#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iby n HIS 2 N 0.00 0.49 -3.82 -0.32 1.44 -1.26 -5.03 115.22 106.72 1iby n HIS 2 Ca 0.00 0.17 -0.05 0.00 -2.01 0.00 0.00 57.72 55.83 1iby n HIS 2 Cb 0.00 -1.03 0.00 0.00 0.12 0.00 0.00 29.99 29.08 1iby n HIS 2 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1iby s ASN 3 N -5.65 -0.11 -0.02 4.39 6.03 -1.26 -4.79 114.94 113.52 1iby s ASN 3 Ca -0.07 -0.67 -0.03 0.00 -1.03 0.00 0.00 52.86 51.06 1iby s ASN 3 Cb 0.08 0.62 -0.04 0.00 -3.03 0.00 0.00 41.25 38.87 1iby s ASN 3 CO 0.83 -1.18 0.17 -0.36 -2.03 0.00 0.00 177.10 174.53 1iby s PHE 4 N -2.94 3.53 -0.23 1.54 0.08 0.15 -4.97 117.98 115.14 1iby s PHE 4 Ca 0.15 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.57 1iby s PHE 4 Cb -0.03 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1iby s PHE 4 CO 0.06 0.65 -0.13 -0.80 -0.10 0.00 0.00 175.22 174.90 1iby s ASN 5 N -1.80 3.90 -0.11 1.36 0.01 -1.26 0.85 114.94 117.89 1iby s ASN 5 Ca 0.25 -0.96 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1iby s ASN 5 Cb -0.12 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 39.99 1iby s ASN 5 CO 0.16 -0.10 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.75 1iby s VAL 6 N 1.23 1.90 -0.16 1.60 1.01 -0.07 -4.22 120.40 121.71 1iby s VAL 6 Ca -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1iby s VAL 6 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1iby s VAL 6 CO -0.08 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 1iby s VAL 7 N 0.56 3.65 -0.33 2.92 1.01 0.78 -0.70 120.40 128.28 1iby s VAL 7 Ca -0.14 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1iby s VAL 7 Cb -0.17 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1iby s VAL 7 CO 0.05 0.49 0.37 -0.63 0.00 0.00 0.00 175.10 175.37 1iby s ILE 8 N 0.50 5.17 0.09 2.22 1.01 0.10 -0.36 121.20 129.93 1iby s ILE 8 Ca -0.05 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1iby s ILE 8 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1iby s ILE 8 CO 0.03 -0.05 -0.26 0.20 0.00 0.00 0.00 174.94 174.86 1iby s ASN 9 N 1.72 3.30 -0.07 3.58 0.01 -0.21 -0.08 114.94 123.19 1iby s ASN 9 Ca 0.12 -0.67 -0.03 0.00 -0.71 0.00 0.00 52.86 51.57 1iby s ASN 9 Cb -0.16 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 1iby s ASN 9 CO 0.11 0.21 0.08 0.00 -1.51 0.00 0.00 177.10 175.99 1iby s ALA 10 N -0.96 3.59 -0.13 0.60 0.00 -1.26 -0.11 121.76 123.49 1iby s ALA 10 Ca 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1iby s ALA 10 Cb -0.10 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.37 1iby s ALA 10 CO 0.05 0.63 -0.06 0.71 0.00 0.00 0.00 175.76 177.09 1iby s TYR 11 N -1.03 1.48 -0.51 0.00 1.51 0.21 -4.98 117.35 114.03 1iby s TYR 11 Ca 0.17 -0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 55.37 1iby s TYR 11 Cb -0.12 -1.22 0.13 0.00 -0.11 0.00 0.00 41.96 40.64 1iby s TYR 11 CO 0.07 -0.54 0.34 0.34 -1.11 0.00 0.00 175.55 174.65 1iby s ASP 12 N 1.71 5.43 -0.22 2.29 -1.08 -1.26 -1.14 116.67 122.40 1iby s ASP 12 Ca 0.03 -2.28 -0.04 0.00 -0.52 0.00 0.00 52.55 49.74 1iby s ASP 12 Cb -0.14 -1.90 -0.01 0.00 -1.46 0.00 0.00 42.92 39.42 1iby s ASP 12 CO -0.08 -0.53 -0.04 -0.89 0.52 0.00 0.00 175.17 174.15 1iby s THR 13 N 0.79 3.41 -0.20 1.71 2.01 -0.01 -5.03 115.64 118.32 1iby s THR 13 Ca 0.11 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1iby s THR 13 Cb -0.22 -2.56 0.06 0.00 0.01 0.00 0.00 72.50 69.79 1iby s THR 13 CO -0.03 0.41 0.03 -0.89 -0.69 0.00 0.00 174.62 173.45 1iby s THR 14 N 1.48 0.65 -0.44 -0.82 2.01 -1.26 -0.78 115.64 116.48 1iby s