#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 0.91 -4.65 1.61 3.41 -1.26 -4.92 113.62 108.73 1wi0 n SER 2 Ca 0.00 0.99 -0.41 0.00 -0.26 0.00 0.00 58.87 59.19 1wi0 n SER 2 Cb 0.00 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 62.57 1wi0 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wi0 s SER 3 N -0.83 6.72 0.49 4.04 1.04 -1.26 -4.93 113.70 118.98 1wi0 s SER 3 Ca 0.65 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1wi0 s SER 3 Cb -0.55 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.20 1wi0 s SER 3 CO 0.56 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1wi0 n GLY 4 N 3.84 0.73 1.31 7.32 0.00 -1.26 -4.81 105.19 112.32 1wi0 n GLY 4 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1wi0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wi0 n SER 5 N -3.51 0.63 -4.18 1.61 7.64 -1.26 -5.12 113.62 109.44 1wi0 n SER 5 Ca 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1wi0 n SER 5 Cb 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 1wi0 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wi0 s SER 6 N -5.60 0.81 0.00 6.43 0.15 -1.26 -5.09 113.70 109.13 1wi0 s SER 6 Ca 0.00 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1wi0 s SER 6 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wi0 s SER 6 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1wi0 n GLY 7 N -0.10 2.21 3.78 9.45 0.00 -1.26 -5.14 105.19 114.13 1wi0 n GLY 7 Ca -0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.97 0.63 -0.15 1.61 0.04 -1.26 -5.07 135.00 129.83 1wi0 s PRO 8 Ca 0.00 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.14 1wi0 s PRO 8 Cb 0.00 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1wi0 s PRO 8 CO 0.00 -2.51 -0.07 0.12 0.04 0.00 0.00 177.00 174.58 1wi0 s PHE 9 N -3.34 1.71 1.06 0.56 5.36 -1.26 -5.13 117.98 116.95 1wi0 s PHE 9 Ca 0.67 -1.02 -0.12 0.00 -0.96 0.00 0.00 56.93 55.50 1wi0 s PHE 9 Cb -0.12 -1.33 0.23 0.00 -0.34 0.00 0.00 43.02 41.46 1wi0 s PHE 9 CO 0.54 -0.60 1.07 0.00 -1.46 0.00 0.00 175.22 174.77 1wi0 n ALA 11 N -4.65 0.16 -3.62 0.00 0.00 -1.26 -5.00 120.51 106.14 1wi0 n ALA 11 Ca 0.06 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1wi0 n ALA 11 Cb 0.53 -2.10 -0.17 0.00 0.00 0.00 0.00 19.45 17.71 1wi0 n ALA 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wi0 s MET 12 N -2.71 0.03 -0.32 0.00 0.00 -1.26 -5.05 119.30 110.00 1wi0 s MET 12 Ca 0.75 0.03 -0.10 0.00 0.00 0.00 0.00 55.69 56.37 1wi0 s MET 12 Cb -0.42 -1.53 0.20 0.00 0.00 0.00 0.00 34.83 33.08 1wi0 s MET 12 CO 0.48 -0.60 1.13 -2.00 0.00 0.00 0.00 175.02 174.03 1wi0 s GLU 13 N 2.15 0.09 -0.21 4.11 -6.30 -1.26 -5.05 118.70 112.23 1wi0 s GLU 13 Ca 0.03 -0.07 -0.05 0.00 -2.50 0.00 0.00 54.97 52.38 1wi0 s GLU 13 Cb -0.15 0.00 0.01 0.00 0.00 0.00 0.00 34.13 33.99 1wi0 s GLU 13 CO -0.08 -0.12 0.12 -1.71 0.02 0.00 0.00 175.26 173.49 1wi0 n ASN 14 N 3.03 -7.21 -3.59 -1.70 5.15 -1.26 -5.03 115.26 104.65 1wi0 n ASN 14 Ca 0.08 0.79 -0.05 0.00 -0.60 0.00 0.00 54.58 54.80 1wi0 n ASN 14 Cb 0.65 -3.50 -0.02 0.00 -0.53 0.00 0.00 39.78 36.38 1wi0 n ASN 14 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1wi0 s GLN 15 N -1.55 0.73 0.50 1.20 -0.21 -1.26 -5.15 119.66 113.92 1wi0 s GLN 15 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.12 1wi0 s GLN 15 Cb -0.01 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.30 1wi0 s GLN 15 CO 0.48 -0.33 0.00 1.33 -2.12 0.00 0.00 175.29 174.66 1wi0 n VAL 16 N -0.28 0.00 -4.14 1.09 0.24 -1.26 -4.63 118.33 109.35 1wi0 n VAL 16 Ca -0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 1wi0 n VAL 16 Cb 0.61 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.89 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 3.82 -0.21 1.34 2.96 0.31 -5.00 118.68 121.90 