#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 n SER 2 N 0.00 -5.72 -4.89 1.61 7.64 -1.26 -4.89 113.62 106.12 1wi2 n SER 2 Ca 0.00 0.67 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 1wi2 n SER 2 Cb 0.00 -3.08 -0.04 0.00 -1.01 0.00 0.00 64.21 60.09 1wi2 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi2 s SER 3 N -6.45 6.52 0.00 6.43 0.15 -1.26 -5.09 113.70 114.00 1wi2 s SER 3 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1wi2 s SER 3 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wi2 s SER 3 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wi2 n GLY 4 N -0.89 2.96 3.85 9.45 0.00 -1.26 -5.14 105.19 114.16 1wi2 n GLY 4 Ca 0.00 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.28 5.21 -0.04 1.61 0.01 -1.26 -5.14 113.70 113.81 1wi2 s SER 5 Ca 0.00 -0.55 -0.31 0.00 1.31 0.00 0.00 55.95 56.40 1wi2 s SER 5 Cb 0.00 -0.89 0.07 0.00 0.21 0.00 0.00 66.02 65.41 1wi2 s SER 5 CO 0.00 -0.40 0.67 -0.55 0.41 0.00 0.00 173.24 173.37 1wi2 s SER 6 N -4.01 -0.65 0.00 2.44 0.15 -1.26 -5.18 113.70 105.19 1wi2 s SER 6 Ca 0.42 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wi2 s SER 6 Cb -0.05 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wi2 s SER 6 CO 0.27 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wi2 n GLY 7 N 0.89 1.90 3.29 9.45 0.00 -1.26 -5.18 105.19 114.28 1wi2 n GLY 7 Ca -0.19 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1wi2 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wi2 s ASN 8 N -0.48 -0.30 0.39 1.61 0.01 -1.26 -5.05 114.94 109.86 1wi2 s ASN 8 Ca 0.00 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 1wi2 s ASN 8 Cb 0.00 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.09 1wi2 s ASN 8 CO 0.00 -0.43 0.00 0.59 -1.51 0.00 0.00 177.10 175.75 1wi2 n ASN 9 N 1.45 -3.16 -3.20 -1.22 3.02 -1.26 -5.10 115.26 105.80 1wi2 n ASN 9 Ca -0.20 0.74 -0.25 0.00 -0.03 0.00 0.00 54.58 54.84 1wi2 n ASN 9 Cb 0.56 3.01 0.03 0.00 -0.61 0.00 0.00 39.78 42.77 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 -3.33 -2.15 -3.02 3.52 4.71 -1.26 -4.92 120.64 114.19 1wi2 n GLU 10 Ca 0.00 1.76 -0.30 0.00 -0.01 0.00 0.00 57.16 58.61 1wi2 n GLU 10 Cb 0.00 -3.75 -0.04 0.00 -1.01 0.00 0.00 31.44 26.64 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 -0.24 4.83 -4.46 -4.62 -0.00 -1.26 -5.03 117.00 106.22 1wi2 n LEU 11 Ca 0.01 -5.56 -0.22 0.00 -0.00 0.00 0.00 56.01 50.23 1wi2 n LEU 11 Cb 0.58 -0.71 -0.10 0.00 -0.00 0.00 0.00 43.42 43.19 1wi2 n LEU 11 CO 0.52 2.21 -0.25 0.42 -0.00 0.00 0.00 177.39 180.28 1wi2 s THR 12 N -3.88 1.02 0.00 1.47 -4.23 -1.26 -5.04 115.64 103.72 1wi2 s THR 12 Ca 0.44 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1wi2 s THR 12 Cb 0.22 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1wi2 s THR 12 CO -0.09 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.66 1wi2 n GLN 13 N -0.73 0.00 -2.30 3.99 -0.06 -1.26 -4.97 117.38 112.05 1wi2 n GLN 13 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1wi2 n GLN 13 Cb 0.66 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.89 1wi2 n GLN 13 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1wi2 n PHE 14 N -1.88 0.15 -2.28 3.69 3.01 -1.26 -5.12 117.46 113.77 1wi2 n PHE 14 Ca 0.00 -1.50 -0.32 0.00 1.01 0.00 0.00 57.45 56.64 1wi2 n PHE 14 Cb 0.00 0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wi2 