#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 0.00 -0.40 1.61 7.64 -1.26 -5.16 113.62 116.06 1wi2 n SER 2 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1wi2 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wi2 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wi2 n SER 3 N 0.00 -2.35 0.00 6.43 2.88 -1.26 -5.04 113.62 114.28 1wi2 n SER 3 Ca 0.00 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1wi2 n SER 3 Cb 0.00 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 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 -1.46 0.43 0.00 0.46 0.00 -1.26 -5.19 105.19 98.17 1wi2 n GLY 4 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -3.72 1.61 7.64 -1.26 -5.16 113.62 112.73 1wi2 n SER 5 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wi2 n SER 5 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.00 -0.47 -1.09 6.43 1.04 -1.26 -4.95 113.70 113.41 1wi2 s SER 6 Ca 0.00 0.87 -0.05 0.00 0.48 0.00 0.00 55.95 57.25 1wi2 s SER 6 Cb 0.00 0.85 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 1wi2 s SER 6 CO 0.00 -0.16 0.93 0.61 0.98 0.00 0.00 173.24 175.60 1wi2 n GLY 7 N 3.24 -0.98 1.04 7.32 0.00 -1.26 -4.85 105.19 109.70 1wi2 n GLY 7 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1wi2 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wi2 n ASN 8 N -3.20 0.00 -4.93 1.61 3.02 -1.26 -5.13 115.26 105.38 1wi2 n ASN 8 Ca -0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.21 1wi2 n ASN 8 Cb 0.63 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 1wi2 n ASN 8 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wi2 s ASN 9 N -1.55 6.11 -0.21 6.41 4.22 -1.26 -5.02 114.94 123.64 1wi2 s ASN 9 Ca 0.00 0.01 0.11 0.00 -2.14 0.00 0.00 52.86 50.84 1wi2 s ASN 9 Cb 0.00 -1.75 0.42 0.00 1.28 0.00 0.00 41.25 41.20 1wi2 s ASN 9 CO 0.00 -0.04 1.22 1.21 -2.04 0.00 0.00 177.10 177.45 1wi2 n GLU 10 N -1.17 1.62 -1.17 3.55 4.07 -1.26 -4.71 120.64 121.57 1wi2 n GLU 10 Ca -0.08 -3.32 -0.27 0.00 -0.06 0.00 0.00 57.16 53.43 1wi2 n GLU 10 Cb 0.57 -1.62 0.11 0.00 -0.06 0.00 0.00 31.44 30.44 1wi2 n GLU 10 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wi2 n LEU 11 N -1.09 6.94 -4.76 4.31 4.77 -1.26 -4.97 117.00 120.94 1wi2 n LEU 11 Ca 0.19 -3.76 -0.41 0.00 -0.03 0.00 0.00 56.01 52.01 1wi2 n LEU 11 Cb 0.70 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1wi2 n LEU 11 CO -0.03 1.22 0.97 0.28 -1.33 0.00 0.00 177.39 178.51 1wi2 s THR 12 N -3.67 2.95 0.40 -5.08 -1.32 -1.26 -4.84 115.64 102.82 1wi2 s THR 12 Ca 0.55 0.88 0.00 0.00 -1.21 0.00 0.00 61.69 61.90 1wi2 s THR 12 Cb 0.44 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 1wi2 s THR 12 CO 0.04 0.18 0.00 0.00 -2.21 0.00 0.00 174.62 172.63 1wi2 n GLN 13 N 1.60 0.00 -0.76 7.08 6.02 -1.26 -5.01 117.38 125.05 1wi2 n GLN 13 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.98 1wi2 n GLN 13 Cb 0.42 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.64 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 -3.49 0.00 -1.08 1.08 1.16 -1.26 -5.14 117.46 108.73 1wi2 n PHE 14 Ca 0.00 -0.28 -0.34 0.00 -1.87 0.00 0.00 57.45 54.96 1wi2 n PHE 14 Cb 0.00 0.39 0.12 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 2.89 0.00 5.98 4.77 -1.26 -5.01 117.00 124.37 1wi2 n LEU 15 Ca -0.16 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1wi2 