1wi0 s LEU 17 Ca 0.00 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1wi0 s LEU 17 Cb 0.00 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.81 1wi0 s LEU 17 CO 0.00 0.30 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.53 1wi0 s VAL 18 N -0.38 1.72 -0.40 1.68 1.01 -1.26 0.53 120.40 123.31 1wi0 s VAL 18 Ca 0.09 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1wi0 s VAL 18 Cb -0.12 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1wi0 s VAL 18 CO 0.02 0.14 0.52 -0.63 0.00 0.00 0.00 175.10 175.15 1wi0 s ILE 19 N 1.35 4.99 -0.67 2.22 1.01 -1.07 -0.51 121.20 128.52 1wi0 s ILE 19 Ca -0.02 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 1wi0 s ILE 19 Cb -0.17 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.33 1wi0 s ILE 19 CO -0.08 -0.38 0.93 -0.60 0.00 0.00 0.00 174.94 174.81 1wi0 s ARG 20 N 2.42 3.14 -0.33 2.79 3.52 -0.64 -0.87 118.95 128.98 1wi0 s ARG 20 Ca 0.17 -1.01 -0.29 0.00 -0.13 0.00 0.00 55.73 54.47 1wi0 s ARG 20 Cb -0.16 -4.30 0.01 0.00 -1.56 0.00 0.00 34.95 28.94 1wi0 s ARG 20 CO 0.15 -1.76 1.24 0.42 -0.81 0.00 0.00 175.30 174.53 1wi0 s ILE 21 N 3.68 4.22 -0.02 4.11 1.09 0.17 -0.84 121.20 133.60 1wi0 s ILE 21 Ca 0.21 1.36 -0.30 0.00 -1.10 0.00 0.00 60.65 60.82 1wi0 s ILE 21 Cb -0.17 -4.27 -0.07 0.00 -1.06 0.00 0.00 42.46 36.89 1wi0 s ILE 21 CO 0.07 -0.56 1.72 -0.75 -0.10 0.00 0.00 174.94 175.33 1wi0 s LYS 22 N 4.14 4.17 -0.03 2.79 2.47 0.51 -2.40 119.74 131.40 1wi0 s LYS 22 Ca 0.53 2.30 -0.11 0.00 -1.56 0.00 0.00 55.97 57.13 1wi0 s LYS 22 Cb -0.14 -3.99 -0.05 0.00 -1.46 0.00 0.00 37.83 32.18 1wi0 s LYS 22 CO 0.23 -0.86 0.31 0.42 0.16 0.00 0.00 175.35 175.61 1wi0 s ILE 23 N 4.02 5.21 -0.30 5.43 -1.09 -0.29 -4.54 121.20 129.64 1wi0 s ILE 23 Ca 0.77 0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 59.43 1wi0 s ILE 23 Cb -0.36 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1wi0 s ILE 23 CO 0.32 0.54 1.35 -2.16 -1.23 0.00 0.00 174.94 173.76 1wi0 s PRO 24 N -1.23 3.87 -0.62 2.79 0.04 -1.26 -3.97 135.00 134.62 1wi0 s PRO 24 Ca 0.23 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1wi0 s PRO 24 Cb -0.15 -3.91 0.03 0.00 0.04 0.00 0.00 34.50 30.51 1wi0 s PRO 24 CO 0.11 -1.18 0.61 0.09 0.04 0.00 0.00 177.00 176.68 1wi0 n ASN 25 N 7.81 -4.94 0.00 6.66 4.13 -1.26 -4.72 115.26 122.94 1wi0 n ASN 25 Ca 0.15 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.85 1wi0 n ASN 25 Cb 0.47 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.17 1wi0 n ASN 25 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wi0 n SER 26 N -1.34 0.00 0.00 6.41 2.88 -1.26 -5.15 113.62 115.16 1wi0 n SER 26 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1wi0 n SER 26 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1wi0 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi0 n GLY 27 N -0.78 0.42 3.55 0.46 0.00 -1.25 -5.06 105.19 102.53 1wi0 n GLY 27 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.00 -1.83 0.06 4.61 0.00 -1.26 -1.14 121.76 121.19 1wi0 s ALA 28 Ca 0.00 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.50 1wi0 s ALA 28 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1wi0 s ALA 28 CO 0.00 -0.34 -0.24 0.08 0.00 0.00 0.00 175.76 175.25 1wi0 s VAL 29 N -1.06 2.34 -0.26 0.00 1.01 -1.01 -4.95 120.40 116.48 1wi0 s VAL 29 Ca -0.07 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.43 1wi0 s VAL 29 Cb -0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1wi0 s VAL 29 CO 0.06 0.31 0.10 1.51 0.00 0.00 0.00 175.10 177.09 1wi0 s ASP 30 N -1.44 5.37 -0.51 3.32 -4.77 -1.26 -0.66 116.67 116.71 1wi0 s ASP 30 Ca 0.13 -0.15 -0.18 0.00 -3.30 0.00 0.00 52.55 49.05 1wi0 s ASP 30 Cb -0.10 -1.98 0.07 0.00 -1.09 0.00 0.00 42.92 39.83 1wi0 s ASP 30 CO 0.04 -0.04 0.57 0.86 0.70 0.00 