s LEU 15 N -2.58 3.59 0.78 4.37 1.43 -1.26 -5.04 118.68 119.97 1wi2 s LEU 15 Ca 0.22 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1wi2 s LEU 15 Cb 0.33 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 42.09 1wi2 s LEU 15 CO -0.08 -0.79 1.09 -2.16 0.23 0.00 0.00 176.35 174.63 1wi2 s PRO 16 N -4.05 2.24 0.19 1.29 0.04 -1.26 -4.98 135.00 128.46 1wi2 s PRO 16 Ca 0.61 0.70 0.08 0.00 0.04 0.00 0.00 61.00 62.43 1wi2 s PRO 16 Cb -0.12 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wi2 s PRO 16 CO 0.33 -1.53 -0.01 -0.98 0.04 0.00 0.00 177.00 174.85 1wi2 s ARG 17 N -5.13 2.36 -0.14 4.56 3.03 -0.21 -5.00 118.95 118.42 1wi2 s ARG 17 Ca 0.60 -1.16 -0.06 0.00 2.03 0.00 0.00 55.73 57.14 1wi2 s ARG 17 Cb -0.14 -2.32 -0.04 0.00 -1.03 0.00 0.00 34.95 31.42 1wi2 s ARG 17 CO 0.54 0.44 0.10 0.42 -1.13 0.00 0.00 175.30 175.67 1wi2 s ILE 18 N -1.80 5.11 -0.41 4.99 -1.09 -1.26 -1.93 121.20 124.81 1wi2 s ILE 18 Ca 0.28 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 1wi2 s ILE 18 Cb -0.09 -3.24 0.11 0.00 -1.58 0.00 0.00 42.46 37.66 1wi2 s ILE 18 CO 0.18 0.56 0.14 -0.69 -1.23 0.00 0.00 174.94 173.90 1wi2 s VAL 19 N -0.53 2.32 -0.20 2.92 1.01 -1.05 -4.98 120.40 119.89 1wi2 s VAL 19 Ca 0.11 -2.71 -0.09 0.00 0.00 0.00 0.00 61.98 59.30 1wi2 s VAL 19 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1wi2 s VAL 19 CO 0.02 -0.69 0.10 -0.89 0.00 0.00 0.00 175.10 173.64 1wi2 s THR 20 N 0.44 5.03 0.49 3.92 2.01 -1.26 -3.22 115.64 123.05 1wi2 s THR 20 Ca 0.14 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.26 1wi2 s THR 20 Cb -0.22 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1wi2 s THR 20 CO -0.05 0.43 0.38 -0.76 -0.69 0.00 0.00 174.62 173.93 1wi2 s LEU 21 N 0.57 2.97 -0.11 4.42 1.02 -0.26 -4.88 118.68 122.42 1wi2 s LEU 21 Ca 0.05 -1.07 -0.06 0.00 0.02 0.00 0.00 54.13 53.08 1wi2 s LEU 21 Cb -0.12 -1.49 -0.05 0.00 0.02 0.00 0.00 46.19 44.55 1wi2 s LEU 21 CO 0.01 -0.91 -0.14 0.29 0.02 0.00 0.00 176.35 175.61 1wi2 n LYS 22 N -1.66 0.23 -2.19 1.70 4.76 -1.26 -4.18 118.16 115.57 1wi2 n LYS 22 Ca 0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1wi2 n LYS 22 Cb 0.63 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 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 -3.51 -5.60 -1.57 1.97 4.81 -1.26 -4.84 118.16 108.16 1wi2 n LYS 23 Ca -0.21 3.97 -0.31 0.00 -0.87 0.00 0.00 58.31 60.89 1wi2 n LYS 23 Cb 0.64 -4.47 0.05 0.00 0.02 0.00 0.00 35.03 31.27 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 -0.55 2.85 -1.15 1.64 0.04 -1.26 -4.90 135.00 131.67 1wi2 s PRO 24 Ca 0.00 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 61.82 1wi2 s PRO 24 Cb 0.00 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1wi2 s PRO 24 CO 0.00 -1.15 2.25 -0.35 0.04 0.00 0.00 177.00 177.79 1wi2 n PRO 25 N -3.16 2.41 0.00 0.56 -0.04 -1.26 -2.90 135.00 130.61 1wi2 n PRO 25 Ca 0.07 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1wi2 n PRO 25 Cb 0.54 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.04 0.00 3.68 0.55 0.00 -1.26 -5.18 105.19 107.03 1wi2 n GLY 26 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 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 3.65 -0.36 4.61 0.00 -1.14 -5.09 121.76 123.44 1wi2 s ALA 27 Ca 0.00 -1.08 0.14 0.00 0.00 0.00 0.00 51.96 51.02 1wi2 s ALA 27 Cb 0.00 0.17 0.40 0.00 0.00 0.00 0.00 