THR 14 Ca 0.06 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1iby s THR 14 Cb -0.14 -1.14 0.14 0.00 0.01 0.00 0.00 72.50 71.36 1iby s THR 14 CO -0.03 -0.22 0.26 -0.63 -0.69 0.00 0.00 174.62 173.31 1iby s ILE 15 N 1.80 1.32 0.37 1.82 1.01 0.39 -4.98 121.20 122.92 1iby s ILE 15 Ca -0.01 -2.59 0.11 0.00 0.00 0.00 0.00 60.65 58.16 1iby s ILE 15 Cb -0.17 -1.92 0.33 0.00 0.01 0.00 0.00 42.46 40.71 1iby s ILE 15 CO -0.09 -0.93 1.87 -0.65 0.00 0.00 0.00 174.94 175.14 1iby h PRO 16 N 6.61 0.61 -2.22 2.79 0.11 -1.93 -0.40 132.00 137.57 1iby h PRO 16 Ca 0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1iby h PRO 16 Cb 0.92 -0.14 -0.22 0.00 0.11 0.00 0.00 31.00 31.67 1iby h PRO 16 CO 0.47 0.40 -0.03 -2.00 -0.21 0.00 0.00 178.00 176.64 1iby s GLU 17 N -5.62 0.68 -0.09 1.05 2.12 -1.26 0.45 118.70 116.01 1iby s GLU 17 Ca -0.10 0.96 -0.05 0.00 0.36 0.00 0.00 54.97 56.15 1iby s GLU 17 Cb 0.22 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.89 1iby s GLU 17 CO 0.79 -0.11 0.22 -1.17 -0.54 0.00 0.00 175.26 174.44 1iby s LEU 18 N 0.86 0.55 -0.20 2.70 1.98 0.43 -4.99 118.68 120.00 1iby s LEU 18 Ca -0.04 0.47 0.01 0.00 -2.89 0.00 0.00 54.13 51.67 1iby s LEU 18 Cb -0.05 0.65 0.05 0.00 0.66 0.00 0.00 46.19 47.50 1iby s LEU 18 CO -0.07 -0.15 -0.09 0.21 -1.89 0.00 0.00 176.35 174.36 1iby s ASN 19 N 1.14 3.43 -0.09 3.68 3.84 -1.26 -0.07 114.94 125.61 1iby s ASN 19 Ca -0.08 -0.93 0.02 0.00 0.21 0.00 0.00 52.86 52.08 1iby s ASN 19 Cb -0.10 -1.18 0.01 0.00 -0.55 0.00 0.00 41.25 39.43 1iby s ASN 19 CO -0.07 -0.17 -0.16 0.68 -2.79 0.00 0.00 177.10 174.59 1iby s VAL 20 N 1.42 1.52 -1.40 -5.21 -7.23 0.12 -4.72 120.40 104.90 1iby s VAL 20 Ca -0.02 -0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 1iby s VAL 20 Cb -0.17 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.47 1iby s VAL 20 CO -0.08 0.44 0.63 -0.62 -0.31 0.00 0.00 175.10 175.16 1iby n GLU 21 N 3.94 -4.14 -0.75 4.82 1.02 -1.26 -0.60 120.64 123.67 1iby n GLU 21 Ca -0.20 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1iby n GLU 21 Cb 0.52 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1iby n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iby n GLY 22 N -1.36 1.26 3.56 0.62 0.00 -1.26 -5.02 105.19 102.99 1iby n GLY 22 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1iby n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iby s VAL 23 N -3.65 4.80 -0.05 1.61 1.01 0.23 -5.08 120.40 119.28 1iby s VAL 23 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1iby s VAL 23 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1iby s VAL 23 CO 0.00 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.61 1iby s THR 24 N 1.23 4.58 0.01 3.92 2.01 -1.26 -0.70 115.64 125.43 1iby s THR 24 Ca 0.06 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1iby s THR 24 Cb -0.14 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1iby s THR 24 CO 0.05 0.48 -0.05 0.54 -0.69 0.00 0.00 174.62 174.95 1iby s VAL 25 N -1.04 0.37 0.17 3.82 0.11 0.89 -4.98 120.40 119.74 1iby s VAL 25 Ca 0.18 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1iby s VAL 25 Cb -0.12 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1iby s VAL 25 CO 0.08 -0.02 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.13 1iby s LYS 26 N -0.44 1.26 -1.34 1.54 1.02 -1.26 -0.43 119.74 120.09 1iby s LYS 26 Ca -0.01 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.50 1iby s LYS 26 Cb -0.04 -1.19 -0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1iby s LYS 26 CO -0.00 0.22 0.56 0.09 -0.92 0.00 0.00 175.35 