#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi0 s SER 2 N 0.00 2.20 0.51 1.61 0.01 -1.26 -5.05 113.70 111.72 1wi0 s SER 2 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1wi0 s SER 2 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1wi0 s SER 2 CO 0.00 0.19 0.00 -1.20 0.41 0.00 0.00 173.24 172.64 1wi0 n SER 3 N 2.35 -7.38 0.00 2.44 7.64 -1.26 -5.07 113.62 112.33 1wi0 n SER 3 Ca -0.16 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1wi0 n SER 3 Cb 0.54 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 1wi0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi0 n GLY 4 N -2.39 0.03 3.41 0.23 0.00 -1.26 -5.17 105.19 100.04 1wi0 n GLY 4 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.40 1wi0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi0 s SER 5 N 0.00 3.52 -0.28 1.61 0.15 -1.26 -5.11 113.70 112.33 1wi0 s SER 5 Ca 0.00 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1wi0 s SER 5 Cb 0.00 -0.43 0.17 0.00 -1.71 0.00 0.00 66.02 64.05 1wi0 s SER 5 CO 0.00 0.23 0.46 -0.55 1.20 0.00 0.00 173.24 174.58 1wi0 s SER 6 N -1.59 -0.26 -0.35 5.45 0.15 -1.26 -5.01 113.70 110.83 1wi0 s SER 6 Ca 0.14 0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 1wi0 s SER 6 Cb -0.10 1.42 0.04 0.00 -1.71 0.00 0.00 66.02 65.68 1wi0 s SER 6 CO 0.05 -0.32 0.51 0.61 1.20 0.00 0.00 173.24 175.29 1wi0 n GLY 7 N 5.38 0.05 3.77 9.45 0.00 -1.26 -4.87 105.19 117.70 1wi0 n GLY 7 Ca 0.01 0.90 -0.39 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.12 4.50 0.60 1.61 0.04 -1.26 -5.05 135.00 133.32 1wi0 s PRO 8 Ca 0.29 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1wi0 s PRO 8 Cb -0.03 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.58 1wi0 s PRO 8 CO 0.68 0.12 0.84 0.12 0.04 0.00 0.00 177.00 178.80 1wi0 s PHE 9 N -1.32 2.43 0.16 0.56 5.36 -1.26 -5.13 117.98 118.78 1wi0 s PHE 9 Ca 0.48 -0.13 -0.09 0.00 -0.96 0.00 0.00 56.93 56.24 1wi0 s PHE 9 Cb -0.28 -2.79 -0.01 0.00 -0.34 0.00 0.00 43.02 39.60 1wi0 s PHE 9 CO 0.36 -1.12 0.28 0.00 -1.46 0.00 0.00 175.22 173.28 1wi0 s ALA 11 N -3.97 -0.18 -0.04 0.00 0.00 -1.26 -4.96 121.76 111.36 1wi0 s ALA 11 Ca 0.17 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1wi0 s ALA 11 Cb 0.03 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1wi0 s ALA 11 CO -0.00 -4.15 -0.13 -1.33 0.00 0.00 0.00 175.76 170.15 1wi0 n MET 12 N -5.25 0.20 0.00 0.00 2.81 -1.26 -5.05 117.12 108.58 1wi0 n MET 12 Ca 0.12 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1wi0 n MET 12 Cb 0.59 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1wi0 n MET 12 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1wi0 n GLU 13 N -3.71 0.00 0.00 0.03 2.13 -1.26 -5.17 120.64 112.66 1wi0 n GLU 13 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1wi0 n GLU 13 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1wi0 n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wi0 n ASN 14 N 0.00 0.00 -4.13 4.31 4.13 -1.26 -5.15 115.26 113.16 1wi0 n ASN 14 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 1wi0 n ASN 14 Cb 0.00 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 1wi0 n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wi0 n GLN 15 N -0.27 -0.22 -4.42 3.52 6.02 -1.26 -5.00 117.38 115.75 1wi0 n GLN 15 Ca 0.00 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 1wi0 n GLN 15 Cb 0.00 -1.28 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 1wi0 n GLN 15 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1wi0 s VAL 16 N -2.12 2.75 0.08 5.09 -7.23 -1.26 -4.91 120.40 112.80 1wi0 s VAL 16 Ca 0.45 -2.25 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1wi0 s VAL 16 Cb -0.13 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 1wi0 s VAL 16 CO 0.75 -0.38 0.39 -0.22 -0.31 0.00 0.00 175.10 175.32 