n LEU 15 Cb 0.58 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1wi2 n LEU 15 CO -0.08 -2.32 0.00 -0.81 -1.33 0.00 0.00 177.39 172.85 1wi2 n PRO 16 N -2.50 -0.13 -4.07 3.23 -0.04 -1.26 -5.06 135.00 125.16 1wi2 n PRO 16 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1wi2 n PRO 16 Cb 0.51 0.00 -0.11 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 -2.27 0.56 -0.33 0.54 3.03 -0.75 -5.02 118.95 114.71 1wi2 s ARG 17 Ca 0.00 -0.89 -0.07 0.00 2.03 0.00 0.00 55.73 56.80 1wi2 s ARG 17 Cb 0.00 -0.16 0.02 0.00 -1.03 0.00 0.00 34.95 33.78 1wi2 s ARG 17 CO 0.00 0.01 0.11 0.42 -1.13 0.00 0.00 175.30 174.71 1wi2 s ILE 18 N -2.07 3.99 -0.54 4.99 -1.09 -1.26 -1.26 121.20 123.97 1wi2 s ILE 18 Ca -0.05 -0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 1wi2 s ILE 18 Cb -0.05 -3.17 0.08 0.00 -1.58 0.00 0.00 42.46 37.73 1wi2 s ILE 18 CO -0.02 -0.08 0.64 -0.69 -1.23 0.00 0.00 174.94 173.56 1wi2 s VAL 19 N 1.47 4.87 -0.18 2.92 1.01 -0.42 -4.97 120.40 125.09 1wi2 s VAL 19 Ca 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1wi2 s VAL 19 Cb -0.18 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1wi2 s VAL 19 CO 0.03 -0.91 0.37 -0.89 0.00 0.00 0.00 175.10 173.70 1wi2 s THR 20 N 2.60 5.23 0.47 3.92 2.01 -1.26 -3.19 115.64 125.42 1wi2 s THR 20 Ca 0.13 0.68 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1wi2 s THR 20 Cb -0.21 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1wi2 s THR 20 CO 0.10 0.30 0.28 -0.76 -0.69 0.00 0.00 174.62 173.84 1wi2 s LEU 21 N 1.01 2.96 0.00 4.42 1.02 0.04 -4.95 118.68 123.18 1wi2 s LEU 21 Ca 0.19 -1.12 0.00 0.00 0.02 0.00 0.00 54.13 53.22 1wi2 s LEU 21 Cb -0.14 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1wi2 s LEU 21 CO 0.07 -0.78 0.00 1.17 0.02 0.00 0.00 176.35 176.83 1wi2 n LYS 22 N -1.47 0.00 -2.13 1.70 4.81 -1.26 -3.88 118.16 115.92 1wi2 n LYS 22 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1wi2 n LYS 22 Cb 0.64 -0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.52 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 -2.01 -5.76 -1.53 1.64 0.00 -1.26 -4.60 118.16 104.64 1wi2 n LYS 23 Ca 0.00 4.06 -0.29 0.00 0.00 0.00 0.00 58.31 62.08 1wi2 n LYS 23 Cb 0.00 -4.40 0.17 0.00 0.00 0.00 0.00 35.03 30.80 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 -0.53 0.50 0.10 1.64 0.04 -1.26 -4.98 135.00 130.51 1wi2 s PRO 24 Ca 0.00 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 1wi2 s PRO 24 Cb 0.00 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1wi2 s PRO 24 CO 0.00 -2.58 1.15 -1.25 0.04 0.00 0.00 177.00 174.35 1wi2 s PRO 25 N -5.45 4.50 -1.34 0.56 0.04 -1.26 -3.06 135.00 128.99 1wi2 s PRO 25 Ca 0.68 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 1wi2 s PRO 25 Cb -0.11 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wi2 s PRO 25 CO 0.54 -0.13 0.29 0.41 0.04 0.00 0.00 177.00 178.15 1wi2 n GLY 26 N 2.78 -0.31 3.82 0.56 0.00 -1.26 -5.00 105.19 105.78 1wi2 n GLY 26 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 4.10 -0.03 4.61 0.00 -1.17 -5.11 121.76 121.19 1wi2 s ALA 27 Ca 0.14 -1.35 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 1wi2 s ALA 27 Cb -0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1wi2 s ALA 27 CO 0.18 -0.27 0.67 1.14 0.00 0.00 0.00 175.76 177.48 1wi2 s GLN 28 N -4.08 4.41 0.08 0.00 -2.07 -1.26 -4.94 119.66 111.79 1wi2 s GLN 28 Ca 0.31 0.84 -0.15 0.00 -1.82 0.00 0.00 55.36 54.54 1wi2 s GLN 28 Cb 0.00 -3.40 -0.03 0.00 -1.09 0.00 0.00 33.01 28.49 1wi2 s GLN 28 CO 0.18 0.20 1.23 -0.11 -1.32 0.00 0.00 175.29 175.47 1wi2 n LEU 29 N 3.27 -0.52 0.00 2.60 7.94 -1.26 -4.85 117.00 124.19 1wi2 n LEU 29 Ca -0.04 1.35 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1wi2 n LEU 29 Cb 0.51 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1wi2 n LEU 29 CO 0.46 -0.95 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 1wi2 n GLY 30 N -1.12 0.82 3.28 -3.96 0.00 -1.26 -4.69 105.19 98.26 1wi2 n GLY 30 Ca 0.01 0.00 -0.10 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 -1.50 -0.11 -0.04 1.61 -0.71 -1.26 0.16 117.98 116.13 1wi2 s PHE 31 Ca 0.00 -0.18 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 1wi2 s PHE 31 Cb 0.00 0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1wi2 s PHE 31 CO 0.00 -0.63 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.42 1wi2 s ASN 32 N -2.65 4.93 0.21 1.98 0.01 0.45 -4.92 114.94 114.94 1wi2 s ASN 32 Ca 0.02 -0.00 0.07 0.00 -0.71 0.00 0.00 52.86 52.24 1wi2 s ASN 32 Cb 0.02 -1.28 -0.04 0.00 0.41 0.00 0.00 41.25 40.37 1wi2 s ASN 32 CO -0.10 0.33 0.07 0.27 -1.51 0.00 0.00 177.10 176.15 1wi2 s ILE 33 N -0.95 3.96 0.34 0.60 -4.36 -1.26 0.78 121.20 120.32 1wi2 s ILE 33 Ca 0.16 -1.46 -0.13 0.00 -0.26 0.00 0.00 60.65 58.96 1wi2 s ILE 33 Cb -0.11 -3.06 0.03 0.00 1.25 0.00 0.00 42.46 40.57 1wi2 s ILE 33 CO 0.05 -0.22 0.67 0.00 0.24 0.00 0.00 174.94 175.69 1wi2 s ARG 34 N -3.32 2.02 3.52 0.37 1.70 -0.95 -4.69 118.95 117.60 1wi2 s ARG 34 Ca 0.30 -1.43 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1wi2 s ARG 34 Cb -0.08 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1wi2 s ARG 34 CO 0.21 -0.91 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1wi2 n GLY 35 N -0.51 0.60 1.78 3.88 0.00 -1.25 -1.67 105.19 108.02 1wi2 n GLY 35 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.82 0.00 -0.02 0.00 0.36 -4.75 105.19 98.96 1wi2 n GLY 36 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.20 0.00 0.00 1.61 5.02 -1.26 -4.78 118.16 118.55 1wi2 n LYS 37 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wi2 n LYS 37 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 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 -3.00 0.00 -3.62 7.82 0.00 -1.26 -3.89 120.51 116.56 1wi2 n ALA 38 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1wi2 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 -3.25 -2.56 0.00 2.88 -1.26 -2.44 113.62 106.99 1wi2 n SER 39 Ca 0.00 -0.55 -0.04 0.00 -1.33 0.00 0.00 58.87 56.94 1wi2 n SER 39 Cb 0.00 -2.70 0.01 0.00 -0.75 0.00 0.00 64.21 60.76 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 -3.83 -1.60 0.00 -1.46 6.02 -1.26 -5.06 117.38 110.19 1wi2 n GLN 40 Ca 0.02 1.61 0.00 0.00 -0.01 0.00 0.00 57.00 58.62 1wi2 n GLN 40 Cb 0.52 -4.67 0.00 0.00 1.02 0.00 0.00 30.24 27.10 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 -0.66 0.00 0.00 1.08 -0.00 -1.02 -5.09 117.00 111.31 1wi2 n LEU 41 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1wi2 n LEU 41 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1wi2 n LEU 41 CO 0.37 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.37 1wi2 n GLY 42 N 0.00 0.65 3.66 -3.96 0.00 -1.25 -4.79 105.19 99.50 1wi2 n GLY 42 Ca 0.00 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.26 5.05 0.07 -0.61 -1.09 -1.02 0.14 121.20 120.47 1wi2 s ILE 43 Ca 0.00 1.12 0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1wi2 s ILE 43 Cb 0.00 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1wi2 s ILE 43 CO 0.00 0.14 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.30 1wi2 s PHE 44 N 1.79 1.59 -1.12 3.97 0.40 -0.67 -0.03 117.98 123.91 1wi2 s PHE 44 Ca 0.28 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.95 1wi2 s PHE 44 Cb -0.16 -0.91 -0.19 0.00 0.51 0.00 0.00 43.02 42.28 1wi2 s PHE 44 CO 0.10 0.12 2.06 0.42 0.70 0.00 0.00 175.22 178.63 1wi2 s ILE 45 N -1.03 3.18 0.10 0.64 -1.09 0.06 -2.24 121.20 120.81 1wi2 s ILE 45 Ca 0.04 -0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 57.92 1wi2 s ILE 45 Cb -0.09 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 1wi2 s ILE 45 CO 0.03 -0.32 1.41 0.77 -1.23 0.00 0.00 174.94 175.59 1wi2 h SER 46 N 11.07 -1.39 -5.18 3.58 4.64 0.09 -3.30 113.55 123.06 1wi2 h SER 46 Ca 0.07 0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1wi2 h SER 46 Cb 0.98 0.57 -0.14 0.00 -0.31 0.00 0.00 62.40 63.50 1wi2 h SER 46 CO 1.07 -0.30 -0.39 -0.75 -0.87 0.00 0.00 176.83 175.59 1wi2 s LYS 47 N -4.96 0.86 -0.02 4.77 2.36 -0.70 -4.85 119.74 117.20 1wi2 s LYS 47 Ca -0.11 -1.01 0.03 0.00 -2.55 0.00 0.00 55.97 52.34 1wi2 s LYS 47 Cb 0.06 0.33 -0.00 0.00 -1.05 0.00 0.00 37.83 37.17 1wi2 s LYS 47 CO 0.46 -0.27 -0.12 0.08 1.55 0.00 0.00 175.35 177.04 1wi2 s VAL 48 N -3.88 0.99 0.05 4.02 1.01 -1.26 0.17 120.40 121.50 1wi2 s VAL 48 Ca 0.07 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 1wi2 s VAL 48 Cb 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1wi2 s VAL 48 CO -0.10 0.29 1.51 -0.63 0.00 0.00 0.00 175.10 176.18 1wi2 s ILE 49 N -0.04 3.34 -0.90 2.22 -1.09 0.43 -4.86 121.20 120.30 1wi2 s ILE 49 Ca 0.00 0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 59.15 1wi2 s ILE 49 Cb -0.08 -3.51 -0.10 0.00 -1.58 0.00 0.00 42.46 37.19 1wi2 s ILE 49 CO 0.00 0.01 2.58 -0.81 -1.23 0.00 0.00 174.94 175.49 1wi2 n PRO 50 N 5.25 2.45 0.00 2.79 -0.04 -1.26 -2.83 135.00 141.35 1wi2 n PRO 50 Ca 0.14 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1wi2 n PRO 50 Cb 0.42 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.59 0.00 -4.08 3.54 5.68 -1.26 -5.14 116.55 118.88 1wi2 n ASP 51 Ca 0.52 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.66 1wi2 n ASP 51 Cb 0.31 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.19 1wi2 n ASP 51 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1wi2 s SER 52 N 0.00 0.76 0.48 -1.12 1.04 -1.13 -5.02 113.70 108.71 1wi2 s SER 52 Ca 0.00 -1.46 0.20 0.00 0.48 0.00 0.00 55.95 55.16 1wi2 s SER 52 Cb 0.00 0.36 1.21 0.00 0.10 0.00 0.00 66.02 67.69 1wi2 s SER 52 CO 0.00 -0.86 2.04 0.44 0.98 0.00 0.00 173.24 175.84 1wi2 h ASP 53 N 2.45 0.00 0.69 7.02 3.32 -1.90 0.47 116.42 128.47 1wi2 h ASP 53 Ca -0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1wi2 h ASP 53 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1wi2 h ASP 53 CO 0.52 0.15 -0.17 0.00 -1.72 0.00 0.00 179.24 178.02 1wi2 h ALA 54 N 1.85 1.11 0.00 3.45 0.00 -1.84 1.60 119.26 125.44 1wi2 h ALA 54 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1wi2 h ALA 54 