0.00 175.17 177.30 1wi0 s TRP 31 N 1.65 3.10 -0.21 2.11 -0.00 -0.05 -4.92 118.94 120.63 1wi0 s TRP 31 Ca 0.07 -0.76 -0.30 0.00 -0.00 0.00 0.00 56.10 55.10 1wi0 s TRP 31 Cb -0.15 -3.54 -0.07 0.00 -0.00 0.00 0.00 33.47 29.71 1wi0 s TRP 31 CO 0.06 -1.01 2.18 -2.37 -0.00 0.00 0.00 176.95 175.80 1wi0 n THR 32 N 5.47 0.37 -4.29 5.86 5.66 -1.26 -2.60 114.28 123.49 1wi0 n THR 32 Ca -0.09 -0.38 -0.33 0.00 -3.05 0.00 0.00 64.05 60.20 1wi0 n THR 32 Cb 0.44 -2.35 -0.16 0.00 -1.55 0.00 0.00 70.33 66.71 1wi0 n THR 32 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wi0 s VAL 33 N 7.54 2.09 -0.15 1.08 1.01 0.19 -4.96 120.40 127.19 1wi0 s VAL 33 Ca 1.01 -0.94 0.12 0.00 0.00 0.00 0.00 61.98 62.17 1wi0 s VAL 33 Cb -0.46 -1.86 -0.18 0.00 0.00 0.00 0.00 36.38 33.89 1wi0 s VAL 33 CO 0.39 0.54 0.04 1.41 0.00 0.00 0.00 175.10 177.48 1wi0 n HIS 34 N 4.45 0.00 -1.25 5.22 8.25 -1.26 0.11 115.22 130.75 1wi0 n HIS 34 Ca -0.21 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.02 1wi0 n HIS 34 Cb 0.50 -0.72 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.57 6.52 -0.37 0.41 7.64 -1.26 -4.70 113.62 119.29 1wi0 n SER 35 Ca -0.24 -3.17 0.02 0.00 1.01 0.00 0.00 58.87 56.49 1wi0 n SER 35 Cb 0.97 -1.15 0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1wi0 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 36 N 0.60 -1.83 0.14 0.23 0.00 -1.26 0.70 105.19 103.76 1wi0 n GLY 36 Ca 0.42 1.07 -0.09 0.00 0.00 0.00 0.00 46.02 47.42 1wi0 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi0 h PRO 37 N 0.00 0.27 -1.56 1.61 0.13 -1.98 -3.20 132.00 127.26 1wi0 h PRO 37 Ca 0.41 -0.26 -0.49 0.00 -0.87 0.00 0.00 66.00 64.78 1wi0 h PRO 37 Cb 0.65 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 31.65 1wi0 h PRO 37 CO -0.99 0.95 0.58 0.94 -0.23 0.00 0.00 178.00 179.25 1wi0 n GLN 38 N -3.73 2.25 -4.36 0.86 7.27 0.22 -4.90 117.38 114.98 1wi0 n GLN 38 Ca -0.04 -2.35 -0.30 0.00 0.07 0.00 0.00 57.00 54.38 1wi0 n GLN 38 Cb 0.77 -1.96 -0.11 0.00 2.41 0.00 0.00 30.24 31.35 1wi0 n GLN 38 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1wi0 s LEU 39 N -2.60 2.90 0.28 1.69 2.96 0.27 -4.82 118.68 119.37 1wi0 s LEU 39 Ca 0.48 -0.40 0.12 0.00 -0.22 0.00 0.00 54.13 54.11 1wi0 s LEU 39 Cb 0.36 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 1wi0 s LEU 39 CO -0.10 0.21 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.19 1wi0 s LEU 40 N -1.93 2.60 0.16 -0.68 1.43 -1.26 -4.96 118.68 114.04 1wi0 s LEU 40 Ca 0.19 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 1wi0 s LEU 40 Cb -0.11 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.08 1wi0 s LEU 40 CO 0.10 0.01 1.77 0.15 0.23 0.00 0.00 176.35 178.61 1wi0 h PHE 41 N 2.26 0.66 -0.38 0.29 3.57 -1.91 -2.74 116.94 118.69 1wi0 h PHE 41 Ca -0.40 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1wi0 h PHE 41 Cb 1.26 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1wi0 h PHE 41 CO 0.80 0.49 0.16 0.00 -2.23 0.00 0.00 178.31 177.53 1wi0 h ARG 42 N 0.64 0.32 -0.67 1.11 2.47 -1.96 -2.04 114.38 114.25 1wi0 h ARG 42 Ca 0.17 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.00 1wi0 h ARG 42 Cb 0.04 -0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 28.16 1wi0 h ARG 42 CO -0.03 0.21 -0.20 -0.44 0.56 0.00 0.00 179.97 180.08 1wi0 h ASP 43 N 0.33 -0.73 -0.23 7.04 5.19 -1.91 1.61 116.42 127.72 1wi0 h ASP 43 Ca 0.17 0.21 0.05 0.00 -0.62 0.00 0.00 57.03 56.84 1wi0 h ASP 43 Cb 0.11 0.45 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1wi0 h ASP 43 CO -0.14 -0.24 -0.11 0.58 -3.12 0.00 0.00 179.24 176.21 1wi0 h VAL 44 N -0.03 0.66 -0.58 -1.35 2.07 -1.22 0.42 116.25 116.22 1wi0 h VAL 44 Ca 0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 1wi0 h VAL 44 Cb 0.51 