1wi0 s LEU 17 N -3.56 4.34 -0.23 1.32 2.96 0.49 -4.97 118.68 119.03 1wi0 s LEU 17 Ca 0.31 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 1wi0 s LEU 17 Cb -0.05 -3.00 0.06 0.00 0.50 0.00 0.00 46.19 43.70 1wi0 s LEU 17 CO 0.17 0.16 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.67 1wi0 s VAL 18 N -1.42 1.10 -0.33 1.68 1.01 -1.26 -0.16 120.40 121.02 1wi0 s VAL 18 Ca 0.34 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1wi0 s VAL 18 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1wi0 s VAL 18 CO 0.19 -0.21 0.40 -0.63 0.00 0.00 0.00 175.10 174.85 1wi0 s ILE 19 N 1.58 5.13 -0.71 2.22 1.01 -1.02 -0.66 121.20 128.75 1wi0 s ILE 19 Ca -0.02 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 1wi0 s ILE 19 Cb -0.18 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.62 1wi0 s ILE 19 CO -0.09 -0.06 0.74 -0.60 0.00 0.00 0.00 174.94 174.94 1wi0 s ARG 20 N 2.12 3.31 -0.23 2.79 3.52 -0.41 0.14 118.95 130.19 1wi0 s ARG 20 Ca 0.14 -1.87 -0.29 0.00 -0.13 0.00 0.00 55.73 53.58 1wi0 s ARG 20 Cb -0.16 -4.42 -0.01 0.00 -1.56 0.00 0.00 34.95 28.80 1wi0 s ARG 20 CO 0.12 -1.44 1.36 0.42 -0.81 0.00 0.00 175.30 174.94 1wi0 s ILE 21 N 1.57 4.09 -0.29 4.11 1.09 -0.22 -1.66 121.20 129.88 1wi0 s ILE 21 Ca 0.15 1.27 -0.28 0.00 -1.10 0.00 0.00 60.65 60.68 1wi0 s ILE 21 Cb -0.18 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1wi0 s ILE 21 CO -0.02 -0.31 1.89 -0.75 -0.10 0.00 0.00 174.94 175.65 1wi0 s LYS 22 N 4.02 3.33 0.16 2.79 2.47 0.36 -2.14 119.74 130.73 1wi0 s LYS 22 Ca 0.59 1.61 -0.22 0.00 -1.56 0.00 0.00 55.97 56.39 1wi0 s LYS 22 Cb -0.20 -4.23 -0.08 0.00 -1.46 0.00 0.00 37.83 31.86 1wi0 s LYS 22 CO 0.21 -1.86 0.71 0.42 0.16 0.00 0.00 175.35 174.99 1wi0 s ILE 23 N 7.08 4.53 -0.36 5.43 -1.09 -0.52 -4.52 121.20 131.75 1wi0 s ILE 23 Ca 0.85 1.44 -0.29 0.00 -2.23 0.00 0.00 60.65 60.42 1wi0 s ILE 23 Cb -0.26 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1wi0 s ILE 23 CO 0.34 0.43 1.38 -2.16 -1.23 0.00 0.00 174.94 173.70 1wi0 s PRO 24 N -1.41 3.72 -1.21 2.79 0.04 -1.26 -3.67 135.00 134.00 1wi0 s PRO 24 Ca 0.36 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.31 1wi0 s PRO 24 Cb -0.20 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1wi0 s PRO 24 CO 0.23 -1.38 0.70 -1.71 0.04 0.00 0.00 177.00 174.88 1wi0 n ASN 25 N 8.33 -4.10 -2.59 6.66 2.85 -1.26 -4.86 115.26 120.30 1wi0 n ASN 25 Ca 0.16 -1.06 -0.03 0.00 -0.11 0.00 0.00 54.58 53.54 1wi0 n ASN 25 Cb 0.47 -3.06 -0.03 0.00 1.24 0.00 0.00 39.78 38.41 1wi0 n ASN 25 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wi0 n SER 26 N -2.66 -0.99 0.00 1.20 7.64 -1.24 -5.13 113.62 112.44 1wi0 n SER 26 Ca -0.14 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.22 1wi0 n SER 26 Cb 0.61 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 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 -0.48 2.70 3.54 0.23 0.00 -1.26 -4.65 105.19 105.27 1wi0 n GLY 27 Ca -0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.56 0.13 -0.08 4.61 0.00 -1.26 -1.43 121.76 122.17 1wi0 s ALA 28 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1wi0 s ALA 28 Cb 0.00 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.24 1wi0 s ALA 28 CO 0.00 -0.82 -0.02 0.08 0.00 0.00 0.00 175.76 175.00 1wi0 s VAL 29 N -3.64 0.52 -0.48 0.00 1.01 -0.91 -4.90 120.40 112.00 1wi0 s VAL 29 Ca 0.26 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 1wi0 s VAL 29 Cb -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.77 1wi0 s VAL 29 CO 0.13 0.28 0.88 -1.81 0.00 0.00 0.00 175.10 174.58 1wi0 s ASP 30 N 1.79 6.42 -0.58 3.32 1.11 -1.25 -1.06 116.67 126.42 1wi0 s ASP 30 Ca 0.03 -0.10 -0.28 0.00 0.18 0.00 0.00 52.55 52.38 1wi0 s ASP 30 Cb -0.13 -2.42 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1wi0 s ASP 