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wi2 h ALA 54 CO 0.02 0.21 -0.95 1.25 0.00 0.00 0.00 179.25 179.78 1wi2 h HIS 55 N 0.00 0.00 0.00 0.00 6.17 -1.12 -2.87 115.15 117.33 1wi2 h HIS 55 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 1wi2 h HIS 55 Cb 0.56 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.47 1wi2 h HIS 55 CO 0.00 0.40 -1.79 2.89 0.71 0.00 0.00 177.93 180.15 1wi2 n ARG 56 N -2.97 0.65 -0.09 5.26 -4.01 -0.74 -4.24 116.66 110.52 1wi2 n ARG 56 Ca -0.03 -0.01 -0.10 0.00 -1.04 0.00 0.00 57.85 56.67 1wi2 n ARG 56 Cb 0.73 -1.64 -0.02 0.00 -3.04 0.00 0.00 32.46 28.49 1wi2 n ARG 56 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wi2 h ALA 57 N 1.65 0.39 0.00 2.89 0.00 0.22 -3.47 119.26 120.93 1wi2 h ALA 57 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wi2 h ALA 57 Cb 1.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wi2 h ALA 57 CO 0.02 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1wi2 n GLY 58 N -0.79 0.74 3.82 0.00 0.00 -1.24 -4.99 105.19 102.74 1wi2 n GLY 58 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 4.12 -0.02 0.99 1.02 -1.08 -5.09 118.68 118.62 1wi2 s LEU 59 Ca 0.00 0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.48 1wi2 s LEU 59 Cb 0.00 -2.12 0.01 0.00 0.02 0.00 0.00 46.19 44.11 1wi2 s LEU 59 CO 0.00 0.36 -0.02 -1.10 0.02 0.00 0.00 176.35 175.61 1wi2 s GLN 60 N -1.23 0.33 -0.63 1.70 -0.21 -1.26 -4.84 119.66 113.52 1wi2 s GLN 60 Ca 0.17 -0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.21 1wi2 s GLN 60 Cb -0.12 -0.40 -0.14 0.00 1.00 0.00 0.00 33.01 33.34 1wi2 s GLN 60 CO 0.07 -0.03 2.44 0.39 -2.12 0.00 0.00 175.29 176.04 1wi2 n GLU 61 N 3.59 0.62 0.00 2.91 1.02 -1.26 -0.57 120.64 126.95 1wi2 n GLU 61 Ca -0.20 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1wi2 n GLU 61 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 6.43 1.09 3.72 0.62 0.00 -1.24 -5.05 105.19 110.76 1wi2 n GLY 62 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.15 6.66 -0.13 1.61 1.01 0.27 -4.52 116.67 121.42 1wi2 s ASP 63 Ca 0.00 2.53 -0.12 0.00 0.71 0.00 0.00 52.55 55.66 1wi2 s ASP 63 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1wi2 s ASP 63 CO 0.00 -0.77 0.27 -1.58 0.21 0.00 0.00 175.17 173.30 1wi2 s GLN 64 N 1.10 4.06 -0.54 8.23 0.74 -1.26 -0.76 119.66 131.22 1wi2 s GLN 64 Ca 0.68 0.07 -0.22 0.00 0.05 0.00 0.00 55.36 55.94 1wi2 s GLN 64 Cb -0.42 -3.35 0.05 0.00 1.10 0.00 0.00 33.01 30.39 1wi2 s GLN 64 CO 0.31 0.41 0.83 0.08 -0.55 0.00 0.00 175.29 176.37 1wi2 s VAL 65 N -0.04 4.55 0.00 1.34 1.01 0.96 -3.29 120.40 124.94 1wi2 s VAL 65 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1wi2 s VAL 65 Cb -0.13 -4.47 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 1wi2 s VAL 65 CO 0.05 -1.03 0.93 -0.07 0.00 0.00 0.00 175.10 174.98 1wi2 h LEU 66 N 10.56 -0.53 -8.47 3.92 3.38 0.16 -3.40 115.31 120.93 1wi2 h LEU 66 Ca -0.27 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.42 1wi2 h LEU 66 Cb 1.08 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 1wi2 h LEU 66 CO 1.05 -0.27 -0.72 0.00 0.09 0.00 0.00 178.44 178.59 1wi2 s ALA 67 N -4.27 1.12 -0.25 1.53 0.00 -1.20 -1.31 121.76 117.39 1wi2 s ALA 67 Ca -0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 1wi2 s ALA 67 Cb 0.01 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.26 1wi2 s ALA 