23.12 23.68 1wi2 s ALA 27 CO 0.00 -0.09 0.84 1.04 0.00 0.00 0.00 175.76 177.55 1wi2 n GLN 28 N -1.12 1.17 -2.10 0.00 6.02 -1.26 -5.02 117.38 115.07 1wi2 n GLN 28 Ca -0.13 -3.40 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 1wi2 n GLN 28 Cb 0.67 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 0.10 -6.35 -0.80 1.08 4.32 -1.26 -4.73 117.00 109.37 1wi2 n LEU 29 Ca 0.19 3.43 0.03 0.00 -0.02 0.00 0.00 56.01 59.63 1wi2 n LEU 29 Cb 0.72 -3.27 0.12 0.00 -1.62 0.00 0.00 43.42 39.37 1wi2 n LEU 29 CO 0.24 -1.58 0.50 0.61 -1.22 0.00 0.00 177.39 175.94 1wi2 n GLY 30 N 1.69 1.41 3.24 -0.72 0.00 -1.26 -4.84 105.19 104.70 1wi2 n GLY 30 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.61 0.19 -0.17 1.61 -0.71 -1.26 0.19 117.98 116.22 1wi2 s PHE 31 Ca 0.17 -0.60 -0.04 0.00 -1.04 0.00 0.00 56.93 55.43 1wi2 s PHE 31 Cb 0.12 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 1wi2 s PHE 31 CO 0.07 -0.59 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.53 1wi2 s ASN 32 N -2.88 4.80 -0.13 1.98 0.01 0.37 -4.93 114.94 114.15 1wi2 s ASN 32 Ca 0.07 -0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.00 1wi2 s ASN 32 Cb 0.04 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.87 1wi2 s ASN 32 CO -0.09 0.14 0.13 0.27 -1.51 0.00 0.00 177.10 176.05 1wi2 s ILE 33 N 0.51 5.44 0.30 0.60 -5.25 -1.26 0.12 121.20 121.66 1wi2 s ILE 33 Ca -0.03 0.19 0.04 0.00 -0.99 0.00 0.00 60.65 59.85 1wi2 s ILE 33 Cb -0.14 -3.39 -0.04 0.00 2.95 0.00 0.00 42.46 41.85 1wi2 s ILE 33 CO 0.03 0.59 0.18 0.00 -1.79 0.00 0.00 174.94 173.95 1wi2 s ARG 34 N -0.77 1.59 0.00 0.37 1.70 -0.96 -4.80 118.95 116.09 1wi2 s ARG 34 Ca 0.14 -1.91 0.00 0.00 -0.47 0.00 0.00 55.73 53.49 1wi2 s ARG 34 Cb -0.12 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1wi2 s ARG 34 CO 0.03 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1wi2 n GLY 35 N -0.56 -0.52 0.00 3.88 0.00 -1.26 -2.09 105.19 104.64 1wi2 n GLY 35 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 1.47 -0.33 2.79 -0.02 0.00 -1.21 -4.32 105.19 103.56 1wi2 n GLY 36 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.49 -0.18 1.61 4.81 -1.26 -4.06 118.16 117.59 1wi2 n LYS 37 Ca 0.00 0.98 -0.05 0.00 -0.87 0.00 0.00 58.31 58.37 1wi2 n LYS 37 Cb 0.00 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.19 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wi2 n ALA 38 N -1.36 -0.27 -1.66 3.14 0.00 -1.26 -4.30 120.51 114.80 1wi2 n ALA 38 Ca 0.01 0.36 -0.56 0.00 0.00 0.00 0.00 53.44 53.25 1wi2 n ALA 38 Cb 0.34 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1wi2 n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wi2 n SER 39 N -3.95 2.02 -0.32 0.00 3.41 -1.26 -4.80 113.62 108.73 1wi2 n SER 39 Ca 0.01 1.10 -0.05 0.00 -0.26 0.00 0.00 58.87 59.66 1wi2 n SER 39 Cb 0.11 -1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 62.88 1wi2 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wi2 n GLN 40 N 4.20 -0.28 0.00 4.33 6.02 -1.26 -4.60 117.38 125.80 1wi2 n GLN 40 Ca 0.24 1.21 0.00 0.00 -0.01 0.00 0.00 57.00 58.43 1wi2 n GLN 40 Cb 0.14 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.62 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wi2 n LEU 41 N -5.07 0.00 0.00 1.08 0.00 -1.26 -4.65 117.00 107.11 1wi2 n LEU 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1wi2 n LEU 41 