#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi0 n SER 2 N 0.00 -0.37 -0.01 1.61 7.64 -1.26 -4.92 113.62 116.30 1wi0 n SER 2 Ca 0.00 0.43 -0.14 0.00 1.01 0.00 0.00 58.87 60.17 1wi0 n SER 2 Cb 0.00 0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 1wi0 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wi0 h SER 3 N 0.00 -1.58 -1.49 6.43 0.87 -2.12 -3.40 113.55 112.25 1wi0 h SER 3 Ca 0.00 0.20 -0.74 0.00 -1.23 0.00 0.00 61.79 60.02 1wi0 h SER 3 Cb 0.00 0.63 0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1wi0 h SER 3 CO 0.00 -0.46 0.71 0.61 -0.53 0.00 0.00 176.83 177.16 1wi0 n GLY 4 N -1.44 0.62 2.02 5.77 0.00 -1.26 -4.74 105.19 106.16 1wi0 n GLY 4 Ca -0.05 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1wi0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi0 n SER 5 N 4.24 -0.54 -4.77 1.61 2.88 -1.26 -5.07 113.62 110.72 1wi0 n SER 5 Ca 0.24 0.43 -0.37 0.00 -1.33 0.00 0.00 58.87 57.84 1wi0 n SER 5 Cb 0.12 0.68 -0.00 0.00 -0.75 0.00 0.00 64.21 64.26 1wi0 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi0 s SER 6 N -4.64 6.01 0.00 -3.46 1.04 -1.26 -5.02 113.70 106.37 1wi0 s SER 6 Ca 0.00 2.39 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1wi0 s SER 6 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1wi0 s SER 6 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1wi0 n GLY 7 N 0.50 1.35 3.72 7.32 0.00 -1.26 -5.14 105.19 111.68 1wi0 n GLY 7 Ca 0.08 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1wi0 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi0 s PRO 8 N -2.00 4.48 -0.22 1.61 0.04 -1.26 -5.01 135.00 132.64 1wi0 s PRO 8 Ca 0.00 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1wi0 s PRO 8 Cb 0.00 -3.34 0.14 0.00 0.04 0.00 0.00 34.50 31.34 1wi0 s PRO 8 CO 0.00 -0.15 1.08 0.12 0.04 0.00 0.00 177.00 178.08 1wi0 s PHE 9 N 0.71 -0.35 0.00 0.56 5.36 -1.26 -5.00 117.98 118.01 1wi0 s PHE 9 Ca 0.56 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1wi0 s PHE 9 Cb -0.29 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 1wi0 s PHE 9 CO 0.31 -0.25 0.00 0.00 -1.46 0.00 0.00 175.22 173.81 1wi0 n ALA 11 N 0.00 -2.25 -3.68 0.00 0.00 -1.26 -5.09 120.51 108.23 1wi0 n ALA 11 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 1wi0 n ALA 11 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 1wi0 n ALA 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wi0 s MET 12 N -1.15 1.38 -0.28 0.00 -1.94 -1.26 -5.15 119.30 110.91 1wi0 s MET 12 Ca 0.00 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.28 1wi0 s MET 12 Cb 0.00 0.52 0.17 0.00 2.01 0.00 0.00 34.83 37.53 1wi0 s MET 12 CO 0.00 -0.62 0.50 -1.83 -0.01 0.00 0.00 175.02 173.06 1wi0 s GLU 13 N -3.60 0.48 0.14 2.03 -1.05 -1.26 -5.00 118.70 110.43 1wi0 s GLU 13 Ca 0.08 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 1wi0 s GLU 13 Cb -0.03 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1wi0 s GLU 13 CO -0.01 -0.65 0.00 -1.71 0.95 0.00 0.00 175.26 173.84 1wi0 n ASN 14 N 5.40 -1.22 -3.95 0.83 5.15 -1.26 -5.16 115.26 115.06 1wi0 n ASN 14 Ca -0.02 0.56 -0.15 0.00 -0.60 0.00 0.00 54.58 54.38 1wi0 n ASN 14 Cb 0.51 1.44 -0.09 0.00 -0.53 0.00 0.00 39.78 41.11 1wi0 n ASN 14 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wi0 s GLN 15 N -2.00 1.38 0.17 1.20 -2.07 -1.26 -5.18 119.66 111.91 1wi0 s GLN 15 Ca 0.00 -1.76 -0.04 0.00 -1.82 0.00 0.00 55.36 51.74 1wi0 s GLN 15 Cb 0.00 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 1wi0 s GLN 15 CO 0.00 -0.47 0.30 1.33 -1.32 0.00 0.00 175.29 175.13 1wi0 n VAL 16 N -0.39 0.00 -3.83 3.63 0.24 -1.26 -5.05 118.33 111.67 1wi0 n VAL 16 Ca 0.04 -0.63 -0.35 0.00 -2.04 0.00 0.00 64.34 61.36 1wi0 n VAL 16 Cb 0.65 0.48 -0.08 0.00 -1.47 0.00 0.00 33.84 33.41 1wi0 n VAL 16 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1wi0 s LEU 17 N 0.00 4.09 -0.23 1.34 2.96 0.25 -5.00 118.68 122.10 1wi0 s LEU 17 Ca 0.10 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1wi0 s LEU 17 Cb -0.01 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.68 1wi0 s LEU 17 CO 0.07 0.