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1wi0 h VAL 44 CO -0.70 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.06 1wi0 h LEU 45 N -0.07 0.76 -1.50 2.57 -0.00 -0.01 0.73 115.31 117.78 1wi0 h LEU 45 Ca 0.12 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 1wi0 h LEU 45 Cb 0.26 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1wi0 h LEU 45 CO -0.28 0.67 -0.25 0.44 -0.00 0.00 0.00 178.44 179.02 1wi0 h ASP 46 N 0.83 0.00 0.00 -0.43 3.32 0.40 -0.86 116.42 119.68 1wi0 h ASP 46 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1wi0 h ASP 46 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1wi0 h ASP 46 CO -0.02 0.25 -0.17 0.58 -1.72 0.00 0.00 179.24 178.16 1wi0 h VAL 47 N 0.00 0.00 -0.97 -1.35 2.07 0.14 -3.35 116.25 112.79 1wi0 h VAL 47 Ca -0.00 -0.97 0.31 0.00 0.82 0.00 0.00 66.70 66.86 1wi0 h VAL 47 Cb 0.44 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.05 1wi0 h VAL 47 CO 0.03 0.00 0.29 0.40 0.02 0.00 0.00 177.57 178.31 1wi0 h ILE 48 N -0.97 0.11 -1.02 4.57 2.04 0.41 1.47 117.51 124.12 1wi0 h ILE 48 Ca 0.00 -0.03 0.27 0.00 1.00 0.00 0.00 64.86 66.10 1wi0 h ILE 48 Cb 0.17 0.02 -0.12 0.00 -0.74 0.00 0.00 36.82 36.14 1wi0 h ILE 48 CO 0.00 0.02 0.62 1.23 0.00 0.00 0.00 178.15 180.01 1wi0 h GLY 49 N 0.09 1.78 1.87 5.37 0.00 -1.29 1.27 103.07 112.17 1wi0 h GLY 49 Ca 0.68 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 1wi0 h GLY 49 CO -0.78 -0.27 -0.64 1.46 0.00 0.00 0.00 176.54 176.31 1wi0 h GLN 50 N 0.48 0.13 0.00 4.80 4.20 0.19 -1.95 115.11 122.97 1wi0 h GLN 50 Ca 0.66 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 59.12 1wi0 h GLN 50 Cb 1.41 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.21 1wi0 h GLN 50 CO -0.46 0.72 -0.59 0.28 -0.67 0.00 0.00 178.83 178.11 1wi0 h VAL 51 N 0.10 1.43 -2.92 -0.54 2.07 0.12 -3.38 116.25 113.13 1wi0 h VAL 51 Ca -0.01 -2.08 -0.62 0.00 0.82 0.00 0.00 66.70 64.82 1wi0 h VAL 51 Cb 1.14 2.61 -0.42 0.00 -1.52 0.00 0.00 31.29 33.10 1wi0 h VAL 51 CO 0.09 0.60 -0.59 0.18 0.02 0.00 0.00 177.57 177.88 1wi0 n LEU 52 N -4.23 3.03 0.24 2.57 4.32 0.36 -4.88 117.00 118.41 1wi0 n LEU 52 Ca -0.10 -5.22 0.13 0.00 -0.02 0.00 0.00 56.01 50.80 1wi0 n LEU 52 Cb 0.67 -0.70 0.41 0.00 -1.62 0.00 0.00 43.42 42.18 1wi0 n LEU 52 CO 0.46 1.81 0.87 1.55 -1.22 0.00 0.00 177.39 180.86 1wi0 h PRO 53 N 5.20 0.00 -0.03 3.23 0.13 -1.54 -2.77 132.00 136.22 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 0.05 -0.15 0.39 -0.23 0.00 0.00 178.00 178.79 1wi0 n GLU 54 N -3.14 1.95 -3.33 0.86 1.02 -1.26 -4.61 120.64 112.14 1wi0 n GLU 54 Ca 0.02 -1.62 -0.25 0.00 -0.02 0.00 0.00 57.16 55.29 1wi0 n GLU 54 Cb 0.44 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 30.31 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi0 n ALA 55 N 0.90 2.53 -1.53 0.62 0.00 -1.05 -5.12 120.51 116.86 1wi0 n ALA 55 Ca 0.12 -3.03 -0.39 0.00 0.00 0.00 0.00 53.44 50.14 1wi0 n ALA 55 Cb 0.55 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 2.63 2.56 -3.80 0.00 5.66 -1.23 -4.70 114.28 115.42 1wi0 n THR 56 Ca 0.28 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.64 1wi0 n THR 56 Cb 0.49 -0.87 -0.15 0.00 -1.55 0.00 0.00 70.33 68.25 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 -1.53 -0.03 -0.14 1.09 2.01 -1.26 -3.63 115.64 112.14 1wi0 s THR 57 Ca 0.68 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1wi0 s THR 57 Cb -0.49 -0.12 -0.13 0.00 0.01 0.00 0.00 72.50 71.77 1wi0 s THR 57 CO 0.54 0.05 -0.06 0.41 -0.69 0.00 0.00 174.62 174.87 1wi0 n THR 58 N 3.75 0.88 -4.39 -0.82 -1.04 -1.26 -4.79 114.28 106.62 1wi0 n THR 58 Ca -0.21 -0.43 -0.20 0.00 -2.04 0.00 0.00 64.05 61.17 1wi0 n THR 58 Cb 0.54 -0.89 -0.10 0.00 -1.82 0.00 0.00 70.33 68.06 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 -2.31 2.12 