30 CO -0.05 -1.06 1.27 0.86 1.18 0.00 0.00 175.17 177.37 1wi0 s TRP 31 N 3.65 2.49 -0.37 4.23 -0.00 0.38 -4.84 118.94 124.47 1wi0 s TRP 31 Ca 0.33 0.41 -0.27 0.00 -0.00 0.00 0.00 56.10 56.56 1wi0 s TRP 31 Cb -0.11 -4.49 -0.04 0.00 -0.00 0.00 0.00 33.47 28.82 1wi0 s TRP 31 CO 0.23 -1.74 2.14 -0.08 -0.00 0.00 0.00 176.95 177.49 1wi0 s THR 32 N 5.34 3.16 -0.16 5.86 -1.32 -1.26 -2.45 115.64 124.81 1wi0 s THR 32 Ca 0.46 0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 61.06 1wi0 s THR 32 Cb -0.09 -3.27 -0.01 0.00 -1.51 0.00 0.00 72.50 67.62 1wi0 s THR 32 CO 0.25 -0.22 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.63 1wi0 s VAL 33 N 9.25 2.93 -0.17 5.08 1.01 0.77 -4.98 120.40 134.29 1wi0 s VAL 33 Ca 0.91 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1wi0 s VAL 33 Cb -0.23 -2.26 -0.23 0.00 0.00 0.00 0.00 36.38 33.66 1wi0 s VAL 33 CO 0.30 0.50 0.15 1.41 0.00 0.00 0.00 175.10 177.46 1wi0 n HIS 34 N 4.11 0.80 -2.70 5.22 8.25 -1.26 0.18 115.22 129.82 1wi0 n HIS 34 Ca -0.19 0.17 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1wi0 n HIS 34 Cb 0.52 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.39 5.35 -0.10 0.41 7.64 -1.26 -4.45 113.62 117.81 1wi0 n SER 35 Ca -0.37 -3.10 -0.06 0.00 1.01 0.00 0.00 58.87 56.35 1wi0 n SER 35 Cb 1.03 -1.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 8.03 0.33 0.82 0.23 0.00 -1.91 -2.84 103.07 107.74 1wi0 h GLY 36 Ca 0.33 0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.54 1wi0 h GLY 36 CO 1.42 -0.07 -0.57 -0.56 0.00 0.00 0.00 176.54 176.75 1wi0 h PRO 37 N 0.10 0.45 -2.53 4.80 0.13 -1.99 -3.31 132.00 129.64 1wi0 h PRO 37 Ca 0.16 -0.44 -0.37 0.00 -0.87 0.00 0.00 66.00 64.49 1wi0 h PRO 37 Cb 0.22 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1wi0 h PRO 37 CO -0.27 1.08 1.43 0.94 -0.23 0.00 0.00 178.00 180.95 1wi0 n GLN 38 N -4.22 2.51 -4.80 0.86 -0.06 -1.08 -4.81 117.38 105.78 1wi0 n GLN 38 Ca -0.10 -1.41 -0.24 0.00 -2.00 0.00 0.00 57.00 53.25 1wi0 n GLN 38 Cb 0.65 -2.30 -0.15 0.00 -4.06 0.00 0.00 30.24 24.38 1wi0 n GLN 38 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1wi0 s LEU 39 N 0.07 2.04 0.28 1.69 2.96 -1.17 -4.80 118.68 119.74 1wi0 s LEU 39 Ca 0.62 -0.32 0.11 0.00 -0.22 0.00 0.00 54.13 54.32 1wi0 s LEU 39 Cb 0.23 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 1wi0 s LEU 39 CO -0.02 0.21 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.34 1wi0 s LEU 40 N -0.44 2.83 0.19 -0.68 1.43 -1.26 -4.92 118.68 115.84 1wi0 s LEU 40 Ca 0.07 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1wi0 s LEU 40 Cb -0.07 -1.32 0.15 0.00 0.03 0.00 0.00 46.19 44.99 1wi0 s LEU 40 CO -0.01 -0.01 1.82 0.15 0.23 0.00 0.00 176.35 178.54 1wi0 h PHE 41 N 2.09 0.68 -0.16 0.29 3.57 -1.90 -2.47 116.94 119.03 1wi0 h PHE 41 Ca -0.42 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1wi0 h PHE 41 Cb 1.26 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1wi0 h PHE 41 CO 0.76 0.38 0.04 0.00 -2.23 0.00 0.00 178.31 177.26 1wi0 h ARG 42 N 0.71 0.11 -0.86 1.11 2.47 -1.96 -1.83 114.38 114.13 1wi0 h ARG 42 Ca 0.25 -0.01 0.23 0.00 -1.26 0.00 0.00 59.98 59.19 1wi0 h ARG 42 Cb 0.05 -0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 28.20 1wi0 h ARG 42 CO -0.11 0.07 0.22 -0.44 0.56 0.00 0.00 179.97 180.27 1wi0 h ASP 43 N 0.11 -0.02 0.06 7.04 5.19 -1.86 1.67 116.42 128.62 1wi0 h ASP 43 Ca 0.07 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1wi0 h ASP 43 Cb 0.06 0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1wi0 h ASP 43 CO -0.09 -0.15 -0.05 0.58 -3.12 0.00 0.00 179.24 176.42 1wi0 h VAL 44 N 0.21 0.90 0.00 -1.35 2.07 -1.08 0.77 116.25 117.77 1wi0 h VAL 44 Ca 0.54 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.02 1wi0 h VAL 44 Cb 1.06 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1wi0 