 -4.94 116.55 109.16 1wi2 n ASP 70 Ca -0.24 0.00 -0.46 0.00 -1.51 0.00 0.00 54.79 52.58 1wi2 n ASP 70 Cb 0.65 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.08 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 0.93 -2.58 5.18 0.31 0.12 -4.92 118.33 117.37 1wi2 n VAL 71 Ca 0.00 -0.23 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 1wi2 n VAL 71 Cb 0.00 -1.33 -0.05 0.00 -0.91 0.00 0.00 33.84 31.56 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 0.22 6.91 0.00 4.52 -1.08 -1.26 0.21 116.67 126.19 1wi2 s ASP 72 Ca 0.69 2.02 0.03 0.00 -0.52 0.00 0.00 52.55 54.77 1wi2 s ASP 72 Cb -0.70 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.15 1wi2 s ASP 72 CO 0.50 -0.38 0.18 0.49 0.52 0.00 0.00 175.17 176.48 1wi2 n PHE 73 N 0.14 0.00 0.11 -5.34 3.01 -0.52 -4.61 117.46 110.25 1wi2 n PHE 73 Ca 0.04 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.69 1wi2 n PHE 73 Cb 0.49 0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.61 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 0.08 0.00 -1.04 -1.08 4.20 -1.63 -2.69 115.11 112.96 1wi2 h GLN 74 Ca 0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1wi2 h GLN 74 Cb 0.08 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 27.59 1wi2 h GLN 74 CO 0.00 0.00 -0.81 -3.47 -0.67 0.00 0.00 178.83 173.88 1wi2 n ASP 75 N -3.34 -1.22 -4.28 1.46 -0.08 -1.26 -4.36 116.55 103.47 1wi2 n ASP 75 Ca 0.08 -3.04 -0.18 0.00 -1.51 0.00 0.00 54.79 50.13 1wi2 n ASP 75 Cb 0.77 0.57 -0.11 0.00 2.34 0.00 0.00 41.12 44.69 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1wi2 s ILE 76 N -0.40 1.50 0.32 5.18 2.07 -1.01 -5.08 121.20 123.78 1wi2 s ILE 76 Ca 0.33 -1.90 -0.26 0.00 -1.41 0.00 0.00 60.65 57.41 1wi2 s ILE 76 Cb 0.22 -1.74 -0.10 0.00 0.13 0.00 0.00 42.46 40.97 1wi2 s ILE 76 CO -0.16 -0.47 0.98 -1.61 -1.91 0.00 0.00 174.94 171.77 1wi2 s GLU 77 N -3.03 4.54 0.12 3.50 8.01 -1.26 -4.57 118.70 126.01 1wi2 s GLU 77 Ca 0.14 1.42 -0.30 0.00 0.01 0.00 0.00 54.97 56.24 1wi2 s GLU 77 Cb -0.03 -2.84 -0.09 0.00 -4.31 0.00 0.00 34.13 26.87 1wi2 s GLU 77 CO 0.04 0.22 1.59 1.25 0.01 0.00 0.00 175.26 178.37 1wi2 h HIS 78 N 3.21 -1.18 -0.94 1.61 -0.00 -1.77 0.61 115.15 116.68 1wi2 h HIS 78 Ca -0.47 0.04 0.10 0.00 -0.00 0.00 0.00 60.37 60.04 1wi2 h HIS 78 Cb 1.20 0.52 -0.08 0.00 -0.00 0.00 0.00 27.41 29.05 1wi2 h HIS 78 CO 0.60 -0.50 0.58 1.03 -0.00 0.00 0.00 177.93 179.64 1wi2 h SER 79 N -0.59 0.86 -0.58 3.26 0.87 -1.93 0.24 113.55 115.68 1wi2 h SER 79 Ca 0.04 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1wi2 h SER 79 Cb 0.66 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1wi2 h SER 79 CO -0.30 0.48 0.34 0.50 -0.53 0.00 0.00 176.83 177.33 1wi2 h LYS 80 N 0.95 0.79 -0.55 2.24 3.64 -1.52 0.43 116.57 122.56 1wi2 h LYS 80 Ca 0.45 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1wi2 h LYS 80 Cb 0.39 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1wi2 h LYS 80 CO -0.24 0.58 0.09 0.00 -2.27 0.00 0.00 179.45 177.60 1wi2 h ALA 81 N 1.17 1.12 -0.26 5.00 0.00 0.20 0.25 119.26 126.74 1wi2 h ALA 