67 CO 0.27 -0.08 0.06 0.08 0.00 0.00 0.00 175.76 176.09 1wi2 s VAL 68 N -2.75 0.73 -1.23 0.00 1.01 0.39 0.51 120.40 119.06 1wi2 s VAL 68 Ca 0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wi2 s VAL 68 Cb -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1wi2 s VAL 68 CO -0.01 -0.40 0.95 0.59 0.00 0.00 0.00 175.10 176.23 1wi2 n ASN 69 N 4.95 -2.06 0.00 3.32 3.02 -0.45 -2.11 115.26 121.93 1wi2 n ASN 69 Ca -0.06 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1wi2 n ASN 69 Cb 0.45 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 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 -3.11 0.00 -4.66 6.41 -0.08 -1.26 -4.95 116.55 108.90 1wi2 n ASP 70 Ca -0.28 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.55 1wi2 n ASP 70 Cb 0.67 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 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 1.00 -2.43 5.18 0.31 -0.90 -4.93 118.33 116.56 1wi2 n VAL 71 Ca 0.00 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.75 1wi2 n VAL 71 Cb 0.00 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 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 6.30 -0.09 4.52 2.15 -1.26 0.15 116.67 128.66 1wi2 s ASP 72 Ca 0.68 1.83 0.17 0.00 0.43 0.00 0.00 52.55 55.66 1wi2 s ASP 72 Cb -0.67 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 39.77 1wi2 s ASP 72 CO 0.51 -0.81 1.17 0.49 -0.17 0.00 0.00 175.17 176.35 1wi2 n PHE 73 N -1.28 0.00 0.15 -5.34 3.01 -0.43 -4.72 117.46 108.85 1wi2 n PHE 73 Ca 0.09 -0.85 0.06 0.00 1.01 0.00 0.00 57.45 57.75 1wi2 n PHE 73 Cb 0.53 -0.17 0.06 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.79 0.00 -1.23 -1.08 4.20 -1.80 -2.71 115.11 113.29 1wi2 h GLN 74 Ca -0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1wi2 h GLN 74 Cb 1.43 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.99 1wi2 h GLN 74 CO 0.04 0.27 -0.50 -0.51 -0.67 0.00 0.00 178.83 177.46 1wi2 s ASP 75 N -6.20 -0.91 0.10 1.46 1.01 -1.26 -4.16 116.67 106.70 1wi2 s ASP 75 Ca 0.04 -0.85 -0.10 0.00 0.71 0.00 0.00 52.55 52.34 1wi2 s ASP 75 Cb 0.07 1.65 0.01 0.00 1.01 0.00 0.00 42.92 45.65 1wi2 s ASP 75 CO 0.73 -0.21 0.24 -0.51 0.21 0.00 0.00 175.17 175.63 1wi2 s ILE 76 N 1.87 0.13 0.12 0.77 2.07 -1.26 -5.00 121.20 119.89 1wi2 s ILE 76 Ca 0.15 -1.04 -0.30 0.00 -1.41 0.00 0.00 60.65 58.05 1wi2 s ILE 76 Cb -0.07 -1.30 -0.07 0.00 0.13 0.00 0.00 42.46 41.16 1wi2 s ILE 76 CO -0.09 -0.57 1.16 -1.61 -1.91 0.00 0.00 174.94 171.92 1wi2 s GLU 77 N -3.84 4.50 0.14 3.50 0.41 -1.26 -4.57 118.70 117.58 1wi2 s GLU 77 Ca 0.04 1.77 -0.30 0.00 -0.41 0.00 0.00 54.97 56.07 1wi2 s GLU 77 Cb 0.04 -3.31 -0.08 0.00 -1.78 0.00 0.00 34.13 29.01 1wi2 s GLU 77 CO -0.11 -0.12 1.51 1.25 -0.49 0.00 0.00 175.26 177.31 1wi2 h HIS 78 N 5.95 -1.74 -0.59 1.61 -0.00 -1.91 0.30 115.15 118.78 1wi2 h HIS 78 Ca -0.43 0.11 0.11 0.00 -0.00 0.00 0.00 60.37 60.15 1wi2 h HIS 78 Cb 1.21 0.86 -0.11 0.00 -0.00 0.00 0.00 27.41 29.37 1wi2 h HIS 78 CO 0.65 -0.39 -0.32 0.77 -0.00 0.00 0.00 177.93 178.64 1wi2 h SER 79 N -0.12 -1.12 -0.24 3.26 0.02 -1.97 0.85 113.55 114.23 1wi2 h SER 79 Ca 0.13 0.22 0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1wi2 h SER 79 Cb 0.44 0.56 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 1wi2 h SER 79 CO -0.79 -0.30 -0.33 0.50 -1.14 0.00 0.00 176.83 174.77 1wi2 h LYS 