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1wi2 n LEU 41 CO -0.12 -0.10 0.00 0.61 0.00 0.00 0.00 177.39 177.78 1wi2 n GLY 42 N 0.00 4.49 3.24 -3.96 0.00 -1.26 -4.34 105.19 103.37 1wi2 n GLY 42 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.54 1.76 -0.04 -0.61 -1.09 -1.25 -3.35 121.20 116.09 1wi2 s ILE 43 Ca 0.00 -0.95 -0.09 0.00 -2.23 0.00 0.00 60.65 57.38 1wi2 s ILE 43 Cb 0.00 -1.47 0.01 0.00 -1.58 0.00 0.00 42.46 39.42 1wi2 s ILE 43 CO 0.00 0.50 0.21 -0.36 -1.23 0.00 0.00 174.94 174.06 1wi2 s PHE 44 N -0.45 -0.13 -0.94 3.97 0.40 -0.89 -1.12 117.98 118.83 1wi2 s PHE 44 Ca 0.06 0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 56.40 1wi2 s PHE 44 Cb -0.09 0.04 -0.17 0.00 0.51 0.00 0.00 43.02 43.31 1wi2 s PHE 44 CO -0.00 -0.24 2.24 0.42 0.70 0.00 0.00 175.22 178.34 1wi2 s ILE 45 N -0.75 3.07 0.11 0.64 -1.09 -1.04 -2.25 121.20 119.88 1wi2 s ILE 45 Ca -0.08 -0.08 -0.31 0.00 -2.23 0.00 0.00 60.65 57.94 1wi2 s ILE 45 Cb -0.05 -3.55 -0.12 0.00 -1.58 0.00 0.00 42.46 37.16 1wi2 s ILE 45 CO 0.02 -0.13 1.50 0.77 -1.23 0.00 0.00 174.94 175.86 1wi2 h SER 46 N 12.03 -1.56 -5.27 3.58 4.64 0.68 -3.09 113.55 124.56 1wi2 h SER 46 Ca 0.02 0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.41 1wi2 h SER 46 Cb 1.00 0.61 -0.13 0.00 -0.31 0.00 0.00 62.40 63.56 1wi2 h SER 46 CO 1.03 -0.44 -0.38 -0.75 -0.87 0.00 0.00 176.83 175.42 1wi2 s LYS 47 N -5.45 1.06 -0.04 4.77 2.36 -0.68 -4.75 119.74 117.01 1wi2 s LYS 47 Ca -0.14 -1.17 0.03 0.00 -2.55 0.00 0.00 55.97 52.13 1wi2 s LYS 47 Cb 0.06 0.35 0.01 0.00 -1.05 0.00 0.00 37.83 37.20 1wi2 s LYS 47 CO 0.55 -0.37 -0.10 0.08 1.55 0.00 0.00 175.35 177.06 1wi2 s VAL 48 N -3.96 0.90 0.03 4.02 1.01 -1.26 0.14 120.40 121.28 1wi2 s VAL 48 Ca 0.16 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1wi2 s VAL 48 Cb 0.04 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1wi2 s VAL 48 CO -0.02 0.28 1.62 -0.63 0.00 0.00 0.00 175.10 176.36 1wi2 s ILE 49 N 0.34 3.28 -0.62 2.22 -1.09 0.51 -4.85 121.20 120.99 1wi2 s ILE 49 Ca -0.06 0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1wi2 s ILE 49 Cb -0.11 -3.40 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 1wi2 s ILE 49 CO 0.01 -0.02 2.67 -0.81 -1.23 0.00 0.00 174.94 175.57 1wi2 n PRO 50 N 6.02 2.17 0.00 2.79 -0.04 -1.26 -2.73 135.00 141.94 1wi2 n PRO 50 Ca 0.16 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1wi2 n PRO 50 Cb 0.42 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.28 0.00 -1.32 3.54 5.75 -1.26 -5.14 116.55 121.40 1wi2 n ASP 51 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 1wi2 n ASP 51 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1wi2 n SER 52 N 0.00 0.95 0.06 -1.12 3.41 -1.11 -5.05 113.62 110.76 1wi2 n SER 52 Ca 0.00 -0.90 -0.03 0.00 -0.26 0.00 0.00 58.87 57.68 1wi2 n SER 52 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.00 0.00 -0.13 4.04 5.19 -1.89 -3.33 116.42 120.30 1wi2 h ASP 53 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1wi2 h ASP 53 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1wi2 h ASP 53 CO 0.00 0.77 0.04 0.00 -3.12 0.00 0.00 179.24 176.93 1wi2 h ALA 54 N 1.23 0.17 -0.89 3.45 0.00 -1.90 1.49 119.26 122.82 1wi2 h ALA 54 Ca -0.10 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 54.90 1wi2 h ALA 54 Cb 1.67 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1wi2 h ALA 54 