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.51 1wi0 s VAL 18 N 0.30 1.80 -0.40 1.68 1.01 -1.26 0.30 120.40 123.81 1wi0 s VAL 18 Ca 0.07 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 1wi0 s VAL 18 Cb -0.11 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1wi0 s VAL 18 CO -0.01 0.05 0.54 -0.63 0.00 0.00 0.00 175.10 175.05 1wi0 s ILE 19 N 1.30 4.97 -0.59 2.22 1.01 -0.98 0.22 121.20 129.35 1wi0 s ILE 19 Ca -0.05 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 1wi0 s ILE 19 Cb -0.18 -4.08 0.07 0.00 0.01 0.00 0.00 42.46 38.28 1wi0 s ILE 19 CO -0.07 -0.42 0.84 -0.60 0.00 0.00 0.00 174.94 174.69 1wi0 s ARG 20 N 2.47 3.16 -0.23 2.79 3.52 -0.17 0.28 118.95 130.77 1wi0 s ARG 20 Ca 0.18 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 1wi0 s ARG 20 Cb -0.15 -4.16 0.01 0.00 -1.56 0.00 0.00 34.95 29.08 1wi0 s ARG 20 CO 0.15 -1.56 1.00 0.42 -0.81 0.00 0.00 175.30 174.51 1wi0 s ILE 21 N 3.49 4.71 -0.54 4.11 1.09 0.11 -0.16 121.20 134.02 1wi0 s ILE 21 Ca 0.21 1.94 -0.27 0.00 -1.10 0.00 0.00 60.65 61.43 1wi0 s ILE 21 Cb -0.18 -4.27 -0.02 0.00 -1.06 0.00 0.00 42.46 36.93 1wi0 s ILE 21 CO 0.12 -0.15 1.84 -0.75 -0.10 0.00 0.00 174.94 175.90 1wi0 s LYS 22 N 3.09 2.81 0.27 2.79 2.47 0.07 -1.70 119.74 129.54 1wi0 s LYS 22 Ca 0.42 0.82 -0.29 0.00 -1.56 0.00 0.00 55.97 55.37 1wi0 s LYS 22 Cb -0.15 -4.34 -0.09 0.00 -1.46 0.00 0.00 37.83 31.79 1wi0 s LYS 22 CO 0.07 -2.50 0.98 0.42 0.16 0.00 0.00 175.35 174.47 1wi0 s ILE 23 N 8.52 3.96 -0.36 5.43 -1.09 -0.47 -4.61 121.20 132.57 1wi0 s ILE 23 Ca 0.70 1.89 -0.29 0.00 -2.23 0.00 0.00 60.65 60.72 1wi0 s ILE 23 Cb -0.15 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1wi0 s ILE 23 CO 0.24 0.38 1.38 -2.16 -1.23 0.00 0.00 174.94 173.56 1wi0 s PRO 24 N -1.45 3.70 -1.23 2.79 0.04 -1.26 -3.64 135.00 133.95 1wi0 s PRO 24 Ca 0.44 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 1wi0 s PRO 24 Cb -0.26 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.31 1wi0 s PRO 24 CO 0.32 -1.40 0.67 0.09 0.04 0.00 0.00 177.00 176.72 1wi0 n ASN 25 N 8.38 -3.60 -2.05 6.66 4.13 -1.26 -4.85 115.26 122.68 1wi0 n ASN 25 Ca 0.16 -1.03 -0.02 0.00 1.68 0.00 0.00 54.58 55.37 1wi0 n ASN 25 Cb 0.47 -3.15 0.01 0.00 -1.54 0.00 0.00 39.78 35.58 1wi0 n ASN 25 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wi0 n SER 26 N -2.73 -0.59 0.00 6.41 7.64 -1.24 -5.13 113.62 117.98 1wi0 n SER 26 Ca -0.17 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1wi0 n SER 26 Cb 0.62 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1wi0 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 27 N -0.37 3.34 3.43 0.23 0.00 -1.26 -4.68 105.19 105.88 1wi0 n GLY 27 Ca -0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1wi0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wi0 s ALA 28 N -1.86 -0.91 -0.07 4.61 0.00 -1.26 -1.37 121.76 120.90 1wi0 s ALA 28 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1wi0 s ALA 28 Cb 0.00 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1wi0 s ALA 28 CO 0.00 -0.73 -0.18 0.08 0.00 0.00 0.00 175.76 174.93 1wi0 s VAL 29 N -3.85 1.55 -0.35 0.00 1.01 -0.69 -4.90 120.40 113.18 1wi0 s VAL 29 Ca 0.07 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1wi0 s VAL 29 Cb 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1wi0 s VAL 29 CO -0.07 0.45 0.44 -1.81 0.00 0.00 0.00 175.10 174.11 1wi0 s ASP 30 N 0.35 6.25 -0.45 3.32 1.11 -1.26 0.10 116.67 126.09 1wi0 s ASP 30 Ca -0.12 -0.17 -0.25 0.00 0.18 0.00 0.00 52.55 52.18 1wi0 s ASP 30 Cb -0.15 -2.23 0.03 0.00 1.07 0.00 0.00 42.92 41.63 1wi0 s ASP 30 CO 0.05 -0.43 0.90 0.86 1.18 0.00 0.00 175.17 177.73 1wi0 s TRP 31 N 2.22 