81 Ca 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1wi2 h ALA 81 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1wi2 h ALA 81 CO -0.04 0.58 -0.03 0.28 0.00 0.00 0.00 179.25 180.04 1wi2 h VAL 82 N 0.83 1.27 0.65 0.00 2.07 0.24 -2.10 116.25 119.21 1wi2 h VAL 82 Ca 0.17 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1wi2 h VAL 82 Cb 0.37 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1wi2 h VAL 82 CO 0.01 0.31 -0.31 -0.33 0.02 0.00 0.00 177.57 177.27 1wi2 h GLU 83 N 0.25 -0.84 -0.21 1.57 3.07 0.19 -1.54 114.58 117.06 1wi2 h GLU 83 Ca 0.07 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1wi2 h GLU 83 Cb 0.48 0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.55 1wi2 h GLU 83 CO 0.02 -0.56 -0.14 0.82 -1.40 0.00 0.00 179.01 177.75 1wi2 h ILE 84 N -1.00 0.00 -0.31 3.13 2.04 -0.57 0.72 117.51 121.53 1wi2 h ILE 84 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1wi2 h ILE 84 Cb 0.67 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1wi2 h ILE 84 CO 0.15 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 178.03 1wi2 h LEU 85 N -0.02 -0.72 0.00 1.44 3.38 -1.45 1.31 115.31 119.26 1wi2 h LEU 85 Ca 0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wi2 h LEU 85 Cb 0.10 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wi2 h LEU 85 CO -0.20 -0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.53 1wi2 n LYS 86 N -3.74 0.00 -0.37 1.13 5.02 -0.57 -1.92 118.16 117.71 1wi2 n LYS 86 Ca 0.00 0.64 -0.09 0.00 -2.02 0.00 0.00 58.31 56.85 1wi2 n LYS 86 Cb 0.09 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.83 -0.59 -1.45 -0.18 -2.24 0.24 -4.10 114.28 104.13 1wi2 n THR 87 Ca 0.00 2.16 -0.49 0.00 -2.27 0.00 0.00 64.05 63.45 1wi2 n THR 87 Cb 0.00 -2.69 -0.07 0.00 -2.10 0.00 0.00 70.33 65.47 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 -3.36 0.99 -0.33 6.98 0.00 0.45 -4.77 120.51 120.46 1wi2 n ALA 88 Ca 0.03 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1wi2 n ALA 88 Cb 0.25 -2.58 0.33 0.00 0.00 0.00 0.00 19.45 17.45 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 12.96 0.74 -5.07 0.00 0.11 -1.78 -3.38 114.38 117.95 1wi2 h ARG 89 Ca -0.25 -0.04 -0.65 0.00 0.10 0.00 0.00 59.98 59.14 1wi2 h ARG 89 Cb 1.32 -0.17 -0.34 0.00 1.11 0.00 0.00 29.97 31.89 1wi2 h ARG 89 CO 1.06 0.49 -0.86 -1.83 0.10 0.00 0.00 179.97 178.93 1wi2 s GLU 90 N -5.81 2.76 0.19 0.08 -1.05 -1.26 -4.71 118.70 108.89 1wi2 s GLU 90 Ca -0.11 -0.76 -0.26 0.00 -0.15 0.00 0.00 54.97 53.69 1wi2 s GLU 90 Cb 0.24 -2.23 -0.08 0.00 -0.44 0.00 0.00 34.13 31.61 1wi2 s GLU 90 CO 0.80 0.00 0.80 0.42 0.95 0.00 0.00 175.26 178.23 1wi2 s ILE 91 N 0.79 4.33 -0.45 1.83 1.01 -1.25 -4.89 121.20 122.57 1wi2 s ILE 91 Ca -0.09 1.74 0.06 0.00 0.00 0.00 0.00 60.65 62.36 1wi2 s ILE 91 Cb -0.16 -4.14 0.19 0.00 0.01 0.00 0.00 42.46 38.37 1wi2 s ILE 91 CO -0.00 0.48 0.54 -0.24 0.00 0.00 0.00 174.94 175.72 1wi2 n SER 92 N 1.48 -1.56 -4.69 3.58 2.88 -1.26 -2.32 113.62 111.73 1wi2 n SER 92 Ca -0.05 -2.68 -0.31 0.00 -1.33 0.00 0.00 58.87 54.51 1wi2 n SER 92 Cb 