CO 0.08 -0.21 0.37 1.25 0.00 0.00 0.00 179.25 180.74 1wi2 h HIS 55 N 0.02 0.61 0.22 0.00 6.17 -1.76 0.08 115.15 120.48 1wi2 h HIS 55 Ca 0.04 0.04 -0.33 0.00 0.71 0.00 0.00 60.37 60.83 1wi2 h HIS 55 Cb 0.22 -0.13 0.03 0.00 2.52 0.00 0.00 27.41 30.05 1wi2 h HIS 55 CO -0.00 -0.06 -1.53 0.00 0.71 0.00 0.00 177.93 177.05 1wi2 h ARG 56 N 0.38 0.46 -1.22 5.26 -0.00 -1.58 -3.30 114.38 114.38 1wi2 h ARG 56 Ca 0.55 -0.79 0.44 0.00 -0.50 0.00 0.00 59.98 59.68 1wi2 h ARG 56 Cb 1.05 0.29 -0.15 0.00 0.00 0.00 0.00 29.97 31.16 1wi2 h ARG 56 CO -0.54 1.38 0.74 0.00 0.00 0.00 0.00 179.97 181.55 1wi2 h ALA 57 N 0.12 2.53 0.00 0.04 0.00 0.40 -3.43 119.26 118.93 1wi2 h ALA 57 Ca -0.28 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wi2 h ALA 57 Cb 2.09 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.15 1wi2 h ALA 57 CO 0.22 -1.25 0.00 0.41 0.00 0.00 0.00 179.25 178.64 1wi2 n GLY 58 N -1.41 1.95 3.85 0.00 0.00 -0.72 -4.82 105.19 104.02 1wi2 n GLY 58 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 3.95 -0.04 0.99 1.43 -1.02 -5.08 118.68 118.90 1wi2 s LEU 59 Ca 0.00 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.44 1wi2 s LEU 59 Cb 0.00 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1wi2 s LEU 59 CO 0.00 -0.31 0.11 0.00 0.23 0.00 0.00 176.35 176.37 1wi2 s GLN 60 N -3.30 0.11 -0.48 1.70 -2.07 -1.26 -4.80 119.66 109.55 1wi2 s GLN 60 Ca 0.56 0.18 -0.28 0.00 -1.82 0.00 0.00 55.36 54.00 1wi2 s GLN 60 Cb -0.10 0.01 -0.09 0.00 -1.09 0.00 0.00 33.01 31.74 1wi2 s GLN 60 CO 0.20 -0.05 2.39 0.39 -1.32 0.00 0.00 175.29 176.91 1wi2 n GLU 61 N 3.27 1.10 0.00 9.60 1.02 -1.26 -2.23 120.64 132.13 1wi2 n GLU 61 Ca -0.15 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1wi2 n GLU 61 Cb 0.58 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.92 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 6.09 1.09 3.28 0.62 0.00 -1.17 -5.04 105.19 110.06 1wi2 n GLY 62 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1wi2 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi2 s ASP 63 N -2.00 5.09 0.16 1.61 1.01 -0.95 -4.40 116.67 117.19 1wi2 s ASP 63 Ca 0.00 -0.96 -0.31 0.00 0.71 0.00 0.00 52.55 51.99 1wi2 s ASP 63 Cb 0.00 -1.83 -0.09 0.00 1.01 0.00 0.00 42.92 42.00 1wi2 s ASP 63 CO 0.00 -0.25 1.51 -1.58 0.21 0.00 0.00 175.17 175.06 1wi2 s GLN 64 N 1.42 4.25 -0.81 8.23 0.74 -1.26 -2.49 119.66 129.74 1wi2 s GLN 64 Ca -0.00 2.28 -0.16 0.00 0.05 0.00 0.00 55.36 57.52 1wi2 s GLN 64 Cb -0.18 -3.18 0.18 0.00 1.10 0.00 0.00 33.01 30.93 1wi2 s GLN 64 CO 0.01 -0.54 0.84 0.08 -0.55 0.00 0.00 175.29 175.13 1wi2 s VAL 65 N 1.02 5.26 0.02 1.34 1.01 -0.28 -3.34 120.40 125.43 1wi2 s VAL 65 Ca 0.67 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 1wi2 s VAL 65 Cb -0.42 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 1wi2 s VAL 65 CO 0.32 -1.16 1.15 -0.07 0.00 0.00 0.00 175.10 175.34 1wi2 h LEU 66 N 8.82 -0.37 -7.66 3.92 3.38 -0.77 -3.37 115.31 119.26 1wi2 h LEU 66 Ca 0.05 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1wi2 h LEU 66 Cb 1.05 0.12 -0.28 0.00 0.09 0.00 0.00 40.66 41.64 1wi2 h LEU 66 CO 0.91 -0.19 -0.65 0.00 0.09 0.00 0.00 178.44 178.59 1wi2 s ALA 67 N -3.93 -0.14 -0.32 1.53 0.00 -1.21 -0.90 121.76 116.78 1wi2 s ALA 67 Ca -0.05 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1wi2 s ALA 67 Cb 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1wi2 