2.95 -0.13 4.23 -0.00 0.14 -4.86 118.94 123.49 1wi0 s TRP 31 Ca 0.15 0.39 -0.29 0.00 -0.00 0.00 0.00 56.10 56.35 1wi0 s TRP 31 Cb -0.16 -3.88 -0.06 0.00 -0.00 0.00 0.00 33.47 29.37 1wi0 s TRP 31 CO 0.13 -1.05 1.96 -0.08 -0.00 0.00 0.00 176.95 177.91 1wi0 s THR 32 N 3.65 3.21 -0.12 5.86 -1.32 -1.26 -2.31 115.64 123.35 1wi0 s THR 32 Ca 0.36 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 61.08 1wi0 s THR 32 Cb -0.11 -3.21 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 1wi0 s THR 32 CO 0.25 -0.09 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.73 1wi0 s VAL 33 N 6.14 1.49 -0.09 5.08 1.01 0.15 -4.98 120.40 129.20 1wi0 s VAL 33 Ca 0.88 -0.63 0.13 0.00 0.00 0.00 0.00 61.98 62.37 1wi0 s VAL 33 Cb -0.34 -1.37 -0.19 0.00 0.00 0.00 0.00 36.38 34.48 1wi0 s VAL 33 CO 0.36 0.44 0.15 1.41 0.00 0.00 0.00 175.10 177.46 1wi0 n HIS 34 N 4.32 0.00 -2.47 5.22 8.25 -1.26 0.88 115.22 130.17 1wi0 n HIS 34 Ca -0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 1wi0 n HIS 34 Cb 0.51 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1wi0 n HIS 34 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wi0 n SER 35 N -2.31 7.44 -0.17 0.41 7.64 -1.26 -4.76 113.62 120.61 1wi0 n SER 35 Ca -0.14 -3.50 -0.08 0.00 1.01 0.00 0.00 58.87 56.16 1wi0 n SER 35 Cb 0.72 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1wi0 n SER 35 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wi0 h GLY 36 N 4.78 -0.40 2.00 0.23 0.00 -1.95 0.15 103.07 107.89 1wi0 h GLY 36 Ca 0.56 0.52 -0.07 0.00 0.00 0.00 0.00 47.33 48.34 1wi0 h GLY 36 CO 1.29 -0.18 -0.33 -0.56 0.00 0.00 0.00 176.54 176.76 1wi0 h PRO 37 N -0.25 0.00 -1.25 4.80 0.13 -2.00 -3.14 132.00 130.30 1wi0 h PRO 37 Ca 0.18 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.78 1wi0 h PRO 37 Cb 0.57 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.47 1wi0 h PRO 37 CO -0.64 0.33 0.68 1.04 -0.23 0.00 0.00 178.00 179.18 1wi0 n GLN 38 N -3.34 2.31 -5.14 0.86 1.13 0.38 -4.90 117.38 108.69 1wi0 n GLN 38 Ca 0.01 -2.54 -0.32 0.00 -1.94 0.00 0.00 57.00 52.21 1wi0 n GLN 38 Cb 0.55 -2.00 -0.15 0.00 0.11 0.00 0.00 30.24 28.76 1wi0 n GLN 38 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wi0 s LEU 39 N -2.95 2.32 0.29 1.08 2.96 -0.37 -4.81 118.68 117.18 1wi0 s LEU 39 Ca 0.50 -0.37 0.11 0.00 -0.22 0.00 0.00 54.13 54.15 1wi0 s LEU 39 Cb 0.39 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 1wi0 s LEU 39 CO -0.02 0.33 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.49 1wi0 s LEU 40 N -0.68 2.88 0.10 -0.68 1.43 -1.26 -4.92 118.68 115.55 1wi0 s LEU 40 Ca 0.11 -0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 1wi0 s LEU 40 Cb -0.10 -1.36 -0.11 0.00 0.03 0.00 0.00 46.19 44.65 1wi0 s LEU 40 CO -0.00 -0.03 1.71 0.15 0.23 0.00 0.00 176.35 178.41 1wi0 h PHE 41 N 2.05 -0.16 -0.31 0.29 3.57 -1.90 -2.75 116.94 117.73 1wi0 h PHE 41 Ca -0.42 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.16 1wi0 h PHE 41 Cb 1.25 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1wi0 h PHE 41 CO 0.75 -0.10 -0.18 0.00 -2.23 0.00 0.00 178.31 176.54 1wi0 h ARG 42 N -0.11 -0.14 -0.87 1.11 2.47 -1.96 -0.91 114.38 113.96 1wi0 h ARG 42 Ca 0.03 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 58.92 1wi0 h ARG 42 Cb 0.14 0.03 -0.16 0.00 -1.65 0.00 0.00 29.97 28.34 1wi0 h ARG 42 CO -0.07 -0.09 -0.27 -0.44 0.56 0.00 0.00 179.97 179.66 1wi0 h ASP 43 N -0.14 -0.99 -0.58 7.04 3.32 -1.90 1.83 116.42 124.99 1wi0 h ASP 43 Ca 0.16 0.27 0.09 0.00 0.02 0.00 0.00 57.03 57.57 1wi0 h ASP 43 Cb 0.39 0.60 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1wi0 h ASP 43 CO -0.40 -0.29 0.19 0.58 -1.72 0.00 0.00 179.24 177.60 1wi0 h VAL 44 N -0.02 0.75 -0.20 -1.35 2.07 -0.98 0.75 116.25 117.28 1wi0 h VAL 44 Ca 0.39 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 1wi0 h VAL 44 Cb 0.63 