0.49 0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 64.25 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 0.19 2.64 -0.40 -1.46 0.23 -1.24 0.21 119.30 119.48 1wi2 s MET 93 Ca 0.32 -0.76 -0.12 0.00 -1.03 0.00 0.00 55.69 54.11 1wi2 s MET 93 Cb 0.07 -2.59 0.04 0.00 -1.53 0.00 0.00 34.83 30.81 1wi2 s MET 93 CO -0.15 0.57 0.25 0.50 -2.03 0.00 0.00 175.02 174.16 1wi2 s ARG 94 N -2.06 2.83 0.30 3.16 3.52 -0.31 -2.09 118.95 124.29 1wi2 s ARG 94 Ca 0.24 -1.15 0.06 0.00 -0.13 0.00 0.00 55.73 54.75 1wi2 s ARG 94 Cb -0.12 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 1wi2 s ARG 94 CO 0.16 -0.77 0.42 0.14 -0.81 0.00 0.00 175.30 174.44 1wi2 s VAL 95 N 1.57 4.49 -0.25 7.11 -7.23 -1.01 -0.55 120.40 124.52 1wi2 s VAL 95 Ca 0.03 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.98 1wi2 s VAL 95 Cb -0.20 -3.57 0.07 0.00 0.56 0.00 0.00 36.38 33.24 1wi2 s VAL 95 CO 0.07 -0.22 0.66 -0.60 -0.31 0.00 0.00 175.10 174.69 1wi2 s ARG 96 N -4.09 0.74 -0.90 4.82 3.52 -1.20 -2.57 118.95 119.26 1wi2 s ARG 96 Ca 0.41 1.00 -0.21 0.00 -0.13 0.00 0.00 55.73 56.80 1wi2 s ARG 96 Cb -0.09 0.29 -0.23 0.00 -1.56 0.00 0.00 34.95 33.36 1wi2 s ARG 96 CO 0.30 -0.11 2.41 1.19 -0.81 0.00 0.00 175.30 178.28 1wi2 n PHE 97 N 3.24 0.56 -1.78 5.12 3.72 -1.26 -4.10 117.46 122.96 1wi2 n PHE 97 Ca -0.16 0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 1wi2 n PHE 97 Cb 0.56 -1.74 -0.01 0.00 -0.94 0.00 0.00 39.48 37.35 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wi2 n PHE 98 N 10.69 2.60 -3.16 1.38 7.35 -1.26 -4.70 117.46 130.36 1wi2 n PHE 98 Ca 0.60 -2.92 0.05 0.00 -0.76 0.00 0.00 57.45 54.42 1wi2 n PHE 98 Cb 0.21 -2.09 -0.02 0.00 0.35 0.00 0.00 39.48 37.93 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 1.11 -0.42 0.00 -2.13 0.15 -1.26 -4.98 113.70 106.17 1wi2 s SER 99 Ca 0.58 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wi2 s SER 99 Cb 0.17 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1wi2 s SER 99 CO -0.08 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wi2 n GLY 100 N 5.45 -1.13 3.57 9.45 0.00 -1.26 -4.78 105.19 116.48 1wi2 n GLY 100 Ca -0.07 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1wi2 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi2 s PRO 101 N 0.00 3.12 -0.02 1.61 0.04 -1.26 -4.40 135.00 134.09 1wi2 s PRO 101 Ca 0.00 -0.95 -0.02 0.00 0.04 0.00 0.00 61.00 60.08 1wi2 s PRO 101 Cb 0.00 -5.26 0.01 0.00 0.04 0.00 0.00 34.50 29.28 1wi2 s PRO 101 CO 0.00 -2.88 0.03 0.45 0.04 0.00 0.00 177.00 174.64 1wi2 n SER 102 N 11.40 -2.76 -4.57 6.66 2.88 -1.26 -4.86 113.62 121.11 1wi2 n SER 102 Ca 0.39 0.42 -0.40 0.00 -1.33 0.00 0.00 58.87 57.95 1wi2 n SER 102 Cb 0.48 -2.11 -0.03 0.00 -0.75 0.00 0.00 64.21 61.80 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 -0.17 5.72 0.00 -3.46 0.15 -1.26 -5.14 113.70 109.54 1wi2 s SER 103 Ca -0.04 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1wi2 s SER 103 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wi2 s SER 103 CO 0.10 -2.00 0.00 0.61 1.20 0.00 0.00 173.24 173.15