#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi2 s SER 2 N 0.00 -1.02 -0.18 1.61 0.15 -1.26 -5.16 113.70 107.85 1wi2 s SER 2 Ca 0.00 0.56 -0.28 0.00 0.70 0.00 0.00 55.95 56.92 1wi2 s SER 2 Cb 0.00 1.82 0.10 0.00 -1.71 0.00 0.00 66.02 66.23 1wi2 s SER 2 CO 0.00 -0.19 0.88 -0.55 1.20 0.00 0.00 173.24 174.58 1wi2 s SER 3 N 2.90 -0.52 0.00 5.45 0.15 -1.26 -5.13 113.70 115.29 1wi2 s SER 3 Ca 0.12 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1wi2 s SER 3 Cb -0.12 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wi2 s SER 3 CO -0.18 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1wi2 n GLY 4 N 1.42 1.27 3.64 9.45 0.00 -1.26 -5.15 105.19 114.55 1wi2 n GLY 4 Ca -0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1wi2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi2 s SER 5 N 0.00 -0.76 0.17 1.61 0.15 -1.26 -5.18 113.70 108.44 1wi2 s SER 5 Ca 0.00 1.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.88 1wi2 s SER 5 Cb 0.00 1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 65.58 1wi2 s SER 5 CO 0.00 -0.20 0.13 -0.94 1.20 0.00 0.00 173.24 173.42 1wi2 s SER 6 N 1.30 0.19 0.00 5.45 1.04 -1.26 -5.12 113.70 115.31 1wi2 s SER 6 Ca -0.08 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1wi2 s SER 6 Cb -0.05 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wi2 s SER 6 CO -0.15 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1wi2 n GLY 7 N -0.20 -1.93 2.98 7.32 0.00 -1.26 -5.15 105.19 106.94 1wi2 n GLY 7 Ca -0.02 0.99 -0.27 0.00 0.00 0.00 0.00 46.02 46.72 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 0.00 2.17 -0.19 1.61 -0.87 -1.26 -5.11 114.94 111.29 1wi2 s ASN 8 Ca 0.00 -0.34 -0.28 0.00 -1.57 0.00 0.00 52.86 50.67 1wi2 s ASN 8 Cb 0.00 -0.92 0.10 0.00 -0.02 0.00 0.00 41.25 40.41 1wi2 s ASN 8 CO 0.00 -0.05 0.85 0.20 -2.57 0.00 0.00 177.10 175.53 1wi2 s ASN 9 N 1.28 -0.57 -1.14 -1.22 0.01 -1.26 -5.09 114.94 106.95 1wi2 s ASN 9 Ca -0.02 0.89 -0.09 0.00 -0.71 0.00 0.00 52.86 52.93 1wi2 s ASN 9 Cb -0.14 0.83 0.25 0.00 0.41 0.00 0.00 41.25 42.61 1wi2 s ASN 9 CO -0.04 -0.34 1.30 -0.62 -1.51 0.00 0.00 177.10 175.89 1wi2 n GLU 10 N 1.70 3.67 -3.22 -0.60 1.02 -1.26 -4.81 120.64 117.14 1wi2 n GLU 10 Ca -0.14 -4.28 -0.24 0.00 -0.02 0.00 0.00 57.16 52.48 1wi2 n GLU 10 Cb 0.56 -2.68 -0.07 0.00 -0.02 0.00 0.00 31.44 29.24 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 3.18 0.82 -4.70 -4.62 4.77 -1.26 -5.10 117.00 110.09 1wi2 n LEU 11 Ca 0.28 -4.84 -0.40 0.00 -0.03 0.00 0.00 56.01 51.02 1wi2 n LEU 11 Cb 0.39 0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1wi2 n LEU 11 CO 0.57 2.09 0.47 0.28 -1.33 0.00 0.00 177.39 179.47 1wi2 s THR 12 N -1.53 4.99 0.00 -5.08 -1.32 -1.26 -4.76 115.64 106.68 1wi2 s THR 12 Ca 0.36 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 1wi2 s THR 12 Cb 0.18 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 1wi2 s THR 12 CO -0.09 0.19 0.00 1.67 -2.21 0.00 0.00 174.62 174.18 1wi2 n GLN 13 N 4.15 0.00 -1.96 7.08 -0.06 -1.26 -4.97 117.38 120.36 1wi2 n GLN 13 Ca 0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1wi2 n GLN 13 Cb 0.51 -0.03 0.03 0.00 -4.06 0.00 0.00 30.24 26.69 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 -2.01 -0.24 -4.31 3.69 3.01 -1.26 -5.11 117.46 111.22 1wi2 n PHE 14 Ca 0.00 -1.18 -0.32 0.00 1.01 0.00 0.00 57.45 56.96 1wi2 n