s ALA 67 CO 0.16 -0.03 0.11 0.08 0.00 0.00 0.00 175.76 176.08 1wi2 s VAL 68 N 0.08 4.03 -1.29 0.00 1.01 0.41 0.12 120.40 124.76 1wi2 s VAL 68 Ca -0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1wi2 s VAL 68 Cb -0.01 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1wi2 s VAL 68 CO -0.00 -0.07 1.13 0.59 0.00 0.00 0.00 175.10 176.75 1wi2 n ASN 69 N 4.87 -5.75 0.00 3.32 3.02 0.79 -1.63 115.26 119.89 1wi2 n ASN 69 Ca -0.13 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1wi2 n ASN 69 Cb 0.46 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 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 -2.89 0.00 -4.68 6.41 -0.08 -1.26 -4.97 116.55 109.09 1wi2 n ASP 70 Ca -0.03 0.00 -0.46 0.00 -1.51 0.00 0.00 54.79 52.80 1wi2 n ASP 70 Cb 0.57 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.99 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 0.07 -2.33 5.18 0.31 -0.64 -4.87 118.33 116.04 1wi2 n VAL 71 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 1wi2 n VAL 71 Cb 0.00 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 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 1.29 6.99 0.00 4.52 2.15 -1.26 0.16 116.67 130.52 1wi2 s ASP 72 Ca 0.80 2.15 0.13 0.00 0.43 0.00 0.00 52.55 56.06 1wi2 s ASP 72 Cb -0.66 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.29 1wi2 s ASP 72 CO 0.39 -0.52 0.62 0.49 -0.17 0.00 0.00 175.17 175.98 1wi2 n PHE 73 N 3.73 0.00 -0.39 -5.34 3.01 -0.08 -4.50 117.46 113.89 1wi2 n PHE 73 Ca 0.09 0.00 0.37 0.00 1.01 0.00 0.00 57.45 58.92 1wi2 n PHE 73 Cb 0.45 0.00 0.73 0.00 -0.01 0.00 0.00 39.48 40.65 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 0.53 0.05 -1.91 -1.08 4.20 -1.66 -2.88 115.11 112.37 1wi2 h GLN 74 Ca 0.00 -0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.21 1wi2 h GLN 74 Cb 0.36 -0.01 -0.34 0.00 0.30 0.00 0.00 27.48 27.79 1wi2 h GLN 74 CO 0.00 0.03 -0.91 -3.47 -0.67 0.00 0.00 178.83 173.81 1wi2 n ASP 75 N -4.22 -0.90 -4.16 1.46 2.03 -1.26 -4.01 116.55 105.48 1wi2 n ASP 75 Ca 0.29 -2.60 -0.12 0.00 0.52 0.00 0.00 54.79 52.88 1wi2 n ASP 75 Cb 1.34 -0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 41.55 1wi2 n ASP 75 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1wi2 s ILE 76 N -0.11 0.75 0.33 5.18 2.07 -1.09 -5.07 121.20 123.26 1wi2 s ILE 76 Ca 0.33 -1.79 -0.22 0.00 -1.41 0.00 0.00 60.65 57.56 1wi2 s ILE 76 Cb 0.08 -1.51 -0.10 0.00 0.13 0.00 0.00 42.46 41.07 1wi2 s ILE 76 CO -0.16 -0.75 0.88 -1.61 -1.91 0.00 0.00 174.94 171.39 1wi2 s GLU 77 N -3.38 4.37 0.10 3.50 8.01 -1.26 -4.76 118.70 125.27 1wi2 s GLU 77 Ca 0.08 1.11 -0.35 0.00 0.01 0.00 0.00 54.97 55.83 1wi2 s GLU 77 Cb 0.02 -2.63 -0.15 0.00 -4.31 0.00 0.00 34.13 27.06 1wi2 s GLU 77 CO -0.03 0.22 1.56 1.25 0.01 0.00 0.00 175.26 178.27 1wi2 h HIS 78 N 2.82 -1.47 -0.68 1.61 -0.00 -1.95 0.53 115.15 116.02 1wi2 h HIS 78 Ca -0.48 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.05 1wi2 h HIS 78 Cb 1.19 0.61 -0.09 0.00 -0.00 0.00 0.00 27.41 29.12 1wi2 h HIS 78 CO 0.62 -0.62 0.23 1.03 -0.00 0.00 0.00 177.93 179.19 1wi2 h SER 79 N -0.83 0.18 -0.72 3.26 0.87 -1.95 0.18 113.55 114.53 1wi2 h SER 79 Ca -0.02 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1wi2 h SER 79 Cb 0.80 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 1wi2 h SER 79 CO -0.21 0.08 0.44 0.50 -0.53 0.00 0.00 176.83 177.10 1wi2 h LYS 80 N 0.38 0.80 -0.43 2.24 3.64 -1.70 0.52 116.57 122.01 1wi2 h LYS 80 Ca 0.36 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1wi2 h LYS 80 Cb 0.52 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1wi2 h LYS 80 CO -0.38 0.53 0.25 0.00 -2.27 0.00 0.00 179.45 177.57 1wi2 h ALA 81 N 1.34 0.54 -0.13 5.00 0.00 0.27 0.40 119.26 126.68 1wi2 h ALA 81 Ca 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wi2 h ALA 81 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wi2 h ALA 81 CO -0.15 0.05 0.07 0.28 0.00 0.00 0.00 179.25 179.50 1wi2 h VAL 82 N 0.56 1.11 0.77 0.00 2.07 0.25 -1.79 116.25 119.22 1wi2 h VAL 82 Ca 0.15 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1wi2 h VAL 82 Cb 0.02 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1wi2 h VAL 82 CO -0.03 0.10 -0.48 -0.33 0.02 0.00 0.00 177.57 176.85 1wi2 h GLU 83 N 0.10 -1.13 -0.16 1.57 5.08 0.34 -0.66 114.58 119.72 1wi2 h GLU 83 Ca 0.05 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1wi2 h GLU 83 Cb 0.10 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wi2 h GLU 83 CO -0.01 -0.76 -0.12 0.82 -1.00 0.00 0.00 179.01 177.95 1wi2 h ILE 84 N -1.18 0.00 -0.93 3.13 2.04 -0.18 0.93 117.51 121.32 1wi2 h ILE 84 Ca -0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1wi2 h ILE 84 Cb 0.95 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.89 1wi2 h ILE 84 CO 0.10 0.00 -0.47 -0.07 0.00 0.00 0.00 178.15 177.71 1wi2 h LEU 85 N -0.03 -1.72 0.00 1.44 3.38 -1.30 0.88 115.31 117.96 1wi2 h LEU 85 Ca 0.03 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1wi2 h LEU 85 Cb 0.09 0.82 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wi2 h LEU 85 CO -0.17 -0.28 0.00 0.29 0.09 0.00 0.00 178.44 178.38 1wi2 n LYS 86 N -5.38 0.00 -0.55 1.13 5.02 0.09 -1.48 118.16 117.00 1wi2 n LYS 86 Ca 0.06 0.36 0.43 0.00 -2.02 0.00 0.00 58.31 57.14 1wi2 n LYS 86 Cb 0.34 -1.20 0.67 0.00 -0.02 0.00 0.00 35.03 34.83 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 -1.32 -0.09 -2.69 -0.18 -2.24 0.30 -3.89 114.28 104.17 1wi2 n THR 87 Ca 0.00 1.41 -0.43 0.00 -2.27 0.00 0.00 64.05 62.77 1wi2 n THR 87 Cb 0.00 -2.34 -0.02 0.00 -2.10 0.00 0.00 70.33 65.87 1wi2 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wi2 s ALA 88 N -4.78 3.62 0.10 6.98 0.00 0.30 -4.93 121.76 123.05 1wi2 s ALA 88 Ca -0.05 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 1wi2 s ALA 88 Cb 0.25 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1wi2 s ALA 88 CO 0.76 -1.19 1.74 0.07 0.00 0.00 0.00 175.76 177.14 1wi2 h ARG 89 N 7.71 0.14 -5.17 0.00 0.11 -1.77 -3.41 114.38 112.00 1wi2 h ARG 89 Ca -0.20 -0.01 -0.65 0.00 0.10 0.00 0.00 59.98 59.22 1wi2 h ARG 89 Cb 1.06 -0.03 -0.25 0.00 1.11 0.00 0.00 29.97 31.86 1wi2 h ARG 89 CO 0.98 0.12 -0.71 -1.83 0.10 0.00 0.00 179.97 178.63 1wi2 s GLU 90 N -6.09 3.48 -0.20 0.08 -1.05 -1.26 -4.83 118.70 108.82 1wi2 s GLU 90 Ca -0.13 -0.60 -0.18 0.00 -0.15 0.00 0.00 54.97 53.91 1wi2 s GLU 90 Cb 0.07 -2.89 -0.03 0.00 -0.44 0.00 0.00 34.13 30.83 1wi2 s GLU 90 CO 0.68 0.05 0.49 0.42 0.95 0.00 0.00 175.26 177.85 1wi2 s ILE 91 N 0.84 5.12 -0.39 1.83 1.01 -1.26 -4.95 121.20 123.41 1wi2 s ILE 91 Ca -0.02 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.57 1wi2 s ILE 91 Cb -0.15 -3.82 0.16 0.00 0.01 0.00 0.00 42.46 38.67 1wi2 s ILE 91 CO 