0.11 2.41 0.00 -1.26 -4.85 121.76 117.98 1wi0 s ALA 59 Ca -0.15 -1.87 -0.10 0.00 0.00 0.00 0.00 51.96 49.85 1wi0 s ALA 59 Cb 0.05 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1wi0 s ALA 59 CO 0.43 -0.19 0.24 -0.59 0.00 0.00 0.00 175.76 175.65 1wi0 s PHE 60 N -3.23 0.18 0.15 0.00 -0.71 -1.22 -0.63 117.98 112.52 1wi0 s PHE 60 Ca 0.30 -0.58 0.09 0.00 -1.04 0.00 0.00 56.93 55.70 1wi0 s PHE 60 Cb 0.05 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1wi0 s PHE 60 CO 0.11 -0.61 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.02 1wi0 s GLU 61 N -3.88 1.87 -0.10 1.99 2.02 -0.50 -0.41 118.70 119.69 1wi0 s GLU 61 Ca 0.08 -1.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.76 1wi0 s GLU 61 Cb 0.04 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.22 1wi0 s GLU 61 CO -0.08 0.45 0.22 1.52 0.02 0.00 0.00 175.26 177.38 1wi0 s TYR 62 N -1.46 -0.29 0.04 1.61 -0.85 -0.98 -0.70 117.35 114.73 1wi0 s TYR 62 Ca 0.21 0.72 -0.32 0.00 -0.52 0.00 0.00 57.07 57.17 1wi0 s TYR 62 Cb -0.09 -0.02 -0.11 0.00 0.38 0.00 0.00 41.96 42.11 1wi0 s TYR 62 CO 0.12 -0.24 1.88 0.39 -1.52 0.00 0.00 175.55 176.18 1wi0 n GLU 63 N 4.47 2.61 -1.40 -3.49 1.02 -1.25 -0.45 120.64 122.15 1wi0 n GLU 63 Ca -0.21 0.95 -0.16 0.00 -0.02 0.00 0.00 57.16 57.72 1wi0 n GLU 63 Cb 0.52 -2.85 0.10 0.00 -0.02 0.00 0.00 31.44 29.19 1wi0 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1wi0 n ASP 64 N 6.34 0.36 0.24 1.62 5.75 -1.26 -4.78 116.55 124.82 1wi0 n ASP 64 Ca 0.20 -1.45 0.17 0.00 -0.01 0.00 0.00 54.79 53.70 1wi0 n ASP 64 Cb 0.36 -0.52 0.86 0.00 -1.03 0.00 0.00 41.12 40.78 1wi0 n ASP 64 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1wi0 h GLU 65 N 0.00 0.00 -0.51 0.11 4.11 -1.98 0.65 114.58 116.95 1wi0 h GLU 65 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1wi0 h GLU 65 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1wi0 h GLU 65 CO 0.20 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.03 1wi0 n ASP 66 N -3.79 4.93 -4.04 3.06 8.00 -1.26 -4.96 116.55 118.49 1wi0 n ASP 66 Ca 0.00 -2.77 -0.38 0.00 0.71 0.00 0.00 54.79 52.35 1wi0 n ASP 66 Cb 0.25 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1wi0 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wi0 n GLY 67 N 0.50 -0.58 0.48 0.44 0.00 0.23 -4.80 105.19 101.45 1wi0 n GLY 67 Ca 0.25 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.58 1wi0 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wi0 n ASP 68 N -1.79 2.22 -2.49 1.61 2.03 -1.26 -4.83 116.55 112.04 1wi0 n ASP 68 Ca -0.13 -1.63 -0.02 0.00 0.52 0.00 0.00 54.79 53.52 1wi0 n ASP 68 Cb 0.50 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.80 1wi0 n ASP 68 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wi0 n ARG 69 N 0.54 -4.18 -2.41 -0.67 5.12 -1.26 -4.91 116.66 108.89 1wi0 n ARG 69 Ca 0.08 3.11 -0.25 0.00 -1.93 0.00 0.00 57.85 58.85 1wi0 n ARG 69 Cb 0.31 -4.16 0.12 0.00 -1.16 0.00 0.00 32.46 27.58 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 -0.52 2.13 -0.10 0.55 -1.09 0.41 -4.80 121.20 117.78 1wi0 s ILE 70 Ca -0.12 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1wi0 s ILE 70 Cb 0.01 -2.69 0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1wi0 s ILE 70 CO 0.32 0.00 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.14 1wi0 s THR 71 N -3.31 0.50 -0.79 2.92 2.01 -1.26 -2.32 115.64 113.39 1wi0 s THR 71 Ca 0.67 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.46 1wi0 s THR 71 Cb -0.05 -0.70 0.19 0.00 0.01 0.00 0.00 72.50 71.94 1wi0 s THR 71 CO 0.46 0.19 0.79 -0.69 -0.69 0.00 0.00 174.62 174.68 1wi0 s VAL 72 N 1.91 5.37 -1.75 3.82 1.01 0.45 -4.79 120.40 126.42 1wi0 s VAL 72 Ca 0.04 -2.10 0.18 0.00 0.00 0.00 0.00 61.98 60.10 1wi0 s VAL 72 Cb -0.13 -4.51 0.44 0.00 0.00 0.00 0.00 