h VAL 44 CO -0.65 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 176.68 1wi0 h LEU 45 N -0.11 0.00 -1.01 2.57 -0.00 0.35 0.38 115.31 117.48 1wi0 h LEU 45 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.77 1wi0 h LEU 45 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1wi0 h LEU 45 CO -0.00 0.19 -0.48 0.44 -0.00 0.00 0.00 178.44 178.59 1wi0 h ASP 46 N 0.00 0.03 0.00 -0.43 3.32 0.34 -0.71 116.42 118.97 1wi0 h ASP 46 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wi0 h ASP 46 Cb 0.38 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1wi0 h ASP 46 CO 0.02 0.51 -0.26 0.58 -1.72 0.00 0.00 179.24 178.37 1wi0 h VAL 47 N 0.02 0.00 -0.94 -1.35 2.07 0.56 -3.36 116.25 113.25 1wi0 h VAL 47 Ca -0.00 -0.98 0.27 0.00 0.82 0.00 0.00 66.70 66.80 1wi0 h VAL 47 Cb 0.86 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.49 1wi0 h VAL 47 CO 0.06 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.46 1wi0 h ILE 48 N -0.98 0.34 -1.02 4.57 2.04 -0.40 1.30 117.51 123.37 1wi0 h ILE 48 Ca 0.00 -0.10 0.30 0.00 1.00 0.00 0.00 64.86 66.05 1wi0 h ILE 48 Cb 0.26 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1wi0 h ILE 48 CO 0.00 0.06 0.79 1.23 0.00 0.00 0.00 178.15 180.22 1wi0 h GLY 49 N 0.30 0.00 1.29 5.37 0.00 -1.27 1.77 103.07 110.54 1wi0 h GLY 49 Ca 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.87 1wi0 h GLY 49 CO -0.61 0.00 -0.97 1.46 0.00 0.00 0.00 176.54 176.42 1wi0 h GLN 50 N 0.00 0.00 0.16 4.80 4.20 0.15 -2.97 115.11 121.46 1wi0 h GLN 50 Ca 0.48 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.93 1wi0 h GLN 50 Cb 2.05 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.84 1wi0 h GLN 50 CO -0.01 0.21 -1.28 0.28 -0.67 0.00 0.00 178.83 177.37 1wi0 h VAL 51 N 0.00 1.22 -2.49 -0.54 2.07 0.26 -3.39 116.25 113.37 1wi0 h VAL 51 Ca -0.07 -2.51 -0.60 0.00 0.82 0.00 0.00 66.70 64.34 1wi0 h VAL 51 Cb 1.31 2.94 -0.41 0.00 -1.52 0.00 0.00 31.29 33.60 1wi0 h VAL 51 CO 0.03 0.75 -0.66 0.18 0.02 0.00 0.00 177.57 177.89 1wi0 n LEU 52 N -3.91 2.87 0.23 2.57 4.32 0.33 -4.87 117.00 118.54 1wi0 n LEU 52 Ca -0.20 -5.22 0.13 0.00 -0.02 0.00 0.00 56.01 50.70 1wi0 n LEU 52 Cb 0.94 -0.48 0.39 0.00 -1.62 0.00 0.00 43.42 42.64 1wi0 n LEU 52 CO 0.48 1.94 0.84 1.55 -1.22 0.00 0.00 177.39 180.99 1wi0 h PRO 53 N 4.66 0.00 0.00 3.23 0.13 -1.73 -2.85 132.00 135.44 1wi0 h PRO 53 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wi0 h PRO 53 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1wi0 h PRO 53 CO 0.73 0.09 -0.87 -1.91 -0.23 0.00 0.00 178.00 175.81 1wi0 n GLU 54 N -3.17 0.03 -3.80 0.86 4.07 -1.26 -4.80 120.64 112.57 1wi0 n GLU 54 Ca 0.02 -0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.85 1wi0 n GLU 54 Cb 0.45 -1.51 -0.17 0.00 -0.06 0.00 0.00 31.44 30.16 1wi0 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wi0 s ALA 55 N -3.02 1.08 1.25 4.31 0.00 -1.07 -5.14 121.76 119.17 1wi0 s ALA 55 Ca 0.08 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1wi0 s ALA 55 Cb 0.16 -1.02 0.31 0.00 0.00 0.00 0.00 23.12 22.57 1wi0 s ALA 55 CO 0.82 -0.81 0.95 2.41 0.00 0.00 0.00 175.76 179.12 1wi0 n THR 56 N 5.02 0.00 0.05 0.00 -1.04 -1.26 -4.57 114.28 112.48 1wi0 n THR 56 Ca -0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1wi0 n THR 56 Cb 0.48 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1wi0 n THR 56 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wi0 n THR 57 N -5.19 0.00 0.00 12.58 -1.04 -1.25 -4.12 114.28 115.26 1wi0 n THR 57 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1wi0 n THR 57 Cb 0.55 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1wi0 n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wi0 n THR 58 N -2.81 0.00 -4.51 12.58 -1.04 -1.26 -4.22 114.28 113.01 1wi0 n