175.30 1iby n ASN 27 N 0.06 -1.09 -4.69 2.83 3.02 0.17 -4.93 115.26 110.63 1iby n ASN 27 Ca -0.11 -0.93 -0.40 0.00 -0.03 0.00 0.00 54.58 53.10 1iby n ASN 27 Cb 0.58 -3.49 -0.05 0.00 -0.61 0.00 0.00 39.78 36.21 1iby n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iby s ILE 28 N -3.80 5.02 -0.29 2.41 1.01 -0.16 -4.95 121.20 120.44 1iby s ILE 28 Ca 0.04 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1iby s ILE 28 Cb -0.01 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.58 1iby s ILE 28 CO 0.86 0.18 0.33 -0.60 0.00 0.00 0.00 174.94 175.71 1iby s ARG 29 N 1.32 0.35 -0.05 2.79 6.06 -1.26 -0.46 118.95 127.69 1iby s ARG 29 Ca 0.34 -0.03 0.01 0.00 -2.50 0.00 0.00 55.73 53.55 1iby s ARG 29 Cb -0.17 -0.56 0.02 0.00 0.06 0.00 0.00 34.95 34.30 1iby s ARG 29 CO 0.14 -1.01 -0.05 0.00 -2.50 0.00 0.00 175.30 171.89 1iby s ALA 30 N 2.42 0.77 -0.16 6.12 0.00 0.04 -5.02 121.76 125.93 1iby s ALA 30 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1iby s ALA 30 Cb -0.14 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1iby s ALA 30 CO -0.31 -0.10 -0.19 0.12 0.00 0.00 0.00 175.76 175.28 1iby s PHE 31 N 1.11 2.60 0.10 0.00 5.36 -1.26 -0.83 117.98 125.05 1iby s PHE 31 Ca -0.08 -1.46 -0.07 0.00 -0.96 0.00 0.00 56.93 54.36 1iby s PHE 31 Cb -0.14 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.72 1iby s PHE 31 CO -0.01 -0.72 0.16 -0.80 -1.46 0.00 0.00 175.22 172.39 1iby s ASN 32 N 1.20 0.19 -0.09 6.13 0.01 -0.29 -4.80 114.94 117.28 1iby s ASN 32 Ca 0.01 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.40 1iby s ASN 32 Cb -0.14 0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.86 1iby s ASN 32 CO -0.09 -0.74 -0.19 -0.69 -1.51 0.00 0.00 177.10 173.88 1iby s VAL 33 N -3.91 1.69 0.08 1.60 1.01 -0.19 0.64 120.40 121.32 1iby s VAL 33 Ca 0.09 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1iby s VAL 33 Cb 0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1iby s VAL 33 CO -0.08 0.48 -0.23 -0.76 0.00 0.00 0.00 175.10 174.51 1iby s LEU 34 N 0.49 2.24 -0.23 3.92 1.43 0.84 -2.14 118.68 125.23 1iby s LEU 34 Ca -0.17 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 1iby s LEU 34 Cb -0.17 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1iby s LEU 34 CO 0.07 0.14 0.36 0.20 0.23 0.00 0.00 176.35 177.35 1iby s ASN 35 N -1.61 6.33 -0.23 2.29 -0.87 -1.26 -1.04 114.94 118.55 1iby s ASN 35 Ca 0.09 0.38 0.01 0.00 -1.57 0.00 0.00 52.86 51.77 1iby s ASN 35 Cb -0.10 -2.21 0.05 0.00 -0.02 0.00 0.00 41.25 38.98 1iby s ASN 35 CO 0.03 -0.10 -0.07 -1.61 -2.57 0.00 0.00 177.10 172.78 1iby s GLU 36 N 1.58 1.81 0.70 -0.60 2.02 0.51 -1.78 118.70 122.93 1iby s GLU 36 Ca 0.16 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 54.06 1iby s GLU 36 Cb -0.15 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1iby s GLU 36 CO 0.08 -0.54 1.08 -1.25 0.02 0.00 0.00 175.26 174.65 1iby s PRO 37 N 1.37 2.93 0.05 0.39 0.04 -1.26 -0.16 135.00 138.36 1iby s PRO 37 Ca -0.05 0.60 0.11 0.00 0.04 0.00 0.00 61.00 61.71 1iby s PRO 37 Cb -0.18 -2.02 -0.19 0.00 0.04 0.00 0.00 34.50 32.15 1iby s PRO 37 CO -0.07 -1.01 0.95 0.93 0.04 0.00 0.00 177.00 177.84 1iby h GLU 38 N -0.64 0.00 -5.52 4.56 5.08 -1.74 -3.46 114.58 112.86 1iby h GLU 38 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1iby h GLU 38 Cb 1.24 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.27 1iby h GLU 38 CO 0.62 0.65 -0.69 0.99 -1.00 0.00 0.00 179.01 179.58 1iby s THR 39 N -2.70 3.70 -0.12 1.13 2.01 -1.26 -1.44 115.64 116.97 1iby s THR 39 Ca -0.02 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1iby