PHE 14 Cb 0.00 0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.82 1wi2 n PHE 14 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 1wi2 s LEU 15 N -1.91 3.34 0.16 4.37 0.05 -1.26 -5.09 118.68 118.33 1wi2 s LEU 15 Ca 0.17 -0.12 -0.30 0.00 0.05 0.00 0.00 54.13 53.93 1wi2 s LEU 15 Cb 0.28 -1.97 -0.07 0.00 -2.05 0.00 0.00 46.19 42.38 1wi2 s LEU 15 CO -0.08 0.25 1.13 -2.16 -0.55 0.00 0.00 176.35 174.93 1wi2 s PRO 16 N -1.70 4.55 0.35 1.48 0.04 -1.26 -5.01 135.00 133.44 1wi2 s PRO 16 Ca 0.20 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1wi2 s PRO 16 Cb -0.11 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1wi2 s PRO 16 CO 0.11 -0.00 0.58 -0.98 0.04 0.00 0.00 177.00 176.76 1wi2 s ARG 17 N -0.11 3.53 -0.24 4.56 3.03 -0.91 -4.96 118.95 123.85 1wi2 s ARG 17 Ca 0.51 -0.16 -0.01 0.00 2.03 0.00 0.00 55.73 58.10 1wi2 s ARG 17 Cb -0.30 -2.62 0.03 0.00 -1.03 0.00 0.00 34.95 31.03 1wi2 s ARG 17 CO 0.34 0.11 -0.09 0.42 -1.13 0.00 0.00 175.30 174.96 1wi2 s ILE 18 N -2.32 2.68 -0.73 4.99 -1.09 -1.26 -1.76 121.20 121.72 1wi2 s ILE 18 Ca 0.42 -1.05 -0.19 0.00 -2.23 0.00 0.00 60.65 57.60 1wi2 s ILE 18 Cb -0.10 -2.34 0.12 0.00 -1.58 0.00 0.00 42.46 38.56 1wi2 s ILE 18 CO 0.36 0.24 0.89 -0.69 -1.23 0.00 0.00 174.94 174.51 1wi2 s VAL 19 N 1.30 4.78 -0.12 2.92 1.01 -0.49 -4.98 120.40 124.83 1wi2 s VAL 19 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 1wi2 s VAL 19 Cb -0.16 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 1wi2 s VAL 19 CO -0.06 -1.30 0.33 -0.89 0.00 0.00 0.00 175.10 173.19 1wi2 s THR 20 N 2.69 5.25 0.09 3.92 2.01 -1.26 -3.25 115.64 125.09 1wi2 s THR 20 Ca 0.21 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.90 1wi2 s THR 20 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1wi2 s THR 20 CO 0.01 0.44 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.49 1wi2 s LEU 21 N 0.04 2.33 -0.29 4.42 1.02 0.94 -4.95 118.68 122.19 1wi2 s LEU 21 Ca 0.19 -0.70 0.02 0.00 0.02 0.00 0.00 54.13 53.66 1wi2 s LEU 21 Cb -0.14 -0.46 0.08 0.00 0.02 0.00 0.00 46.19 45.69 1wi2 s LEU 21 CO 0.07 -0.14 -0.00 -0.54 0.02 0.00 0.00 176.35 175.75 1wi2 s LYS 22 N -2.19 1.57 -0.36 1.70 -0.14 -1.26 -2.47 119.74 116.59 1wi2 s LYS 22 Ca 0.02 -1.43 -0.29 0.00 -1.36 0.00 0.00 55.97 52.92 1wi2 s LYS 22 Cb -0.07 -2.81 0.02 0.00 -1.68 0.00 0.00 37.83 33.28 1wi2 s LYS 22 CO 0.02 -0.78 1.07 0.21 -0.76 0.00 0.00 175.35 175.11 1wi2 s LYS 23 N 1.17 3.95 0.88 1.68 2.47 -1.25 -5.02 119.74 123.61 1wi2 s LYS 23 Ca 0.02 0.88 -0.12 0.00 -1.56 0.00 0.00 55.97 55.19 1wi2 s LYS 23 Cb -0.19 -3.79 0.12 0.00 -1.46 0.00 0.00 37.83 32.51 1wi2 s LYS 23 CO -0.09 -1.02 1.13 -1.25 0.16 0.00 0.00 175.35 174.27 1wi2 s PRO 24 N 3.81 1.40 -0.70 4.03 0.04 -1.26 -4.94 135.00 137.38 1wi2 s PRO 24 Ca 0.45 0.39 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 1wi2 s PRO 24 Cb -0.11 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wi2 s PRO 24 CO 0.20 -2.04 1.58 -1.25 0.04 0.00 0.00 177.00 175.53 1wi2 s PRO 25 N -5.24 2.92 0.00 0.56 0.04 -1.26 -2.58 135.00 129.44 1wi2 s PRO 25 Ca 0.63 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1wi2 s PRO 25 Cb -0.15 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1wi2 s PRO 25 CO 0.54 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1wi2 n GLY 26 N 5.63 1.95 0.00 0.56 0.00 -1.26 -5.13 105.19 106.94 1wi2 