36.38 32.18 1wi0 s VAL 72 CO -0.06 -1.10 1.36 0.54 0.00 0.00 0.00 175.10 175.84 1wi0 n ARG 73 N 4.71 2.53 -3.54 2.72 1.74 -1.26 -3.44 116.66 120.13 1wi0 n ARG 73 Ca 0.10 -2.26 -0.10 0.00 -0.77 0.00 0.00 57.85 54.83 1wi0 n ARG 73 Cb 0.46 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1wi0 n ARG 73 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wi0 s SER 74 N -1.13 -0.44 0.36 0.55 0.15 -1.26 -5.02 113.70 106.91 1wi0 s SER 74 Ca 0.36 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.95 1wi0 s SER 74 Cb 0.19 0.56 0.77 0.00 -1.71 0.00 0.00 66.02 65.83 1wi0 s SER 74 CO 0.26 -0.93 1.92 -0.78 1.20 0.00 0.00 173.24 174.91 1wi0 h ASP 75 N 2.00 0.67 -0.11 5.45 3.58 -1.97 -2.06 116.42 123.97 1wi0 h ASP 75 Ca -0.28 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.23 1wi0 h ASP 75 Cb 1.28 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.14 1wi0 h ASP 75 CO 0.33 0.40 -0.44 -0.08 -2.88 0.00 0.00 179.24 176.57 1wi0 h GLU 76 N 0.74 -0.50 -0.66 0.28 4.81 -2.00 -0.91 114.58 116.34 1wi0 h GLU 76 Ca 0.37 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.72 1wi0 h GLU 76 Cb 0.44 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 1wi0 h GLU 76 CO -0.14 -0.33 0.29 0.93 -0.73 0.00 0.00 179.01 179.03 1wi0 h GLU 77 N -0.52 0.50 -0.25 1.92 3.07 -1.73 -2.61 114.58 114.96 1wi0 h GLU 77 Ca 0.07 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1wi0 h GLU 77 Cb 0.64 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 1wi0 h GLU 77 CO -0.39 0.33 -0.32 0.52 -1.40 0.00 0.00 179.01 177.74 1wi0 h MET 78 N 0.51 -0.21 -0.92 2.33 2.86 -0.79 0.54 114.93 119.25 1wi0 h MET 78 Ca 0.33 0.01 0.25 0.00 -2.06 0.00 0.00 59.70 58.23 1wi0 h MET 78 Cb 0.36 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 31.93 1wi0 h MET 78 CO -0.28 -0.14 0.38 0.87 1.06 0.00 0.00 176.91 178.80 1wi0 h LYS 79 N -0.22 0.31 0.66 1.72 1.57 -1.07 0.19 116.57 119.74 1wi0 h LYS 79 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1wi0 h LYS 79 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wi0 h LYS 79 CO -0.35 0.21 -0.34 0.00 -0.57 0.00 0.00 179.45 178.39 1wi0 h ALA 80 N 1.77 -0.92 -0.95 3.86 0.00 -0.32 1.44 119.26 124.14 1wi0 h ALA 80 Ca 0.60 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.52 1wi0 h ALA 80 Cb 1.22 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 1wi0 h ALA 80 CO -0.59 -1.02 0.52 1.98 0.00 0.00 0.00 179.25 180.14 1wi0 h MET 81 N -0.92 0.57 0.03 0.00 1.85 0.27 0.28 114.93 117.01 1wi0 h MET 81 Ca -0.09 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1wi0 h MET 81 Cb 0.72 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1wi0 h MET 81 CO 0.13 0.38 -0.01 -0.07 -0.40 0.00 0.00 176.91 176.93 1wi0 h LEU 82 N 0.59 -0.03 -1.10 3.39 3.38 -0.38 -1.50 115.31 119.66 1wi0 h LEU 82 Ca 0.57 -0.61 0.26 0.00 0.09 0.00 0.00 57.88 58.19 1wi0 h LEU 82 Cb 1.00 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 1wi0 h LEU 82 CO -0.45 0.62 0.62 0.28 0.09 0.00 0.00 178.44 179.60 1wi0 h SER 83 N -0.71 0.60 0.18 -0.43 0.02 0.33 -0.87 113.55 112.67 1wi0 h SER 83 Ca -0.00 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1wi0 h SER 83 Cb 0.64 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1wi0 h SER 83 CO 0.01 0.08 -0.09 0.22 -1.14 0.00 0.00 176.83 175.91 1wi0 h TYR 84 N 0.51 -0.22 -0.77 3.45 3.20 -0.49 -0.88 116.97 121.76 1wi0 h TYR 84 Ca 0.64 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.75 1wi0 h TYR 84 Cb 1.36 0.07 -0.14 0.00 1.54 0.00 0.00 36.73 39.56 1wi0 h TYR 84 CO -0.01 -0.14 0.12 0.98 -1.64 0.00 0.00 178.16 177.47 1wi0 n TYR 85 N -3.44 0.59 -0.03 -3.82 9.36 -0.57 0.12 117.16 119.38 1wi0 n TYR 85 Ca -0.03 0.93 -0.14 0.00 3.32 0.00 0.00 57.90 61.98 1wi0 n TYR 85 Cb 0.09 -1.14 -0.10 0.00 -0.63 0.00 0.00 39.34 