THR 58 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1wi0 n THR 58 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 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 0.00 2.69 0.08 2.41 0.00 -1.26 -4.82 121.76 120.85 1wi0 s ALA 59 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.69 1wi0 s ALA 59 Cb 0.00 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1wi0 s ALA 59 CO 0.00 -0.17 0.34 -0.59 0.00 0.00 0.00 175.76 175.34 1wi0 s PHE 60 N -2.98 -0.13 0.23 0.00 -0.71 -1.15 -1.00 117.98 112.24 1wi0 s PHE 60 Ca 0.34 -0.09 0.09 0.00 -1.04 0.00 0.00 56.93 56.23 1wi0 s PHE 60 Cb 0.08 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1wi0 s PHE 60 CO 0.16 -0.59 -0.01 -1.21 -1.34 0.00 0.00 175.22 172.23 1wi0 s GLU 61 N -3.15 2.32 -0.15 1.99 2.02 -0.66 -0.08 118.70 120.99 1wi0 s GLU 61 Ca -0.01 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.58 1wi0 s GLU 61 Cb 0.01 -2.23 0.05 0.00 0.10 0.00 0.00 34.13 32.06 1wi0 s GLU 61 CO -0.07 0.40 0.36 1.52 0.02 0.00 0.00 175.26 177.49 1wi0 s TYR 62 N -2.09 -0.48 0.03 1.61 -0.85 -0.89 -1.03 117.35 113.65 1wi0 s TYR 62 Ca 0.30 1.08 -0.30 0.00 -0.52 0.00 0.00 57.07 57.62 1wi0 s TYR 62 Cb -0.07 0.18 -0.08 0.00 0.38 0.00 0.00 41.96 42.37 1wi0 s TYR 62 CO 0.19 -0.27 1.72 -1.21 -1.52 0.00 0.00 175.55 174.46 1wi0 s GLU 63 N 1.00 4.18 0.00 -3.49 2.02 -1.25 0.19 118.70 121.35 1wi0 s GLU 63 Ca -0.07 2.35 0.00 0.00 0.02 0.00 0.00 54.97 57.28 1wi0 s GLU 63 Cb -0.07 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.33 1wi0 s GLU 63 CO -0.08 -0.82 0.00 -0.40 0.02 0.00 0.00 175.26 173.98 1wi0 n ASP 64 N 6.47 0.00 0.19 -0.19 5.75 -1.26 -4.77 116.55 122.74 1wi0 n ASP 64 Ca 0.17 -0.64 0.07 0.00 -0.01 0.00 0.00 54.79 54.38 1wi0 n ASP 64 Cb 0.41 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 41.08 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 0.14 -0.64 0.11 4.11 -1.97 0.20 114.58 116.52 1wi0 h GLU 65 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1wi0 h GLU 65 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wi0 h GLU 65 CO 0.00 0.11 0.00 -0.25 0.07 0.00 0.00 179.01 178.94 1wi0 n ASP 66 N -4.50 5.10 -4.00 3.06 8.00 -1.26 -4.94 116.55 118.00 1wi0 n ASP 66 Ca -0.01 -2.61 -0.27 0.00 0.71 0.00 0.00 54.79 52.60 1wi0 n ASP 66 Cb 0.10 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.51 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 0.97 -0.18 1.08 0.44 0.00 0.68 -4.77 105.19 103.41 1wi0 n GLY 67 Ca 0.26 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.22 3.32 -2.48 1.61 -0.08 -1.26 -4.81 116.55 110.63 1wi0 n ASP 68 Ca -0.25 -1.97 -0.02 0.00 -1.51 0.00 0.00 54.79 51.04 1wi0 n ASP 68 Cb 0.56 -0.21 -0.02 0.00 2.34 0.00 0.00 41.12 43.79 1wi0 n ASP 68 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wi0 n ARG 69 N 1.40 -4.50 -2.50 -0.67 5.12 -1.26 -4.93 116.66 109.31 1wi0 n ARG 69 Ca 0.18 3.33 -0.24 0.00 -1.93 0.00 0.00 57.85 59.18 1wi0 n ARG 69 Cb 0.58 -4.46 0.12 0.00 -1.16 0.00 0.00 32.46 27.55 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 -0.56 2.10 -0.07 0.55 -1.09 0.13 -4.79 121.20 117.47 1wi0 s ILE 70 Ca -0.12 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1wi0 s ILE 70 Cb 0.01 -2.59 0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1wi0 s ILE 70 CO 0.33 0.00 -0.01 -0.89 -1.23 0.00 0.00 174.94 173.14 1wi0 s THR 71 N -3.25 0.44 -0.42 2.92 2.01 -1.26 -2.10 115.64 113.98 1wi0 s THR 71 Ca 0.68 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.61 1wi0 s THR 71 Cb -0.05 -0.56 0.06 0.00 0.01 0.00 0.00 72.50 71.96 1wi0 s THR 71 CO 0.46 0.26 0.29 -0.69 -0.69 0.00 0.00 174.62 174.24 1wi0 s VAL 72 N 1.71 4.67 -0.04 3.82 1.01 0.88 -4.86 120.40 127.59 1wi0 s VAL 72 Ca 0.01 -1.12 0.15 0.00 0.00 0.00 0.00 61.98 61.02 1wi0 s VAL 72 Cb -0.13 -3.76 