n GLY 26 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.52 0.00 -2.43 4.61 0.00 -1.06 -5.17 120.51 115.94 1wi2 n ALA 27 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1wi2 n ALA 27 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1wi2 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wi2 s GLN 28 N -1.86 0.92 0.00 0.00 -0.21 -1.26 -4.97 119.66 112.28 1wi2 s GLN 28 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.19 1wi2 s GLN 28 Cb 0.00 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.32 1wi2 s GLN 28 CO 0.00 -0.29 0.49 -0.11 -2.12 0.00 0.00 175.29 173.26 1wi2 n LEU 29 N -0.09 0.00 0.00 2.90 7.94 -1.26 -4.89 117.00 121.60 1wi2 n LEU 29 Ca -0.10 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 1wi2 n LEU 29 Cb 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1wi2 n LEU 29 CO 0.26 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 1wi2 n GLY 30 N -0.99 1.25 3.48 -3.96 0.00 -1.26 -4.76 105.19 98.96 1wi2 n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.49 -0.02 1.61 -0.71 -1.26 0.17 117.98 115.28 1wi2 s PHE 31 Ca 0.00 0.50 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 1wi2 s PHE 31 Cb 0.00 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1wi2 s PHE 31 CO 0.00 -0.65 0.00 -0.80 -1.34 0.00 0.00 175.22 172.43 1wi2 s ASN 32 N -2.16 5.13 0.04 1.98 0.01 0.38 -4.92 114.94 115.40 1wi2 s ASN 32 Ca -0.01 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 1wi2 s ASN 32 Cb -0.01 -1.36 -0.04 0.00 0.41 0.00 0.00 41.25 40.26 1wi2 s ASN 32 CO -0.05 0.30 0.01 0.27 -1.51 0.00 0.00 177.10 176.11 1wi2 s ILE 33 N -1.05 4.15 0.31 0.60 -5.25 -1.26 0.49 121.20 119.19 1wi2 s ILE 33 Ca 0.18 -0.77 0.06 0.00 -0.99 0.00 0.00 60.65 59.13 1wi2 s ILE 33 Cb -0.11 -2.92 -0.03 0.00 2.95 0.00 0.00 42.46 42.35 1wi2 s ILE 33 CO 0.09 0.25 0.26 0.00 -1.79 0.00 0.00 174.94 173.74 1wi2 s ARG 34 N -1.95 1.68 0.32 0.37 1.70 -0.67 -4.72 118.95 115.69 1wi2 s ARG 34 Ca 0.23 -1.96 0.00 0.00 -0.47 0.00 0.00 55.73 53.53 1wi2 s ARG 34 Cb -0.12 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1wi2 s ARG 34 CO 0.15 -0.61 0.00 0.41 -1.08 0.00 0.00 175.30 174.17 1wi2 n GLY 35 N -0.57 -1.81 2.98 3.88 0.00 -1.26 -1.86 105.19 106.56 1wi2 n GLY 35 Ca 0.07 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1wi2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi2 n GLY 36 N 0.00 0.06 0.08 -0.02 0.00 -0.51 -4.37 105.19 100.43 1wi2 n GLY 36 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.72 0.49 0.10 1.61 3.00 -1.26 -2.84 118.16 119.98 1wi2 n LYS 37 Ca -0.03 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1wi2 n LYS 37 Cb 0.50 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.87 1wi2 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wi2 n ALA 38 N -3.75 0.68 -0.92 3.14 0.00 -1.26 -4.83 120.51 113.57 1wi2 n ALA 38 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1wi2 n ALA 38 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.95 0.00 0.00 0.00 2.88 -1.26 -4.91 113.62 107.38 1wi2 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 0.00 0.00 0.00 -1.46 1.13 -1.26 -5.08 117.38 110.71 1wi2 n GLN 40 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1wi2 n GLN 40 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1wi2 n GLN 40 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1wi2 n LEU 41 N -2.49 