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wi0 h VAL 44 CO -0.90 0.07 -0.31 -0.07 0.02 0.00 0.00 177.57 176.37 1wi0 h LEU 45 N 0.36 0.41 -1.21 2.57 -0.00 0.17 0.54 115.31 118.16 1wi0 h LEU 45 Ca 0.29 -0.15 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1wi0 h LEU 45 Cb 0.37 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1wi0 h LEU 45 CO -0.31 0.71 -0.31 0.44 -0.00 0.00 0.00 178.44 178.96 1wi0 h ASP 46 N 0.35 0.00 0.00 -0.43 3.32 0.50 -1.13 116.42 119.03 1wi0 h ASP 46 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1wi0 h ASP 46 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1wi0 h ASP 46 CO 0.06 0.31 -0.34 0.58 -1.72 0.00 0.00 179.24 178.13 1wi0 h VAL 47 N 0.00 0.12 -1.00 -1.35 2.07 0.12 -3.36 116.25 112.85 1wi0 h VAL 47 Ca -0.00 -1.12 0.28 0.00 0.82 0.00 0.00 66.70 66.68 1wi0 h VAL 47 Cb 0.73 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 30.62 1wi0 h VAL 47 CO 0.04 0.04 0.58 0.40 0.02 0.00 0.00 177.57 178.65 1wi0 h ILE 48 N -1.00 0.42 -0.95 4.57 2.04 0.01 1.09 117.51 123.70 1wi0 h ILE 48 Ca -0.02 -0.16 0.26 0.00 1.00 0.00 0.00 64.86 65.94 1wi0 h ILE 48 Cb 0.38 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1wi0 h ILE 48 CO -0.01 0.08 0.66 1.23 0.00 0.00 0.00 178.15 180.11 1wi0 h GLY 49 N 0.46 0.37 1.80 5.37 0.00 -1.35 1.10 103.07 110.82 1wi0 h GLY 49 Ca 0.69 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.70 1wi0 h GLY 49 CO -0.54 -0.02 -1.14 1.46 0.00 0.00 0.00 176.54 176.30 1wi0 h GLN 50 N 0.15 0.12 -0.03 4.80 4.20 0.11 -2.66 115.11 121.79 1wi0 h GLN 50 Ca 0.48 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 1wi0 h GLN 50 Cb 1.63 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.49 1wi0 h GLN 50 CO -0.09 1.08 -0.45 0.28 -0.67 0.00 0.00 178.83 178.98 1wi0 h VAL 51 N 0.03 1.44 -2.83 -0.54 2.07 0.51 -3.37 116.25 113.56 1wi0 h VAL 51 Ca -0.08 -1.92 -0.61 0.00 0.82 0.00 0.00 66.70 64.91 1wi0 h VAL 51 Cb 1.87 2.49 -0.42 0.00 -1.52 0.00 0.00 31.29 33.71 1wi0 h VAL 51 CO 0.16 0.55 -0.60 0.18 0.02 0.00 0.00 177.57 177.89 1wi0 n LEU 52 N -4.32 3.06 0.25 2.57 4.32 0.32 -4.87 117.00 118.33 1wi0 n LEU 52 Ca -0.09 -5.24 0.15 0.00 -0.02 0.00 0.00 56.01 50.81 1wi0 n LEU 52 Cb 0.59 -0.68 0.44 0.00 -1.62 0.00 0.00 43.42 42.15 1wi0 n LEU 52 CO 0.44 1.84 0.90 1.55 -1.22 0.00 0.00 177.39 180.90 1wi0 h PRO 53 N 5.08 0.00 -0.01 3.23 0.13 -1.65 -2.73 132.00 136.06 1wi0 h PRO 53 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1wi0 h PRO 53 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wi0 h PRO 53 CO 0.73 0.00 -0.54 -1.91 -0.23 0.00 0.00 178.00 176.06 1wi0 n GLU 54 N -3.08 0.77 -3.35 0.86 2.13 -1.26 -4.57 120.64 112.15 1wi0 n GLU 54 Ca 0.02 -0.59 -0.26 0.00 0.66 0.00 0.00 57.16 57.00 1wi0 n GLU 54 Cb 0.41 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 30.54 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wi0 n ALA 55 N -0.60 2.64 -0.78 4.31 0.00 -1.03 -5.13 120.51 119.91 1wi0 n ALA 55 Ca 0.09 -3.05 -0.34 0.00 0.00 0.00 0.00 53.44 50.13 1wi0 n ALA 55 Cb 0.40 -0.78 0.13 0.00 0.00 0.00 0.00 19.45 19.19 1wi0 n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wi0 n THR 56 N 2.69 0.00 -3.63 0.00 5.66 -1.21 -4.71 114.28 113.08 1wi0 n THR 56 Ca 0.29 -0.24 -0.12 0.00 -3.05 0.00 0.00 64.05 60.93 1wi0 n THR 56 Cb 0.49 -0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 68.75 1wi0 n THR 56 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wi0 s THR 57 N -2.20 0.00 -0.15 1.09 2.01 -1.26 -4.24 115.64 110.88 1wi0 s THR 57 Ca 0.51 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1wi0 s THR 57 Cb -0.10 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.29 1wi0 s THR 57 CO 0.68 0.00 -0.09 0.41 -0.69 0.00 0.00 174.62 174.93 1wi0 n THR 58 N 3.18 0.93 -4.43 -0.82 -1.04 -1.24 -4.79 114.28 106.07 1wi0 n THR 58 Ca -0.16 -0.42 -0.21 0.00 -2.04 0.00 0.00 64.05 61.22 1wi0 n THR 58 Cb 0.56 