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 1wi0 s VAL 72 CO -0.04 -0.45 0.33 0.54 0.00 0.00 0.00 175.10 175.48 1wi0 n ARG 73 N 5.04 0.51 -4.15 2.72 1.74 -1.26 -2.93 116.66 118.32 1wi0 n ARG 73 Ca -0.11 -0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 1wi0 n ARG 73 Cb 0.44 -1.34 -0.09 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 -3.64 0.19 0.32 0.55 0.15 -1.26 -4.97 113.70 105.04 1wi0 s SER 74 Ca -0.05 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.34 1wi0 s SER 74 Cb 0.09 0.45 0.66 0.00 -1.71 0.00 0.00 66.02 65.51 1wi0 s SER 74 CO 0.61 -0.94 1.87 0.44 1.20 0.00 0.00 173.24 176.41 1wi0 h ASP 75 N 2.49 0.81 -0.40 5.45 3.32 -1.97 -1.93 116.42 124.19 1wi0 h ASP 75 Ca -0.33 0.04 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1wi0 h ASP 75 Cb 1.25 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 1wi0 h ASP 75 CO 0.47 0.44 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.86 1wi0 h GLU 76 N 0.88 -0.36 -0.78 3.56 4.81 -2.00 0.11 114.58 120.80 1wi0 h GLU 76 Ca 0.45 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1wi0 h GLU 76 Cb 0.52 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1wi0 h GLU 76 CO -0.22 -0.24 0.51 0.93 -0.73 0.00 0.00 179.01 179.27 1wi0 h GLU 77 N -0.37 1.01 0.00 1.92 5.08 -1.72 -2.84 114.58 117.66 1wi0 h GLU 77 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1wi0 h GLU 77 Cb 0.60 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1wi0 h GLU 77 CO -0.58 0.67 -0.18 0.52 -1.00 0.00 0.00 179.01 178.43 1wi0 h MET 78 N 1.04 -0.22 -0.96 2.33 2.86 -0.25 0.21 114.93 119.95 1wi0 h MET 78 Ca 0.29 0.01 0.30 0.00 -2.06 0.00 0.00 59.70 58.24 1wi0 h MET 78 Cb -0.10 0.05 -0.17 0.00 0.06 0.00 0.00 31.60 31.44 1wi0 h MET 78 CO -0.07 -0.15 0.21 0.87 1.06 0.00 0.00 176.91 178.83 1wi0 h LYS 79 N -0.23 0.06 0.49 1.72 1.57 -0.83 0.60 116.57 119.96 1wi0 h LYS 79 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wi0 h LYS 79 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1wi0 h LYS 79 CO -0.12 0.04 -0.34 0.00 -0.57 0.00 0.00 179.45 178.47 1wi0 h ALA 80 N 1.93 -0.82 -0.97 3.86 0.00 -0.96 1.35 119.26 123.67 1wi0 h ALA 80 Ca 0.65 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 55.63 1wi0 h ALA 80 Cb 1.44 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 1wi0 h ALA 80 CO -0.81 -0.98 0.54 1.98 0.00 0.00 0.00 179.25 179.98 1wi0 h MET 81 N -0.80 0.54 -0.04 0.00 1.85 0.33 0.36 114.93 117.16 1wi0 h MET 81 Ca -0.05 -0.03 -0.20 0.00 -0.61 0.00 0.00 59.70 58.80 1wi0 h MET 81 Cb 0.67 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.59 1wi0 h MET 81 CO 0.03 0.36 -0.76 -0.07 -0.40 0.00 0.00 176.91 176.07 1wi0 h LEU 82 N 0.55 0.74 -1.50 3.39 3.38 -0.32 -1.48 115.31 120.07 1wi0 h LEU 82 Ca 0.61 -0.71 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1wi0 h LEU 82 Cb 1.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1wi0 h LEU 82 CO -0.48 1.35 0.47 -1.28 0.09 0.00 0.00 178.44 178.59 1wi0 h SER 83 N 0.20 0.49 0.11 -0.43 0.87 0.47 -1.54 113.55 113.73 1wi0 h SER 83 Ca -0.08 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1wi0 h SER 83 Cb 1.43 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1wi0 h SER 83 CO 0.15 0.29 -0.05 0.22 -0.53 0.00 0.00 176.83 176.91 1wi0 h TYR 84 N 0.54 -0.14 -0.92 2.24 3.20 -0.39 -1.51 116.97 120.00 1wi0 h TYR 84 Ca 0.33 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.41 1wi0 h TYR 84 Cb 0.56 0.05 -0.17 0.00 1.54 0.00 0.00 36.73 38.70 1wi0 h TYR 84 CO -0.00 -0.09 -0.14 0.98 -1.64 0.00 0.00 178.16 177.27 1wi0 n TYR 85 N -4.48 0.42 -0.04 -3.82 9.36 -0.56 0.11 117.16 118.14 1wi0 n TYR 85 Ca -0.02 1.11 -0.17 0.00 3.32 0.00 0.00 57.90 62.15 1wi0 n TYR 85 Cb 0.06 -1.09 -0.07 0.00 -0.63 0.00 0.00 39.34 37.62 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 