0.00 -4.18 1.08 7.94 -1.26 -4.39 117.00 113.70 1wi2 n LEU 41 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1wi2 n LEU 41 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1wi2 n LEU 41 CO 0.00 -0.06 -0.11 -0.83 -1.11 0.00 0.00 177.39 175.28 1wi2 s GLY 42 N -0.37 1.56 -0.12 -3.96 0.00 -1.26 -4.52 107.32 98.66 1wi2 s GLY 42 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 44.72 42.99 1wi2 s GLY 42 CO 0.00 -1.27 0.11 -0.42 0.00 0.00 0.00 173.10 171.51 1wi2 s ILE 43 N -3.82 5.22 0.09 0.90 -1.09 -1.26 -1.43 121.20 119.81 1wi2 s ILE 43 Ca 0.36 0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.82 1wi2 s ILE 43 Cb 0.04 -3.26 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 1wi2 s ILE 43 CO 0.17 0.61 0.15 -0.36 -1.23 0.00 0.00 174.94 174.28 1wi2 s PHE 44 N -0.93 0.30 -0.57 3.97 0.40 -0.78 -1.12 117.98 119.26 1wi2 s PHE 44 Ca 0.14 -0.74 -0.27 0.00 -0.60 0.00 0.00 56.93 55.46 1wi2 s PHE 44 Cb -0.12 -0.15 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1wi2 s PHE 44 CO 0.03 -0.53 1.70 0.42 0.70 0.00 0.00 175.22 177.54 1wi2 s ILE 45 N -3.90 3.50 0.02 0.64 -1.09 -0.93 -1.66 121.20 117.79 1wi2 s ILE 45 Ca 0.08 0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.60 1wi2 s ILE 45 Cb 0.05 -4.09 -0.16 0.00 -1.58 0.00 0.00 42.46 36.68 1wi2 s ILE 45 CO -0.08 -0.97 1.23 0.77 -1.23 0.00 0.00 174.94 174.65 1wi2 h SER 46 N 13.33 -0.76 -5.07 3.58 4.64 -0.25 -2.84 113.55 126.19 1wi2 h SER 46 Ca -0.27 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1wi2 h SER 46 Cb 1.14 0.20 -0.18 0.00 -0.31 0.00 0.00 62.40 63.25 1wi2 h SER 46 CO 1.18 -0.41 -0.42 -0.75 -0.87 0.00 0.00 176.83 175.57 1wi2 s LYS 47 N -4.94 0.66 -0.01 4.77 2.36 -0.69 -4.81 119.74 117.08 1wi2 s LYS 47 Ca -0.15 -0.63 0.03 0.00 -2.55 0.00 0.00 55.97 52.67 1wi2 s LYS 47 Cb 0.02 0.27 -0.00 0.00 -1.05 0.00 0.00 37.83 37.06 1wi2 s LYS 47 CO 0.48 -0.18 -0.10 0.08 1.55 0.00 0.00 175.35 177.18 1wi2 s VAL 48 N -2.47 0.78 0.05 4.02 1.01 -1.26 0.14 120.40 122.67 1wi2 s VAL 48 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1wi2 s VAL 48 Cb -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 1wi2 s VAL 48 CO -0.03 0.23 1.59 -0.63 0.00 0.00 0.00 175.10 176.25 1wi2 s ILE 49 N -0.06 3.23 -0.81 2.22 -1.09 0.44 -4.86 121.20 120.27 1wi2 s ILE 49 Ca 0.01 0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1wi2 s ILE 49 Cb -0.06 -3.42 -0.11 0.00 -1.58 0.00 0.00 42.46 37.29 1wi2 s ILE 49 CO -0.00 -0.00 2.60 -0.81 -1.23 0.00 0.00 174.94 175.49 1wi2 n PRO 50 N 5.61 2.34 0.00 2.79 -0.04 -1.26 -2.75 135.00 141.69 1wi2 n PRO 50 Ca 0.15 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1wi2 n PRO 50 Cb 0.41 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.50 0.00 -2.39 3.54 5.68 -1.26 -5.15 116.55 120.48 1wi2 n ASP 51 Ca 0.50 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.71 1wi2 n ASP 51 Cb 0.34 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1wi2 n ASP 51 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wi2 n SER 52 N 0.00 1.46 0.09 -1.12 3.41 -1.11 -5.04 113.62 111.30 1wi2 n SER 52 Ca 0.00 -1.66 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1wi2 n SER 52 Cb 0.00 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.46 0.39 -0.18 4.04 5.19 -1.89 -3.12 116.42 121.30 1wi2 h ASP 53 Ca -0.11 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1wi2 