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 68.01 1wi0 n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wi0 s ALA 59 N -2.32 2.32 0.04 2.41 0.00 -1.26 -4.84 121.76 118.11 1wi0 s ALA 59 Ca -0.18 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 49.75 1wi0 s ALA 59 Cb 0.05 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1wi0 s ALA 59 CO 0.42 -0.17 0.17 -0.59 0.00 0.00 0.00 175.76 175.59 1wi0 s PHE 60 N -3.13 0.11 0.18 0.00 -0.71 -1.22 -0.57 117.98 112.63 1wi0 s PHE 60 Ca 0.32 -0.38 0.06 0.00 -1.04 0.00 0.00 56.93 55.89 1wi0 s PHE 60 Cb 0.06 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1wi0 s PHE 60 CO 0.13 -0.43 0.08 -1.21 -1.34 0.00 0.00 175.22 172.45 1wi0 s GLU 61 N -2.75 2.66 -0.21 1.99 2.02 0.04 -1.55 118.70 120.89 1wi0 s GLU 61 Ca -0.04 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 53.80 1wi0 s GLU 61 Cb -0.00 -2.49 0.06 0.00 0.10 0.00 0.00 34.13 31.81 1wi0 s GLU 61 CO -0.05 0.46 0.53 1.52 0.02 0.00 0.00 175.26 177.74 1wi0 s TYR 62 N -1.82 -0.76 -0.12 1.61 -0.85 -0.80 -0.20 117.35 114.41 1wi0 s TYR 62 Ca 0.30 1.62 -0.29 0.00 -0.52 0.00 0.00 57.07 58.17 1wi0 s TYR 62 Cb -0.09 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1wi0 s TYR 62 CO 0.21 -0.40 1.64 -1.21 -1.52 0.00 0.00 175.55 174.27 1wi0 s GLU 63 N 1.25 4.02 0.00 -3.49 2.02 -1.25 0.44 118.70 121.69 1wi0 s GLU 63 Ca -0.08 1.97 0.00 0.00 0.02 0.00 0.00 54.97 56.89 1wi0 s GLU 63 Cb -0.06 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1wi0 s GLU 63 CO -0.12 -1.03 0.00 -3.47 0.02 0.00 0.00 175.26 170.65 1wi0 n ASP 64 N 7.69 0.00 0.10 -0.19 2.03 -0.67 -4.74 116.55 120.77 1wi0 n ASP 64 Ca 0.18 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.45 1wi0 n ASP 64 Cb 0.44 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.99 1wi0 n ASP 64 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1wi0 h GLU 65 N 0.00 0.18 -0.89 -0.67 4.11 -1.94 -2.59 114.58 112.78 1wi0 h GLU 65 Ca 0.00 -0.12 -0.16 0.00 0.07 0.00 0.00 59.36 59.15 1wi0 h GLU 65 Cb 0.00 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1wi0 h GLU 65 CO 0.00 0.71 0.21 -0.25 0.07 0.00 0.00 179.01 179.75 1wi0 n ASP 66 N -3.89 3.58 -1.64 3.06 9.92 -1.26 -4.84 116.55 121.48 1wi0 n ASP 66 Ca -0.02 -2.75 -0.10 0.00 -0.53 0.00 0.00 54.79 51.39 1wi0 n ASP 66 Cb 0.59 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.38 1wi0 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wi0 n GLY 67 N -0.08 0.50 3.59 0.44 0.00 -0.98 -4.87 105.19 103.79 1wi0 n GLY 67 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1wi0 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi0 s ASP 68 N -1.89 6.48 -0.56 1.61 1.01 -1.26 -4.68 116.67 117.38 1wi0 s ASP 68 Ca 0.00 0.34 -0.27 0.00 0.71 0.00 0.00 52.55 53.34 1wi0 s ASP 68 Cb 0.00 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.51 1wi0 s ASP 68 CO 0.00 -0.52 2.45 0.54 0.21 0.00 0.00 175.17 177.85 1wi0 n ARG 69 N 5.95 0.91 -1.81 8.23 5.12 -1.26 -1.67 116.66 132.13 1wi0 n ARG 69 Ca -0.01 -0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.59 1wi0 n ARG 69 Cb 0.49 -3.23 0.16 0.00 -1.16 0.00 0.00 32.46 28.72 1wi0 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wi0 s ILE 70 N 11.93 1.96 -0.04 0.55 -1.09 0.17 -4.72 121.20 129.96 1wi0 s ILE 70 Ca 1.02 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.46 1wi0 s ILE 70 Cb -0.30 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.67 1wi0 s ILE 70 CO 0.28 0.00 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.06 1wi0 s THR 71 N -3.67 0.51 -0.35 2.92 2.01 -1.26 -1.91 115.64 113.88 1wi0 s THR 71 Ca 0.70 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 1wi0 s THR 71 Cb -0.07 -0.52 0.08 0.00 0.01 0.00 0.00 72.50 72.00 1wi0 s THR 71 CO 0.52 0.20 0.08 -0.69 -0.69 0.00 0.00 174.62 174.05 1wi0 s VAL 72 N 0.71 3.01 -0.35 3.82 1.01 -0.60 -4.90 120.40 123.10 1wi0 s