0.01 0.18 0.43 -0.55 0.00 0.00 0.00 174.94 175.01 1wi2 s SER 92 N 1.17 0.71 0.47 3.58 0.15 -1.26 -1.10 113.70 117.41 1wi2 s SER 92 Ca 0.23 -1.62 0.07 0.00 0.70 0.00 0.00 55.95 55.34 1wi2 s SER 92 Cb -0.15 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 1wi2 s SER 92 CO 0.09 -0.23 0.44 0.00 1.20 0.00 0.00 173.24 174.74 1wi2 s MET 93 N 1.33 2.43 -0.33 5.44 0.23 -1.20 -0.15 119.30 127.06 1wi2 s MET 93 Ca 0.19 -1.68 -0.04 0.00 -1.03 0.00 0.00 55.69 53.13 1wi2 s MET 93 Cb -0.12 -2.34 0.05 0.00 -1.53 0.00 0.00 34.83 30.89 1wi2 s MET 93 CO -0.04 -0.39 0.06 0.50 -2.03 0.00 0.00 175.02 173.12 1wi2 s ARG 94 N -4.24 2.47 0.24 3.16 3.52 0.32 -2.53 118.95 121.88 1wi2 s ARG 94 Ca 0.46 -1.29 0.09 0.00 -0.13 0.00 0.00 55.73 54.86 1wi2 s ARG 94 Cb -0.03 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1wi2 s ARG 94 CO 0.27 -0.68 0.02 0.14 -0.81 0.00 0.00 175.30 174.24 1wi2 s VAL 95 N 1.30 3.66 -0.20 7.11 -7.23 -0.81 -0.05 120.40 124.18 1wi2 s VAL 95 Ca -0.02 -1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 1wi2 s VAL 95 Cb -0.20 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.87 1wi2 s VAL 95 CO 0.00 -0.29 0.54 -0.60 -0.31 0.00 0.00 175.10 174.44 1wi2 s ARG 96 N -3.47 0.62 -0.90 4.82 3.52 -1.21 -1.05 118.95 121.28 1wi2 s ARG 96 Ca 0.30 0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 56.36 1wi2 s ARG 96 Cb -0.07 0.30 -0.20 0.00 -1.56 0.00 0.00 34.95 33.42 1wi2 s ARG 96 CO 0.20 -0.08 2.62 1.19 -0.81 0.00 0.00 175.30 178.43 1wi2 n PHE 97 N 2.82 0.70 -1.54 5.12 3.72 -1.26 -4.07 117.46 122.95 1wi2 n PHE 97 Ca -0.14 0.31 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1wi2 n PHE 97 Cb 0.56 -2.35 -0.05 0.00 -0.94 0.00 0.00 39.48 36.70 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 11.38 1.84 -2.81 1.38 7.35 -1.26 -4.75 117.46 130.59 1wi2 n PHE 98 Ca 0.61 -2.41 -0.03 0.00 -0.76 0.00 0.00 57.45 54.85 1wi2 n PHE 98 Cb 0.13 -1.81 0.00 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 n SER 99 N 2.00 -7.85 -3.48 -2.13 2.88 -1.26 -4.97 113.62 98.81 1wi2 n SER 99 Ca 0.59 1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 59.09 1wi2 n SER 99 Cb 0.44 -4.98 -0.03 0.00 -0.75 0.00 0.00 64.21 58.89 1wi2 n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi2 s GLY 100 N -1.84 -0.53 0.88 0.46 0.00 -1.26 -5.15 107.32 99.88 1wi2 s GLY 100 Ca 0.08 0.98 -0.12 0.00 0.00 0.00 0.00 44.72 45.65 1wi2 s GLY 100 CO 0.73 0.47 1.13 2.56 0.00 0.00 0.00 173.10 177.99 1wi2 s PRO 101 N -2.75 1.39 -0.14 2.90 0.04 -1.26 -5.03 135.00 130.14 1wi2 s PRO 101 Ca -0.01 0.38 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 1wi2 s PRO 101 Cb -0.01 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1wi2 s PRO 101 CO -0.05 -2.05 -0.15 0.66 0.04 0.00 0.00 177.00 175.45 1wi2 h SER 102 N -1.39 0.00 -1.74 6.66 4.64 -2.03 -3.48 113.55 116.21 1wi2 h SER 102 Ca -0.50 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1wi2 h SER 102 Cb 1.32 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1wi2 h SER 102 CO 0.61 0.78 -0.29 -0.94 -0.87 0.00 0.00 176.83 176.12 1wi2 s SER 103 N -5.78 -0.79 0.00 4.97 1.04 -1.26 -5.14 113.70 106.73 1wi2 s SER 103 Ca -0.15 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1wi2 s SER 103 Cb 0.02 1.85 0.00 0.00 0.10 0.00 0.00 66.02 67.99 1wi2 s SER 103 CO 0.23 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.80