h ASP 53 Cb 0.37 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1wi2 h ASP 53 CO 0.17 1.20 0.08 0.00 -3.12 0.00 0.00 179.24 177.58 1wi2 h ALA 54 N 0.76 0.23 -0.91 3.45 0.00 -1.88 1.50 119.26 122.40 1wi2 h ALA 54 Ca -0.09 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1wi2 h ALA 54 Cb 1.71 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1wi2 h ALA 54 CO 0.17 -0.21 0.52 1.25 0.00 0.00 0.00 179.25 180.98 1wi2 h HIS 55 N 0.16 0.93 0.07 0.00 2.76 -1.76 -0.11 115.15 117.20 1wi2 h HIS 55 Ca 0.06 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 1wi2 h HIS 55 Cb 0.12 -0.28 0.02 0.00 1.55 0.00 0.00 27.41 28.82 1wi2 h HIS 55 CO -0.03 0.28 -0.75 0.00 -1.30 0.00 0.00 177.93 176.14 1wi2 h ARG 56 N 0.77 0.39 -1.44 5.26 3.08 -1.36 -3.19 114.38 117.88 1wi2 h ARG 56 Ca 0.48 -0.51 0.42 0.00 0.07 0.00 0.00 59.98 60.44 1wi2 h ARG 56 Cb 0.62 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1wi2 h ARG 56 CO -0.33 1.19 1.04 0.00 -1.07 0.00 0.00 179.97 180.81 1wi2 h ALA 57 N 0.22 3.37 0.00 0.04 0.00 0.31 -3.43 119.26 119.77 1wi2 h ALA 57 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wi2 h ALA 57 Cb 1.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1wi2 h ALA 57 CO 0.14 -1.79 0.00 0.41 0.00 0.00 0.00 179.25 178.02 1wi2 n GLY 58 N -1.82 1.87 3.79 0.00 0.00 -0.68 -4.94 105.19 103.41 1wi2 n GLY 58 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 4.39 -0.01 0.99 1.43 -0.15 -5.03 118.68 120.30 1wi2 s LEU 59 Ca 0.00 1.66 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1wi2 s LEU 59 Cb 0.00 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.48 1wi2 s LEU 59 CO 0.00 0.02 0.08 0.00 0.23 0.00 0.00 176.35 176.68 1wi2 s GLN 60 N -1.86 0.32 -0.44 1.70 -2.07 -1.26 -4.61 119.66 111.44 1wi2 s GLN 60 Ca 0.45 -0.28 -0.27 0.00 -1.82 0.00 0.00 55.36 53.44 1wi2 s GLN 60 Cb -0.19 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 1wi2 s GLN 60 CO 0.23 -0.06 2.17 -1.21 -1.32 0.00 0.00 175.29 175.11 1wi2 s GLU 61 N -0.94 2.59 0.00 9.60 2.02 -1.26 -2.48 118.70 128.23 1wi2 s GLU 61 Ca -0.10 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1wi2 s GLU 61 Cb -0.06 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.72 1wi2 s GLU 61 CO 0.00 -2.73 0.00 0.41 0.02 0.00 0.00 175.26 172.97 1wi2 n GLY 62 N 5.81 1.41 3.38 -1.39 0.00 -1.07 -5.02 105.19 108.31 1wi2 n GLY 62 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 4.89 0.04 1.61 1.01 -1.04 -4.57 116.67 116.62 1wi2 s ASP 63 Ca 0.00 -0.38 -0.31 0.00 0.71 0.00 0.00 52.55 52.57 1wi2 s ASP 63 Cb 0.00 -1.86 -0.06 0.00 1.01 0.00 0.00 42.92 42.01 1wi2 s ASP 63 CO 0.00 -0.07 1.36 -1.58 0.21 0.00 0.00 175.17 175.09 1wi2 s GLN 64 N 1.55 4.32 -0.62 8.23 0.74 -1.26 -2.18 119.66 130.44 1wi2 s GLN 64 Ca 0.05 1.96 -0.17 0.00 0.05 0.00 0.00 55.36 57.25 1wi2 s GLN 64 Cb -0.15 -3.44 0.13 0.00 1.10 0.00 0.00 33.01 30.65 1wi2 s GLN 64 CO 0.01 -0.48 0.66 0.08 -0.55 0.00 0.00 175.29 175.02 1wi2 s VAL 65 N 1.78 5.06 0.03 1.34 1.01 -0.28 -2.81 120.40 126.53 1wi2 s VAL 65 Ca 0.63 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1wi2 s VAL 65 Cb -0.33 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.52 1wi2 s VAL 65 CO 0.28 -1.04 1.26 -0.07 0.00 0.00 0.00 175.10 175.52 1wi2 h LEU 66 N 9.32 -0.58 -8.20 3.92 3.38 0.57 -3.37 115.31 120.35 1wi2 h LEU 66 Ca -0.22 