VAL 72 Ca -0.09 -1.76 0.12 0.00 0.00 0.00 0.00 61.98 60.25 1wi0 s VAL 72 Cb -0.12 -2.92 0.30 0.00 0.00 0.00 0.00 36.38 33.63 1wi0 s VAL 72 CO 0.00 -0.39 1.22 0.54 0.00 0.00 0.00 175.10 176.48 1wi0 n ARG 73 N 4.57 2.60 -3.55 2.72 1.74 -1.26 -3.46 116.66 120.02 1wi0 n ARG 73 Ca -0.07 -2.25 -0.07 0.00 -0.77 0.00 0.00 57.85 54.69 1wi0 n ARG 73 Cb 0.42 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1wi0 n ARG 73 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wi0 s SER 74 N -1.63 -0.29 0.22 0.55 1.04 -1.26 -5.03 113.70 107.30 1wi0 s SER 74 Ca 0.25 -0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 1wi0 s SER 74 Cb 0.19 0.34 0.33 0.00 0.10 0.00 0.00 66.02 66.98 1wi0 s SER 74 CO 0.08 -0.57 1.75 0.44 0.98 0.00 0.00 173.24 175.91 1wi0 h ASP 75 N 2.00 0.28 -0.60 7.02 3.32 -1.98 -1.70 116.42 124.76 1wi0 h ASP 75 Ca -0.20 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.02 1wi0 h ASP 75 Cb 1.23 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.72 1wi0 h ASP 75 CO 0.29 0.15 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.44 1wi0 h GLU 76 N 0.45 -0.21 -0.83 3.56 4.81 -2.00 0.37 114.58 120.73 1wi0 h GLU 76 Ca 0.34 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1wi0 h GLU 76 Cb 0.43 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 1wi0 h GLU 76 CO -0.32 -0.14 0.47 0.93 -0.73 0.00 0.00 179.01 179.23 1wi0 h GLU 77 N -0.21 0.77 0.25 1.92 3.07 -1.69 -2.29 114.58 116.40 1wi0 h GLU 77 Ca 0.18 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1wi0 h GLU 77 Cb 0.56 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1wi0 h GLU 77 CO -0.70 0.51 -0.29 0.52 -1.40 0.00 0.00 179.01 177.64 1wi0 h MET 78 N 0.79 -0.53 -1.13 2.33 2.86 0.22 0.35 114.93 119.82 1wi0 h MET 78 Ca 0.40 0.04 0.37 0.00 -2.06 0.00 0.00 59.70 58.45 1wi0 h MET 78 Cb 0.38 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.02 1wi0 h MET 78 CO -0.25 -0.36 0.69 0.87 1.06 0.00 0.00 176.91 178.92 1wi0 h LYS 79 N -0.55 0.19 0.20 1.72 1.57 -0.76 0.73 116.57 119.67 1wi0 h LYS 79 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1wi0 h LYS 79 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1wi0 h LYS 79 CO -0.06 0.13 -0.10 0.00 -0.57 0.00 0.00 179.45 178.85 1wi0 h ALA 80 N 1.74 -0.27 -0.97 3.86 0.00 -0.71 0.72 119.26 123.65 1wi0 h ALA 80 Ca 0.77 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.66 1wi0 h ALA 80 Cb 2.08 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.88 1wi0 h ALA 80 CO -0.52 -0.48 0.61 1.98 0.00 0.00 0.00 179.25 180.84 1wi0 h MET 81 N -0.61 0.74 0.10 0.00 1.85 0.44 0.12 114.93 117.57 1wi0 h MET 81 Ca -0.03 -0.04 -0.29 0.00 -0.61 0.00 0.00 59.70 58.73 1wi0 h MET 81 Cb 0.45 -0.17 0.02 0.00 0.43 0.00 0.00 31.60 32.33 1wi0 h MET 81 CO 0.04 0.49 -1.20 -0.07 -0.40 0.00 0.00 176.91 175.77 1wi0 h LEU 82 N 0.76 0.83 -2.57 3.39 3.38 -0.49 -2.21 115.31 118.40 1wi0 h LEU 82 Ca 0.52 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wi0 h LEU 82 Cb 0.80 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wi0 h LEU 82 CO -0.29 1.56 0.03 0.28 0.09 0.00 0.00 178.44 180.11 1wi0 h SER 83 N 0.28 0.00 0.00 -0.43 0.02 0.24 -2.24 113.55 111.42 1wi0 h SER 83 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1wi0 h SER 83 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1wi0 h SER 83 CO 0.23 0.00 -0.22 0.22 -1.14 0.00 0.00 176.83 175.92 1wi0 h TYR 84 N 0.00 0.00 -0.92 3.45 3.20 -0.77 -3.00 116.97 118.93 1wi0 h TYR 84 Ca 0.01 0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.20 1wi0 h TYR 84 Cb 0.06 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.16 1wi0 h TYR 84 CO 0.00 0.00 0.27 0.98 -1.64 0.00 0.00 178.16 177.77 1wi0 n TYR 85 N -3.90 0.85 -0.06 -3.82 9.36 -0.84 0.17 117.16 118.92 1wi0 n TYR 85 Ca -0.03 1.09 -0.15 0.00 3.32 0.00 0.00 57.90 62.13 1wi0 n TYR 85 Cb 0.11 -1.35 -0.06 0.00 -0.63 0.00 0.00 39.34 