37.56 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 0.11 -0.56 2.98 0.05 -1.25 1.59 116.97 119.89 1wi0 h TYR 86 Ca 0.52 -0.05 0.16 0.00 0.05 0.00 0.00 58.73 59.41 1wi0 h TYR 86 Cb 1.16 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 1wi0 h TYR 86 CO -0.30 0.70 0.45 0.77 -1.05 0.00 0.00 178.16 178.73 1wi0 h SER 87 N -0.52 0.00 0.01 3.88 0.02 0.24 0.22 113.55 117.40 1wi0 h SER 87 Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1wi0 h SER 87 Cb 0.71 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 1wi0 h SER 87 CO 0.01 0.00 -2.12 1.07 -1.14 0.00 0.00 176.83 174.65 1wi0 n THR 88 N -4.12 1.55 -0.20 -2.27 5.66 0.14 -4.01 114.28 111.03 1wi0 n THR 88 Ca 0.11 -0.33 -0.01 0.00 -3.05 0.00 0.00 64.05 60.77 1wi0 n THR 88 Cb 0.68 -1.86 0.07 0.00 -1.55 0.00 0.00 70.33 67.67 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 -0.78 0.42 -0.42 1.08 2.07 0.29 0.75 116.25 119.67 1wi0 h VAL 89 Ca -0.56 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.03 1wi0 h VAL 89 Cb 1.60 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1wi0 h VAL 89 CO -0.28 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.60 1wi0 h MET 90 N 0.02 0.18 0.00 1.57 -0.00 -0.79 0.22 114.93 116.13 1wi0 h MET 90 Ca 0.30 -0.01 -0.10 0.00 -0.00 0.00 0.00 59.70 59.88 1wi0 h MET 90 Cb 0.46 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 1wi0 h MET 90 CO -0.60 0.12 -0.48 0.93 -0.00 0.00 0.00 176.91 176.88 1wi0 h GLU 91 N 0.18 0.00 0.00 -0.10 5.08 0.30 -2.37 114.58 117.67 1wi0 h GLU 91 Ca 0.19 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1wi0 h GLU 91 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1wi0 h GLU 91 CO -0.03 0.48 -0.47 1.96 -1.00 0.00 0.00 179.01 179.95 1wi0 h GLN 92 N 0.00 0.00 0.10 2.33 4.20 0.13 -2.54 115.11 119.33 1wi0 h GLN 92 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1wi0 h GLN 92 Cb 1.10 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.90 1wi0 h GLN 92 CO 0.06 0.47 -0.57 1.96 -0.67 0.00 0.00 178.83 180.08 1wi0 h GLN 93 N 0.00 0.22 0.00 1.46 4.20 -1.18 -1.45 115.11 118.36 1wi0 h GLN 93 Ca -0.00 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 1wi0 h GLN 93 Cb 1.09 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1wi0 h GLN 93 CO 0.06 1.16 -0.01 -0.39 -0.67 0.00 0.00 178.83 178.98 1wi0 h VAL 94 N -0.54 0.88 0.07 -0.54 -1.51 -1.45 -2.95 116.25 110.20 1wi0 h VAL 94 Ca -0.10 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1wi0 h VAL 94 Cb 1.44 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1wi0 h VAL 94 CO 0.11 0.01 -0.03 0.78 -1.23 0.00 0.00 177.57 177.21 1wi0 h ASN 95 N 0.00 -0.08 0.00 4.19 2.35 -1.49 -3.50 115.58 117.06 1wi0 h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wi0 h ASN 95 Cb 0.02 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1wi0 h ASN 95 CO 0.00 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 1wi0 n GLY 96 N 1.55 2.50 3.17 2.83 0.00 -0.55 -5.10 105.19 109.58 1wi0 n GLY 96 Ca -0.01 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.93 1.61 10.64 -1.17 -4.83 117.38 121.70 1wi0 n GLN 97 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 1wi0 n GLN 97 Cb 0.00 -0.99 0.03 0.00 -0.86 0.00 0.00 30.24 28.42 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 5.33 3.49 0.34 2.61 1.43 -1.26 -4.37 118.68 126.24 1wi0 s LEU 98 Ca 0.54 1.99 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1wi0 s LEU 98 Cb -0.45 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.12 1wi0 s LEU 98 CO 0.67 -1.44 0.96 -0.63 0.23 0.00 0.00 176.35 176.15 1wi0 s ILE 99 N -2.26 4.15 0.08 -0.59 -1.09 -1.26 -4.98 121.20 115.26 1wi0 s ILE 99 Ca 0.67 1.73 0.02 0.00 -2.23 0.00 0.00 60.65 60.85 1wi0 s ILE 99 Cb -0.20 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1wi0 