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 1wi2 h LEU 66 Cb 1.08 0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1wi2 h LEU 66 CO 1.03 -0.34 -0.71 0.00 0.09 0.00 0.00 178.44 178.52 1wi2 s ALA 67 N -4.40 0.54 -0.14 1.53 0.00 -1.19 -2.39 121.76 115.71 1wi2 s ALA 67 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1wi2 s ALA 67 Cb 0.01 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wi2 s ALA 67 CO 0.27 -0.18 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1wi2 s VAL 68 N -2.44 1.39 -1.84 0.00 1.01 0.60 0.13 120.40 119.24 1wi2 s VAL 68 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1wi2 s VAL 68 Cb -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1wi2 s VAL 68 CO -0.03 0.42 0.00 0.59 0.00 0.00 0.00 175.10 176.07 1wi2 n ASN 69 N 4.83 -5.79 -0.20 3.32 3.02 -0.69 0.12 115.26 119.87 1wi2 n ASN 69 Ca -0.15 0.08 -0.02 0.00 -0.03 0.00 0.00 54.58 54.46 1wi2 n ASN 69 Cb 0.50 -4.87 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 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 -1.89 -2.63 -4.30 6.41 2.03 -1.26 -5.02 116.55 109.89 1wi2 n ASP 70 Ca -0.24 0.03 -0.34 0.00 0.52 0.00 0.00 54.79 54.76 1wi2 n ASP 70 Cb 0.68 -0.97 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 1wi2 n ASP 70 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wi2 s VAL 71 N -2.09 3.10 -0.24 5.18 1.01 0.12 -5.05 120.40 122.42 1wi2 s VAL 71 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 1wi2 s VAL 71 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 1wi2 s VAL 71 CO 0.00 0.47 2.18 0.47 0.00 0.00 0.00 175.10 178.22 1wi2 n ASP 72 N 4.40 2.93 -0.03 3.32 8.00 -1.26 -0.29 116.55 133.62 1wi2 n ASP 72 Ca -0.19 0.36 0.01 0.00 0.71 0.00 0.00 54.79 55.69 1wi2 n ASP 72 Cb 0.51 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.03 1wi2 n ASP 72 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wi2 n PHE 73 N 10.55 0.23 -0.58 1.24 3.01 -1.00 -4.28 117.46 126.62 1wi2 n PHE 73 Ca 0.33 0.07 0.47 0.00 1.01 0.00 0.00 57.45 59.33 1wi2 n PHE 73 Cb 0.36 -0.81 0.73 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.00 0.00 -2.15 -1.08 4.20 -1.68 -1.06 115.11 113.34 1wi2 h GLN 74 Ca -0.23 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.91 1wi2 h GLN 74 Cb 1.56 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.95 1wi2 h GLN 74 CO 0.02 0.00 -1.03 -0.25 -0.67 0.00 0.00 178.83 176.90 1wi2 n ASP 75 N -3.78 0.25 -4.19 1.46 8.00 -1.26 -4.18 116.55 112.85 1wi2 n ASP 75 Ca 0.39 -2.65 -0.11 0.00 0.71 0.00 0.00 54.79 53.13 1wi2 n ASP 75 Cb 1.88 -0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.89 0.57 0.08 0.53 2.07 -0.40 -5.04 121.20 118.12 1wi2 s ILE 76 Ca 0.34 -1.94 -0.18 0.00 -1.41 0.00 0.00 60.65 57.46 1wi2 s ILE 76 Cb 0.12 -1.87 -0.07 0.00 0.13 0.00 0.00 42.46 40.78 1wi2 s ILE 76 CO -0.13 -0.69 0.56 -1.61 -1.91 0.00 0.00 174.94 171.15 1wi2 s GLU 77 N -3.90 4.15 0.12 3.50 0.41 -1.26 -4.56 118.70 117.16 1wi2 s GLU 77 Ca 0.17 0.68 -0.33 0.00 -0.41 0.00 0.00 54.97 55.08 1wi2 s GLU 77 Cb 0.06 -3.19 -0.11 0.00 -1.78 0.00 0.00 34.13 29.12 1wi2 s GLU 77 CO -0.01 0.62 1.56 1.25 -0.49 0.00 0.00 175.26 178.18 1wi2 h HIS 78 N 4.39 -1.59 -0.72 1.61 -0.00 -1.72 0.75 115.15 117.87 1wi2 h HIS 78 Ca -0.50 0.07 0.16 0.00 -0.00 0.00 0.00 60.37 60.10 1wi2 h HIS 78 Cb 1.21 0.72 -0.12 0.00 -0.00 0.00 0.00 27.41 29.22 1wi2 h HIS 78 CO 0.68 -0.52 -0.00 1.03 -0.00 0.00 0.00 177.93 179.11 1wi2 h SER 79 N -0.51 -0.34 -0.37 3.26 0.87 -1.94 0.47 113.55 114.99 1wi2 h SER 79 Ca 0.05 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1wi2 h SER 79 Cb 0.65 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1wi2 h SER 79 CO -0.49 -0.16 0.24 0.50 -0.53 0.00 0.00 176.83 176.39 1wi2 h LYS 80 N 0.10 0.49 0.01 2.24 3.64 -1.38 0.14 116.57 121.80 1wi2 h LYS 80 Ca 0.39 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1wi2 h LYS 80 Cb 0.66 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1wi2 h LYS 80 CO -0.63 0.33 -0.19 0.00 -2.27 0.00 0.00 179.45 176.69 1wi2 h ALA 81 N 1.12 -0.25 -0.31 5.00 0.00 0.41 0.93 119.26 126.17 1wi2 h ALA 81 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1wi2 h ALA 81 Cb -0.04 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1wi2 h ALA 81 CO -0.03 -0.69 -0.02 0.28 0.00 0.00 0.00 179.25 178.80 1wi2 h VAL 82 N -0.32 0.76 0.67 0.00 2.07 0.07 -0.16 116.25 119.34 1wi2 h VAL 82 Ca 0.06 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1wi2 h VAL 82 Cb 0.39 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1wi2 h VAL 82 CO -0.18 0.01 -0.37 -0.33 0.02 0.00 0.00 177.57 176.73 1wi2 h GLU 83 N 0.07 -0.93 -0.88 1.57 5.08 -0.02 -0.83 114.58 118.64 1wi2 h GLU 83 Ca 0.15 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1wi2 h GLU 83 Cb 0.21 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1wi2 h GLU 83 CO -0.26 -0.62 -0.52 -0.89 -1.00 0.00 0.00 179.01 175.72 1wi2 n ILE 84 N -4.75 -0.60 -0.13 3.13 5.41 0.32 0.40 119.36 123.14 1wi2 n ILE 84 Ca -0.12 2.30 -0.12 0.00 1.00 0.00 0.00 62.75 65.82 1wi2 n ILE 84 Cb 0.39 -2.86 -0.09 0.00 -0.71 0.00 0.00 39.64 36.37 1wi2 n ILE 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1wi2 h LEU 85 N 0.00 -1.63 0.00 1.39 3.38 -0.96 0.75 115.31 118.24 1wi2 h LEU 85 Ca 0.14 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1wi2 h LEU 85 Cb 0.36 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wi2 h LEU 85 CO -0.83 -0.34 0.00 0.29 0.09 0.00 0.00 178.44 177.65 1wi2 n LYS 86 N -5.02 0.00 -0.24 1.13 5.02 0.31 -2.57 118.16 116.79 1wi2 n LYS 86 Ca -0.03 0.65 -0.06 0.00 -2.02 0.00 0.00 58.31 56.85 1wi2 n LYS 86 Cb 0.29 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.05 -0.39 -1.38 -0.18 -2.24 0.16 -4.19 114.28 104.01 1wi2 n THR 87 Ca 0.00 1.92 -0.51 0.00 -2.27 0.00 0.00 64.05 63.19 1wi2 n THR 87 Cb 0.00 -2.42 -0.12 0.00 -2.10 0.00 0.00 70.33 65.69 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 -3.16 0.41 -0.33 6.98 0.00 0.26 -4.73 120.51 119.94 1wi2 n ALA 88 Ca 0.01 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1wi2 n ALA 88 Cb 0.15 -2.28 0.34 0.00 0.00 0.00 0.00 19.45 17.65 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 11.13 0.75 -4.96 0.00 0.11 -1.81 -3.38 114.38 116.22 1wi2 h ARG 89 Ca -0.12 -0.04 -0.62 0.00 0.10 0.00 0.00 59.98 59.30 1wi2 h ARG 89 Cb 1.36 -0.17 -0.34 0.00 1.11 0.00 0.00 29.97 31.93 1wi2 h ARG 89 CO 1.18 0.49 -0.85 -1.83 0.10 0.00 0.00 179.97 179.07 1wi2 s GLU 90 N -5.79 2.52 -0.16 0.08 -1.05 -1.26 -3.97 118.70 109.06 1wi2 s GLU 90 Ca -0.11 -0.68 -0.23 0.00 -0.15 0.00 0.00 54.97 53.80 1wi2 s GLU 90 Cb 0.23 -2.04 -0.02 0.00 -0.44 0.00 0.00 34.13 31.86 1wi2 s GLU 90 CO 0.80 0.02 0.74 0.42 0.95 0.00 0.00 175.26 178.19 1wi2 s ILE 91 N 0.76 4.95 -0.42 1.83 1.01 -1.03 -4.90 121.20 123.39 1wi2 s ILE 91 Ca -0.11 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.06 1wi2 s ILE 91 Cb -0.16 -4.05 0.24 0.00 0.01 0.00 0.00 42.46 38.50 1wi2 s ILE 91 CO 0.01 0.09 0.62 -1.20 0.00 0.00 0.00 174.94 174.46 1wi2 n SER 92 N 4.96 -0.84 -4.99 3.58 7.64 -1.26 -0.04 113.62 122.67 1wi2 n SER 92 Ca 0.02 -2.85 -0.19 0.00 1.01 0.00 0.00 58.87 56.85 1wi2 n SER 92 Cb 0.49 0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.52 2.95 -0.23 1.43 0.23 -1.20 -1.70 119.30 120.26 1wi2 s MET 93 Ca 0.34 -0.96 -0.04 0.00 -1.03 0.00 0.00 55.69 53.99 1wi2 s MET 93 Cb 0.18 -2.72 -0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1wi2 s MET 93 CO -0.15 -0.18 -0.03 0.50 -2.03 0.00 0.00 175.02 173.12 1wi2 s ARG 94 N -4.36 3.31 0.36 3.16 3.52 0.34 -1.39 118.95 123.90 1wi2 s ARG 94 Ca 0.50 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1wi2 s ARG 94 Cb -0.10 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.19 1wi2 s ARG 94 CO 0.34 -0.24 0.05 0.14 -0.81 0.00 0.00 175.30 174.78 1wi2 s VAL 95 N 1.47 2.49 -0.28 7.11 -7.23 -0.72 0.12 120.40 123.36 1wi2 s VAL 95 Ca 0.05 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.15 1wi2 s VAL 95 Cb -0.15 -2.87 0.11 0.00 0.56 0.00 0.00 36.38 34.03 1wi2 s VAL 95 CO -0.03 -0.13 0.82 -0.60 -0.31 0.00 0.00 175.10 174.85 1wi2 s ARG 96 N -3.76 0.56 -0.32 4.82 3.52 -1.12 -2.15 118.95 120.50 1wi2 s ARG 96 Ca 0.36 0.96 -0.38 0.00 -0.13 0.00 0.00 55.73 56.54 1wi2 s ARG 96 Cb 0.02 0.12 -0.14 0.00 -1.56 0.00 0.00 34.95 33.39 1wi2 s ARG 96 CO 0.20 -0.12 1.95 1.97 -0.81 0.00 0.00 175.30 178.50 1wi2 n PHE 97 N 3.97 1.82 -2.80 5.12 -1.74 -1.26 -4.00 117.46 118.58 1wi2 n PHE 97 Ca -0.19 0.44 -0.35 0.00 -0.56 0.00 0.00 57.45 56.79 1wi2 n PHE 97 Cb 0.58 -2.48 -0.01 0.00 1.52 0.00 0.00 39.48 39.09 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 7.27 3.33 0.00 2.97 7.35 -1.26 -4.42 117.46 132.69 1wi2 n PHE 98 Ca 0.34 -3.21 0.00 0.00 -0.76 0.00 0.00 57.45 53.82 1wi2 n PHE 98 Cb 0.16 -0.88 0.00 0.00 0.35 0.00 0.00 39.48 39.10 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 -0.08 0.00 0.00 -2.13 2.88 -1.26 -5.02 113.62 108.01 1wi2 n SER 99 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1wi2 n SER 99 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1wi2 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi2 n GLY 100 N 0.00 0.62 3.78 0.46 0.00 -1.26 -5.11 105.19 103.68 1wi2 n GLY 100 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.98 0.97 -0.26 1.61 0.04 -1.26 -4.87 135.00 129.25 1wi2 s PRO 101 Ca 0.00 0.23 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 1wi2 s PRO 101 Cb 0.00 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.80 1wi2 s PRO 101 CO 0.00 -2.30 0.61 -1.54 0.04 0.00 0.00 177.00 173.81 1wi2 s SER 102 N -4.07 -0.85 0.11 6.66 1.04 -1.26 -5.13 113.70 110.19 1wi2 s SER 102 Ca 0.65 1.37 -0.26 0.00 0.48 0.00 0.00 55.95 58.19 1wi2 s SER 102 Cb -0.14 1.36 0.08 0.00 0.10 0.00 0.00 66.02 67.42 1wi2 s SER 102 CO 0.53 -0.23 0.99 -0.44 0.98 0.00 0.00 173.24 175.08 1wi2 s SER 103 N 1.78 -0.19 0.00 7.02 0.01 -1.26 -5.29 113.70 115.78 1wi2 s SER 103 Ca -0.09 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wi2 s SER 103 Cb -0.07 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wi2 s SER 103 CO -0.18 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.30