1.04 0.00 2.98 0.05 -1.41 1.53 116.97 121.16 1wi0 h TYR 86 Ca 0.48 -0.43 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1wi0 h TYR 86 Cb 0.84 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 1wi0 h TYR 86 CO -0.62 1.26 -0.03 1.03 -1.05 0.00 0.00 178.16 178.75 1wi0 h SER 87 N 0.52 0.00 0.03 3.88 0.87 0.19 -0.23 113.55 118.81 1wi0 h SER 87 Ca -0.03 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.15 1wi0 h SER 87 Cb 1.30 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 1wi0 h SER 87 CO 0.14 0.03 -2.20 1.07 -0.53 0.00 0.00 176.83 175.34 1wi0 n THR 88 N -4.47 1.58 -0.17 2.23 5.66 0.29 -4.04 114.28 115.36 1wi0 n THR 88 Ca -0.03 -0.46 -0.02 0.00 -3.05 0.00 0.00 64.05 60.49 1wi0 n THR 88 Cb 0.11 -1.71 0.05 0.00 -1.55 0.00 0.00 70.33 67.23 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 -0.39 0.52 -0.14 1.08 2.07 0.24 0.67 116.25 120.30 1wi0 h VAL 89 Ca -0.54 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1wi0 h VAL 89 Cb 1.77 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1wi0 h VAL 89 CO -0.15 0.01 0.12 0.00 0.02 0.00 0.00 177.57 177.57 1wi0 h MET 90 N 0.04 0.00 0.00 1.57 -0.00 -1.24 0.18 114.93 115.48 1wi0 h MET 90 Ca 0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.83 1wi0 h MET 90 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.97 1wi0 h MET 90 CO -0.50 0.00 -0.59 0.93 -0.00 0.00 0.00 176.91 176.75 1wi0 h GLU 91 N 0.00 0.00 0.00 -0.10 5.08 0.10 -2.27 114.58 117.40 1wi0 h GLU 91 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1wi0 h GLU 91 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1wi0 h GLU 91 CO -0.00 0.59 -0.35 1.96 -1.00 0.00 0.00 179.01 180.21 1wi0 h GLN 92 N 0.00 0.00 0.00 2.33 4.20 0.13 -2.61 115.11 119.16 1wi0 h GLN 92 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1wi0 h GLN 92 Cb 1.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 1wi0 h GLN 92 CO 0.08 0.35 -0.61 1.96 -0.67 0.00 0.00 178.83 179.93 1wi0 h GLN 93 N 0.00 0.00 -0.14 1.46 4.20 -1.37 -1.97 115.11 117.28 1wi0 h GLN 93 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1wi0 h GLN 93 Cb 0.94 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1wi0 h GLN 93 CO 0.05 0.85 0.29 -0.39 -0.67 0.00 0.00 178.83 178.96 1wi0 h VAL 94 N -1.00 0.21 0.00 -0.54 -1.51 -1.47 -1.55 116.25 110.39 1wi0 h VAL 94 Ca -0.16 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.24 1wi0 h VAL 94 Cb 1.03 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1wi0 h VAL 94 CO -0.10 0.00 -0.52 0.78 -1.23 0.00 0.00 177.57 176.51 1wi0 h ASN 95 N 0.00 0.00 0.00 4.19 -0.26 -1.55 -3.50 115.58 114.46 1wi0 h ASN 95 Ca 0.07 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1wi0 h ASN 95 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1wi0 h ASN 95 CO -0.00 0.96 0.00 0.61 -1.06 0.00 0.00 177.43 177.94 1wi0 n GLY 96 N 1.60 3.34 3.39 2.83 0.00 -0.58 -5.10 105.19 110.66 1wi0 n GLY 96 Ca -0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1wi0 n GLY 96 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wi0 n GLN 97 N 0.00 -0.08 -2.56 1.61 6.02 -0.81 -4.86 117.38 116.70 1wi0 n GLN 97 Ca 0.00 0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 1wi0 n GLN 97 Cb 0.00 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.45 1wi0 n GLN 97 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wi0 s LEU 98 N 0.04 3.77 0.67 1.08 1.43 -1.26 -4.18 118.68 120.23 1wi0 s LEU 98 Ca 0.58 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1wi0 s LEU 98 Cb -0.25 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.43 1wi0 s LEU 98 CO 0.66 -0.57 1.05 -0.63 0.23 0.00 0.00 176.35 177.09 1wi0 s ILE 99 N -2.34 4.23 0.11 -0.59 -1.09 -1.26 -4.95 121.20 115.30 1wi0 s ILE 99 Ca 0.62 0.74 0.10 0.00 -2.23 0.00 0.00 60.65 59.87 1wi0 s ILE 99 