37.41 1wi0 n TYR 85 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1wi0 h TYR 86 N 0.00 0.79 -0.36 2.98 0.05 -1.58 1.49 116.97 120.35 1wi0 h TYR 86 Ca 0.68 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 59.20 1wi0 h TYR 86 Cb 1.64 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.21 1wi0 h TYR 86 CO -0.22 1.05 0.24 1.03 -1.05 0.00 0.00 178.16 179.21 1wi0 h SER 87 N 0.31 0.28 0.07 3.88 0.87 0.19 0.15 113.55 119.30 1wi0 h SER 87 Ca 0.00 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1wi0 h SER 87 Cb 1.01 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 1wi0 h SER 87 CO 0.09 0.19 -1.91 1.07 -0.53 0.00 0.00 176.83 175.74 1wi0 n THR 88 N -4.48 1.67 0.06 2.23 5.66 0.78 -3.85 114.28 116.35 1wi0 n THR 88 Ca 0.04 -0.47 -0.12 0.00 -3.05 0.00 0.00 64.05 60.45 1wi0 n THR 88 Cb 0.19 -1.78 -0.05 0.00 -1.55 0.00 0.00 70.33 67.14 1wi0 n THR 88 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1wi0 h VAL 89 N -0.28 0.30 -0.65 1.08 2.07 0.24 0.17 116.25 119.18 1wi0 h VAL 89 Ca -0.45 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.26 1wi0 h VAL 89 Cb 1.81 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1wi0 h VAL 89 CO -0.04 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.03 1wi0 h MET 90 N -0.48 0.00 0.00 1.57 -0.00 -0.90 0.67 114.93 115.80 1wi0 h MET 90 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.63 1wi0 h MET 90 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1wi0 h MET 90 CO -0.26 0.00 -0.63 0.93 -0.00 0.00 0.00 176.91 176.95 1wi0 h GLU 91 N 0.00 0.00 0.00 -0.10 4.39 -0.87 -2.22 114.58 115.77 1wi0 h GLU 91 Ca 0.31 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 1wi0 h GLU 91 Cb 1.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1wi0 h GLU 91 CO -0.00 0.63 -0.53 1.96 -1.16 0.00 0.00 179.01 179.91 1wi0 h GLN 92 N 0.00 0.00 0.04 2.33 4.20 0.22 -2.76 115.11 119.14 1wi0 h GLN 92 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1wi0 h GLN 92 Cb 1.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.07 1wi0 h GLN 92 CO 0.08 0.53 -0.27 1.96 -0.67 0.00 0.00 178.83 180.46 1wi0 h GLN 93 N 0.00 0.11 -0.15 1.46 4.20 -1.17 -0.98 115.11 118.59 1wi0 h GLN 93 Ca -0.01 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.57 1wi0 h GLN 93 Cb 1.21 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1wi0 h GLN 93 CO 0.07 1.04 0.12 -0.39 -0.67 0.00 0.00 178.83 179.01 1wi0 h VAL 94 N -0.73 0.71 0.00 -0.54 -1.51 -1.46 -2.73 116.25 110.00 1wi0 h VAL 94 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1wi0 h VAL 94 Cb 1.17 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1wi0 h VAL 94 CO 0.05 0.00 -0.01 0.78 -1.23 0.00 0.00 177.57 177.16 1wi0 h ASN 95 N 0.00 0.00 0.00 4.19 2.35 -1.51 -3.50 115.58 117.11 1wi0 h ASN 95 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1wi0 h ASN 95 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1wi0 h ASN 95 CO -0.00 0.48 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 1wi0 n GLY 96 N 1.79 2.72 3.00 2.83 0.00 -0.38 -5.10 105.19 110.05 1wi0 n GLY 96 Ca -0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1wi0 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wi0 n GLN 97 N 0.00 0.00 -2.08 1.61 10.64 -1.16 -4.81 117.38 121.57 1wi0 n GLN 97 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 1wi0 n GLN 97 Cb 0.00 -0.93 0.02 0.00 -0.86 0.00 0.00 30.24 28.47 1wi0 n GLN 97 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wi0 s LEU 98 N 4.84 3.62 0.36 2.61 1.43 -1.26 -4.36 118.68 125.93 1wi0 s LEU 98 Ca 0.52 2.11 -0.25 0.00 -1.03 0.00 0.00 54.13 55.48 1wi0 s LEU 98 Cb -0.44 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.11 1wi0 s LEU 98 CO 0.62 -1.36 1.01 -0.63 0.23 0.00 0.00 176.35 176.22 1wi0 s ILE 99 N -1.98 3.91 0.06 -0.59 -1.09 -1.26 -4.98 121.20 115.27 1wi0 s ILE 99 Ca 0.71 1.53 -0.00 0.00 -2.23 0.00 0.00 60.65 