s ILE 99 CO 0.37 0.09 0.12 -1.61 -1.23 0.00 0.00 174.94 172.68 1wi0 s GLU 100 N -2.20 3.04 0.33 2.79 0.41 -1.26 -5.07 118.70 116.73 1wi0 s GLU 100 Ca 0.52 -0.64 -0.27 0.00 -0.41 0.00 0.00 54.97 54.17 1wi0 s GLU 100 Cb -0.18 -2.81 -0.09 0.00 -1.78 0.00 0.00 34.13 29.27 1wi0 s GLU 100 CO 0.24 0.57 1.07 -1.25 -0.49 0.00 0.00 175.26 175.39 1wi0 s PRO 101 N -2.50 4.46 -1.00 0.39 0.04 -1.26 -4.88 135.00 130.24 1wi0 s PRO 101 Ca 0.31 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 1wi0 s PRO 101 Cb -0.12 -2.94 -0.20 0.00 0.04 0.00 0.00 34.50 31.29 1wi0 s PRO 101 CO 0.24 0.09 2.19 -1.17 0.04 0.00 0.00 177.00 178.38 1wi0 s LEU 102 N -1.91 2.52 -0.24 -3.56 2.96 0.33 -4.64 118.68 114.13 1wi0 s LEU 102 Ca 0.50 -0.71 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 1wi0 s LEU 102 Cb -0.28 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1wi0 s LEU 102 CO 0.35 -4.47 2.06 -1.58 -1.32 0.00 0.00 176.35 171.39 1wi0 s GLN 103 N 8.51 3.26 0.25 1.98 0.74 -1.26 -1.62 119.66 131.52 1wi0 s GLN 103 Ca 0.84 1.86 0.11 0.00 0.05 0.00 0.00 55.36 58.22 1wi0 s GLN 103 Cb -0.07 -4.30 -0.05 0.00 1.10 0.00 0.00 33.01 29.69 1wi0 s GLN 103 CO 0.15 -1.95 -0.20 0.96 -0.55 0.00 0.00 175.29 173.70 1wi0 s ILE 104 N 7.61 2.30 -0.10 -2.34 -4.36 -0.02 -3.97 121.20 120.32 1wi0 s ILE 104 Ca 0.93 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1wi0 s ILE 104 Cb -0.30 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.23 1wi0 s ILE 104 CO 0.35 -0.37 -0.11 -0.36 0.24 0.00 0.00 174.94 174.68 1wi0 s PHE 105 N -2.40 1.65 -0.53 1.37 0.40 0.13 -0.36 117.98 118.24 1wi0 s PHE 105 Ca 0.26 -0.77 -0.28 0.00 -0.60 0.00 0.00 56.93 55.55 1wi0 s PHE 105 Cb -0.05 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.23 1wi0 s PHE 105 CO 0.12 -0.45 1.48 -1.25 0.70 0.00 0.00 175.22 175.82 1wi0 s PRO 106 N 1.20 3.29 -1.06 0.24 0.04 -1.26 -1.41 135.00 136.04 1wi0 s PRO 106 Ca -0.04 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1wi0 s PRO 106 Cb -0.14 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1wi0 s PRO 106 CO -0.03 -1.94 1.86 1.03 0.04 0.00 0.00 177.00 177.96 1wi0 s ARG 107 N 5.56 2.81 0.43 4.56 0.52 0.20 -4.94 118.95 128.09 1wi0 s ARG 107 Ca 0.57 -0.89 -0.24 0.00 -0.52 0.00 0.00 55.73 54.65 1wi0 s ARG 107 Cb -0.12 -5.22 -0.08 0.00 0.52 0.00 0.00 34.95 30.05 1wi0 s ARG 107 CO 0.26 -3.34 1.13 -1.54 0.02 0.00 0.00 175.30 171.83 1wi0 s SER 108 N 6.70 6.39 0.10 0.23 1.04 -1.26 -4.12 113.70 122.78 1wi0 s SER 108 Ca 0.65 2.23 -0.24 0.00 0.48 0.00 0.00 55.95 59.07 1wi0 s SER 108 Cb -0.03 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.56 1wi0 s SER 108 CO 0.04 -0.76 0.59 -0.83 0.98 0.00 0.00 173.24 173.26 1wi0 s GLY 109 N -1.39 -0.56 -1.16 7.32 0.00 -1.24 -5.05 107.32 105.24 1wi0 s GLY 109 Ca 0.61 0.64 -0.21 0.00 0.00 0.00 0.00 44.72 45.75 1wi0 s GLY 109 CO 0.33 0.31 1.79 2.56 0.00 0.00 0.00 173.10 178.09 1wi0 s PRO 110 N -3.03 3.20 0.32 2.90 0.04 -1.26 -4.66 135.00 132.52 1wi0 s PRO 110 Ca -0.02 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.69 1wi0 s PRO 110 Cb -0.01 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1wi0 s PRO 110 CO -0.06 -3.02 0.00 0.43 0.04 0.00 0.00 177.00 174.39 1wi0 n SER 111 N 11.37 -8.57 -0.05 6.66 7.64 -1.26 -4.94 113.62 124.47 1wi0 n SER 111 Ca 0.44 1.20 -0.02 0.00 1.01 0.00 0.00 58.87 61.50 1wi0 n SER 111 Cb 0.47 -4.40 -0.02 0.00 -1.01 0.00 0.00 64.21 59.26 1wi0 n SER 111 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wi0 h SER 112 N 2.83 -0.01 -0.02 6.43 0.02 -2.00 -3.54 113.55 117.26 1wi0 h SER 112 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wi0 h SER 112 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wi0 h SER 112 CO 0.00 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.85