80 N -0.16 -0.33 -0.65 3.45 3.64 -0.99 0.79 116.57 122.33 1wi2 h LYS 80 Ca 0.24 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 1wi2 h LYS 80 Cb 0.55 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 1wi2 h LYS 80 CO -0.67 -0.22 -0.18 0.00 -2.27 0.00 0.00 179.45 176.11 1wi2 h ALA 81 N 0.54 0.40 -0.16 5.00 0.00 0.16 1.51 119.26 126.70 1wi2 h ALA 81 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wi2 h ALA 81 Cb 0.54 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1wi2 h ALA 81 CO -0.43 -0.44 0.09 0.28 0.00 0.00 0.00 179.25 178.75 1wi2 h VAL 82 N -0.01 1.09 0.47 0.00 2.07 0.83 -1.94 116.25 118.76 1wi2 h VAL 82 Ca 0.31 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1wi2 h VAL 82 Cb 0.49 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1wi2 h VAL 82 CO -0.67 0.09 -0.37 -0.33 0.02 0.00 0.00 177.57 176.31 1wi2 h GLU 83 N 0.16 -0.80 -0.34 1.57 5.08 0.34 -1.46 114.58 119.14 1wi2 h GLU 83 Ca 0.06 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1wi2 h GLU 83 Cb 0.06 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1wi2 h GLU 83 CO -0.01 -0.53 -0.29 0.82 -1.00 0.00 0.00 179.01 178.00 1wi2 h ILE 84 N -0.83 0.00 -0.92 3.13 2.04 0.21 1.38 117.51 122.51 1wi2 h ILE 84 Ca -0.05 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.06 1wi2 h ILE 84 Cb 0.71 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.62 1wi2 h ILE 84 CO 0.00 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 178.17 1wi2 h LEU 85 N -0.11 -0.31 0.30 1.44 3.38 -1.25 1.32 115.31 120.08 1wi2 h LEU 85 Ca 0.06 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1wi2 h LEU 85 Cb 0.26 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wi2 h LEU 85 CO -0.38 -0.28 -0.14 0.11 0.09 0.00 0.00 178.44 177.84 1wi2 h LYS 86 N 0.07 -0.39 -0.44 1.13 1.57 1.00 -2.67 116.57 116.83 1wi2 h LYS 86 Ca 0.57 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.50 1wi2 h LYS 86 Cb 1.16 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1wi2 h LYS 86 CO -0.81 -0.26 0.69 1.79 -0.57 0.00 0.00 179.45 180.29 1wi2 h THR 87 N -0.47 0.15 -2.82 -0.16 1.35 0.30 -3.32 112.91 107.94 1wi2 h THR 87 Ca -0.04 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.22 1wi2 h THR 87 Cb 0.31 0.40 -0.12 0.00 -1.73 0.00 0.00 68.15 67.01 1wi2 h THR 87 CO 0.07 0.00 0.67 0.00 -0.25 0.00 0.00 175.52 176.01 1wi2 s ALA 88 N -4.38 3.05 0.23 6.62 0.00 0.44 -4.90 121.76 122.82 1wi2 s ALA 88 Ca -0.03 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1wi2 s ALA 88 Cb 0.12 -3.90 0.30 0.00 0.00 0.00 0.00 23.12 19.64 1wi2 s ALA 88 CO 0.40 -2.73 1.59 0.07 0.00 0.00 0.00 175.76 175.09 1wi2 h ARG 89 N 9.57 -0.02 -5.23 0.00 0.11 -1.79 -3.36 114.38 113.65 1wi2 h ARG 89 Ca -0.28 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.15 1wi2 h ARG 89 Cb 1.07 0.01 -0.28 0.00 1.11 0.00 0.00 29.97 31.87 1wi2 h ARG 89 CO 1.17 -0.01 -0.78 -1.83 0.10 0.00 0.00 179.97 178.62 1wi2 s GLU 90 N -6.19 3.31 -0.14 0.08 -1.05 -1.26 -4.89 118.70 108.56 1wi2 s GLU 90 Ca -0.15 -0.70 -0.25 0.00 -0.15 0.00 0.00 54.97 53.72 1wi2 s GLU 90 Cb 0.22 -2.68 -0.02 0.00 -0.44 0.00 0.00 34.13 31.21 1wi2 s GLU 90 CO 0.74 0.08 0.81 0.42 0.95 0.00 0.00 175.26 178.27 1wi2 s ILE 91 N 0.68 4.91 -0.45 1.83 1.01 -1.25 -4.92 121.20 123.02 1wi2 s ILE 91 Ca -0.06 1.61 0.06 0.00 0.00 0.00 0.00 60.65 62.26 1wi2 s ILE 91 