60.65 1wi0 s ILE 99 Cb -0.23 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1wi0 s ILE 99 CO 0.32 0.08 0.22 -1.61 -1.23 0.00 0.00 174.94 172.71 1wi0 s GLU 100 N -2.27 3.45 0.27 2.79 2.02 -1.26 -5.08 118.70 118.62 1wi0 s GLU 100 Ca 0.54 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.81 1wi0 s GLU 100 Cb -0.21 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 30.89 1wi0 s GLU 100 CO 0.27 0.61 1.08 -1.25 0.02 0.00 0.00 175.26 175.98 1wi0 s PRO 101 N -2.50 4.66 -1.00 0.39 0.04 -1.26 -4.88 135.00 130.45 1wi0 s PRO 101 Ca 0.35 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1wi0 s PRO 101 Cb -0.13 -3.20 -0.20 0.00 0.04 0.00 0.00 34.50 31.01 1wi0 s PRO 101 CO 0.28 0.24 2.20 -1.17 0.04 0.00 0.00 177.00 178.59 1wi0 s LEU 102 N -1.38 2.52 -0.11 -3.56 2.96 0.13 -4.62 118.68 114.63 1wi0 s LEU 102 Ca 0.44 -0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 53.37 1wi0 s LEU 102 Cb -0.31 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 1wi0 s LEU 102 CO 0.40 -4.47 1.81 -1.58 -1.32 0.00 0.00 176.35 171.19 1wi0 s GLN 103 N 8.53 3.89 0.42 1.98 0.74 -1.26 -1.00 119.66 132.95 1wi0 s GLN 103 Ca 0.84 2.11 0.03 0.00 0.05 0.00 0.00 55.36 58.39 1wi0 s GLN 103 Cb -0.07 -4.11 -0.03 0.00 1.10 0.00 0.00 33.01 29.90 1wi0 s GLN 103 CO 0.15 -1.21 0.08 0.96 -0.55 0.00 0.00 175.29 174.71 1wi0 s ILE 104 N 5.17 0.94 -0.07 -2.34 -4.36 0.78 -3.92 121.20 117.41 1wi0 s ILE 104 Ca 0.81 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 1wi0 s ILE 104 Cb -0.33 -2.44 0.04 0.00 1.25 0.00 0.00 42.46 40.98 1wi0 s ILE 104 CO 0.33 0.00 0.14 -0.36 0.24 0.00 0.00 174.94 175.30 1wi0 s PHE 105 N -3.12 -0.15 -0.34 1.37 0.40 0.72 -0.75 117.98 116.11 1wi0 s PHE 105 Ca 0.23 0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 56.76 1wi0 s PHE 105 Cb 0.04 -0.14 0.00 0.00 0.51 0.00 0.00 43.02 43.43 1wi0 s PHE 105 CO 0.12 -0.19 1.37 -1.25 0.70 0.00 0.00 175.22 175.97 1wi0 s PRO 106 N 1.46 3.77 -0.60 0.24 0.04 -1.26 -0.78 135.00 137.87 1wi0 s PRO 106 Ca -0.06 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 1wi0 s PRO 106 Cb -0.12 -3.95 0.05 0.00 0.04 0.00 0.00 34.50 30.52 1wi0 s PRO 106 CO -0.06 -1.32 1.00 1.03 0.04 0.00 0.00 177.00 177.69 1wi0 s ARG 107 N 4.52 3.28 0.31 4.56 0.52 0.26 -4.99 118.95 127.41 1wi0 s ARG 107 Ca 0.59 -0.36 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 1wi0 s ARG 107 Cb -0.16 -4.10 -0.10 0.00 0.52 0.00 0.00 34.95 31.11 1wi0 s ARG 107 CO 0.27 -1.64 0.92 -1.12 0.02 0.00 0.00 175.30 173.75 1wi0 s SER 108 N 3.14 7.32 -0.30 0.23 0.01 -1.26 -3.62 113.70 119.22 1wi0 s SER 108 Ca 0.30 1.80 -0.16 0.00 1.31 0.00 0.00 55.95 59.19 1wi0 s SER 108 Cb -0.13 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.71 1wi0 s SER 108 CO 0.17 -0.04 1.07 -0.83 0.41 0.00 0.00 173.24 174.02 1wi0 s GLY 109 N -1.60 0.08 1.06 3.44 0.00 -1.26 -5.04 107.32 104.00 1wi0 s GLY 109 Ca 0.49 3.30 -0.17 0.00 0.00 0.00 0.00 44.72 48.34 1wi0 s GLY 109 CO 0.24 2.95 1.21 2.56 0.00 0.00 0.00 173.10 180.06 1wi0 s PRO 110 N 1.77 -0.08 0.00 2.90 0.04 -1.25 -3.99 135.00 134.39 1wi0 s PRO 110 Ca -0.05 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1wi0 s PRO 110 Cb -0.04 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wi0 s PRO 110 CO -0.15 -2.93 0.00 0.45 0.04 0.00 0.00 177.00 174.41 1wi0 n SER 111 N -4.19 0.00 0.15 6.66 2.88 -1.26 -3.56 113.62 114.30 1wi0 n SER 111 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wi0 n SER 111 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1wi0 n SER 111 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi0 n SER 112 N 3.40 -2.73 0.00 -3.46 3.41 -1.26 -5.26 113.62 107.71 1wi0 n SER 112 Ca 0.00 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1wi0 n SER 112 Cb 0.00 2.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.65 1wi0 n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49