Cb -0.11 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1wi0 s ILE 99 CO 0.23 -0.93 -0.24 -1.83 -1.23 0.00 0.00 174.94 170.94 1wi0 s GLU 100 N -5.03 1.30 0.26 2.79 -1.05 -1.26 -5.12 118.70 110.59 1wi0 s GLU 100 Ca 0.57 -1.25 -0.30 0.00 -0.15 0.00 0.00 54.97 53.85 1wi0 s GLU 100 Cb -0.13 -1.67 -0.09 0.00 -0.44 0.00 0.00 34.13 31.79 1wi0 s GLU 100 CO 0.54 0.40 1.09 -1.25 0.95 0.00 0.00 175.26 176.98 1wi0 s PRO 101 N -1.93 4.65 -0.85 -4.83 0.04 -1.26 -4.88 135.00 125.94 1wi0 s PRO 101 Ca 0.10 1.77 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 1wi0 s PRO 101 Cb -0.10 -3.21 -0.18 0.00 0.04 0.00 0.00 34.50 31.05 1wi0 s PRO 101 CO 0.05 0.22 2.24 -0.11 0.04 0.00 0.00 177.00 179.43 1wi0 n LEU 102 N 1.40 1.13 -4.57 -3.56 7.94 0.16 -4.64 117.00 114.87 1wi0 n LEU 102 Ca -0.01 -1.66 -0.40 0.00 -1.11 0.00 0.00 56.01 52.83 1wi0 n LEU 102 Cb 0.45 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 1wi0 n LEU 102 CO 0.54 -2.75 1.61 -1.58 -1.11 0.00 0.00 177.39 174.10 1wi0 s GLN 103 N 8.43 2.90 0.35 1.96 0.74 -1.26 -1.29 119.66 131.49 1wi0 s GLN 103 Ca 0.90 1.06 0.09 0.00 0.05 0.00 0.00 55.36 57.45 1wi0 s GLN 103 Cb -0.18 -4.32 -0.05 0.00 1.10 0.00 0.00 33.01 29.56 1wi0 s GLN 103 CO 0.16 -2.39 0.03 0.96 -0.55 0.00 0.00 175.29 173.51 1wi0 s ILE 104 N 8.38 2.60 -0.05 -2.34 -4.36 -0.67 -3.88 121.20 120.88 1wi0 s ILE 104 Ca 0.76 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1wi0 s ILE 104 Cb -0.17 -2.83 0.02 0.00 1.25 0.00 0.00 42.46 40.72 1wi0 s ILE 104 CO 0.27 -0.17 -0.05 -0.36 0.24 0.00 0.00 174.94 174.87 1wi0 s PHE 105 N -2.53 0.85 -0.63 1.37 0.40 -0.20 -0.49 117.98 116.75 1wi0 s PHE 105 Ca 0.35 -0.26 -0.27 0.00 -0.60 0.00 0.00 56.93 56.15 1wi0 s PHE 105 Cb 0.01 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1wi0 s PHE 105 CO 0.20 -0.24 1.54 -1.25 0.70 0.00 0.00 175.22 176.17 1wi0 s PRO 106 N 1.09 3.03 -0.55 0.24 0.04 -1.26 -1.65 135.00 135.93 1wi0 s PRO 106 Ca -0.08 0.31 -0.27 0.00 0.04 0.00 0.00 61.00 61.00 1wi0 s PRO 106 Cb -0.14 -4.24 -0.10 0.00 0.04 0.00 0.00 34.50 30.07 1wi0 s PRO 106 CO -0.01 -2.28 2.44 0.54 0.04 0.00 0.00 177.00 177.73 1wi0 n ARG 107 N 9.07 0.93 -3.11 4.56 1.74 -0.17 -4.85 116.66 124.83 1wi0 n ARG 107 Ca 0.12 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1wi0 n ARG 107 Cb 0.50 -3.07 -0.06 0.00 -1.02 0.00 0.00 32.46 28.80 1wi0 n ARG 107 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wi0 s SER 108 N 11.26 6.53 0.00 0.55 1.04 -1.26 -3.86 113.70 127.96 1wi0 s SER 108 Ca 1.05 0.56 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1wi0 s SER 108 Cb -0.39 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1wi0 s SER 108 CO 0.31 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1wi0 n GLY 109 N 4.31 1.71 3.80 7.32 0.00 -1.26 -5.07 105.19 116.00 1wi0 n GLY 109 Ca -0.01 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1wi0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi0 s PRO 110 N -2.00 3.64 0.16 1.61 0.04 -1.26 -4.83 135.00 132.35 1wi0 s PRO 110 Ca 0.00 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1wi0 s PRO 110 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wi0 s PRO 110 CO 0.00 -0.56 0.00 0.43 0.04 0.00 0.00 177.00 176.91 1wi0 n SER 111 N -1.39 0.66 -0.08 6.66 7.64 -1.26 -4.97 113.62 120.87 1wi0 n SER 111 Ca 0.09 0.25 -0.07 0.00 1.01 0.00 0.00 58.87 60.15 1wi0 n SER 111 Cb 0.53 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1wi0 n SER 111 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wi0 n SER 112 N -3.46 1.87 0.00 6.43 2.88 -1.26 -5.31 113.62 114.78 1wi0 n SER 112 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1wi0 n SER 112 Cb 0.00 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1wi0 n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42