Cb -0.15 -4.13 0.20 0.00 0.01 0.00 0.00 42.46 38.39 1wi2 s ILE 91 CO 0.02 0.07 0.54 -1.20 0.00 0.00 0.00 174.94 174.38 1wi2 n SER 92 N 4.90 -1.52 -5.01 3.58 7.64 -1.26 -0.78 113.62 121.18 1wi2 n SER 92 Ca 0.03 -2.69 -0.17 0.00 1.01 0.00 0.00 58.87 57.06 1wi2 n SER 92 Cb 0.49 0.37 0.01 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.16 2.80 -0.18 1.43 0.23 -1.19 -1.34 119.30 121.21 1wi2 s MET 93 Ca 0.32 -1.26 -0.00 0.00 -1.03 0.00 0.00 55.69 53.72 1wi2 s MET 93 Cb 0.07 -2.75 0.01 0.00 -1.53 0.00 0.00 34.83 30.63 1wi2 s MET 93 CO -0.15 -0.29 -0.15 0.50 -2.03 0.00 0.00 175.02 172.90 1wi2 s ARG 94 N -4.36 3.13 0.37 3.16 3.52 0.18 -1.30 118.95 123.64 1wi2 s ARG 94 Ca 0.55 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 55.47 1wi2 s ARG 94 Cb -0.10 -2.69 -0.05 0.00 -1.56 0.00 0.00 34.95 30.55 1wi2 s ARG 94 CO 0.33 -0.16 0.10 0.14 -0.81 0.00 0.00 175.30 174.90 1wi2 s VAL 95 N 1.25 2.59 -0.29 7.11 -7.23 -0.38 0.18 120.40 123.62 1wi2 s VAL 95 Ca 0.03 -1.82 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 1wi2 s VAL 95 Cb -0.14 -2.91 0.12 0.00 0.56 0.00 0.00 36.38 34.00 1wi2 s VAL 95 CO -0.08 -0.12 0.82 -0.60 -0.31 0.00 0.00 175.10 174.81 1wi2 s ARG 96 N -3.81 0.54 -0.43 4.82 3.52 -1.21 -1.80 118.95 120.58 1wi2 s ARG 96 Ca 0.37 1.00 -0.40 0.00 -0.13 0.00 0.00 55.73 56.58 1wi2 s ARG 96 Cb 0.01 0.21 -0.17 0.00 -1.56 0.00 0.00 34.95 33.44 1wi2 s ARG 96 CO 0.21 -0.12 1.58 0.34 -0.81 0.00 0.00 175.30 176.50 1wi2 n PHE 97 N 4.24 1.30 -2.89 5.12 -0.00 -1.26 -4.24 117.46 119.74 1wi2 n PHE 97 Ca -0.18 0.86 -0.31 0.00 -0.00 0.00 0.00 57.45 57.81 1wi2 n PHE 97 Cb 0.57 -1.95 -0.02 0.00 -0.00 0.00 0.00 39.48 38.07 1wi2 n PHE 97 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1wi2 n PHE 98 N 4.74 3.62 -3.58 -5.13 7.35 -1.26 -4.95 117.46 118.24 1wi2 n PHE 98 Ca 0.36 -3.56 -0.02 0.00 -0.76 0.00 0.00 57.45 53.47 1wi2 n PHE 98 Cb -0.04 -0.72 -0.06 0.00 0.35 0.00 0.00 39.48 39.01 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 -2.75 -0.60 0.88 -2.13 0.15 -1.26 -4.99 113.70 103.00 1wi2 s SER 99 Ca 0.45 0.90 -0.09 0.00 0.70 0.00 0.00 55.95 57.92 1wi2 s SER 99 Cb 0.24 1.41 0.19 0.00 -1.71 0.00 0.00 66.02 66.15 1wi2 s SER 99 CO -0.12 -0.14 1.19 0.61 1.20 0.00 0.00 173.24 175.98 1wi2 n GLY 100 N 4.21 -0.44 0.12 9.45 0.00 -1.26 -5.00 105.19 112.27 1wi2 n GLY 100 Ca -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 1wi2 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi2 h PRO 101 N 0.00 0.00 -7.44 1.61 0.13 -2.04 -3.45 132.00 120.81 1wi2 h PRO 101 Ca -0.39 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.25 1wi2 h PRO 101 Cb 1.23 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.43 1wi2 h PRO 101 CO 0.34 0.68 0.41 0.45 -0.23 0.00 0.00 178.00 179.65 1wi2 s SER 102 N -6.72 5.61 -0.29 1.44 0.15 -1.26 -5.09 113.70 107.55 1wi2 s SER 102 Ca -0.00 1.17 -0.20 0.00 0.70 0.00 0.00 55.95 57.62 1wi2 s SER 102 Cb 0.11 -2.03 0.15 0.00 -1.71 0.00 0.00 66.02 62.54 1wi2 s SER 102 CO 0.77 -1.23 1.08 -0.94 1.20 0.00 0.00 173.24 174.12 1wi2 s SER 103 N -4.32 -0.39 0.00 5.45 1.04 -1.26 -5.12 113.70 109.10 1wi2 s SER 103 Ca 0.57 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1wi2 s SER 103 Cb -0.11 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1wi2 s SER 103 CO 0.52 -0.11 0.15 0.61 0.98 0.00 0.00 173.24 175.39