s THR 39 Cb 0.09 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1iby s THR 39 CO 0.82 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 174.32 1iby s LEU 40 N 0.06 1.94 -0.15 4.42 1.43 0.16 -4.96 118.68 121.57 1iby s LEU 40 Ca -0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1iby s LEU 40 Cb -0.14 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1iby s LEU 40 CO 0.03 0.07 -0.21 -0.69 0.23 0.00 0.00 176.35 175.79 1iby s VAL 41 N 0.77 2.13 0.31 -1.59 1.01 -1.26 0.14 120.40 121.91 1iby s VAL 41 Ca -0.10 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1iby s VAL 41 Cb -0.16 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1iby s VAL 41 CO 0.01 0.54 0.11 0.68 0.00 0.00 0.00 175.10 176.44 1iby s VAL 42 N 0.96 0.63 0.02 2.92 -7.23 0.13 -4.97 120.40 112.86 1iby s VAL 42 Ca -0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1iby s VAL 42 Cb -0.15 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1iby s VAL 42 CO -0.05 0.00 0.17 -0.54 -0.31 0.00 0.00 175.10 174.37 1iby s LYS 43 N -3.88 3.35 0.12 4.82 1.02 -1.26 -0.92 119.74 122.98 1iby s LYS 43 Ca 0.34 -0.41 -0.34 0.00 0.02 0.00 0.00 55.97 55.59 1iby s LYS 43 Cb 0.06 -3.02 -0.14 0.00 -0.52 0.00 0.00 37.83 34.21 1iby s LYS 43 CO 0.15 0.64 1.59 1.17 -0.92 0.00 0.00 175.35 177.99 1iby n LYS 44 N 0.74 2.05 0.00 1.68 4.81 0.16 -1.15 118.16 126.44 1iby n LYS 44 Ca -0.09 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1iby n LYS 44 Cb 0.52 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1iby n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iby n GLY 45 N 3.45 3.05 3.77 3.14 0.00 0.25 -4.99 105.19 113.86 1iby n GLY 45 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1iby n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iby n ASP 46 N 0.00 3.70 -4.45 1.61 10.43 -0.30 -4.67 116.55 122.86 1iby n ASP 46 Ca 0.00 1.20 -0.44 0.00 2.57 0.00 0.00 54.79 58.12 1iby n ASP 46 Cb 0.00 -1.62 -0.03 0.00 1.84 0.00 0.00 41.12 41.31 1iby n ASP 46 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1iby s ALA 47 N -1.14 3.34 0.15 2.24 0.00 -1.26 -1.32 121.76 123.77 1iby s ALA 47 Ca 0.56 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.53 1iby s ALA 47 Cb -0.46 -4.03 -0.08 0.00 0.00 0.00 0.00 23.12 18.55 1iby s ALA 47 CO 0.62 -2.96 1.22 0.08 0.00 0.00 0.00 175.76 174.72 1iby s VAL 48 N 2.82 3.62 -0.16 0.00 1.01 0.35 -4.91 120.40 123.13 1iby s VAL 48 Ca 0.32 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1iby s VAL 48 Cb -0.06 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1iby s VAL 48 CO -0.08 0.17 -0.08 -0.54 0.00 0.00 0.00 175.10 174.58 1iby s LYS 49 N 0.18 1.65 -0.26 2.72 -0.14 -1.26 -1.69 119.74 120.94 1iby s LYS 49 Ca 0.55 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 1iby s LYS 49 Cb -0.33 -2.00 0.04 0.00 -1.68 0.00 0.00 37.83 33.87 1iby s LYS 49 CO 0.35 -0.37 -0.07 0.08 -0.76 0.00 0.00 175.35 174.57 1iby s VAL 50 N 1.59 2.61 -0.58 3.17 1.01 0.81 0.34 120.40 129.35 1iby s VAL 50 Ca 0.02 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 1iby s VAL 50 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1iby s VAL 50 CO -0.08 0.08 0.86 -0.69 0.00 0.00 0.00 175.10 175.27 1iby s VAL 51 N 1.23 4.51 -0.33 2.92 1.01 0.25 0.03 120.40 130.02 1iby s VAL 51 Ca -0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1iby s VAL 51 Cb -0.18 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1iby s VAL 51 CO -0.05 -1.16 0.26 -0.69 0.00 0.00 0.00 175.10 173.46 1iby s VAL 52 N 3.58 5.27 -0.25 2.92 1.01 0.30 -0.89 120.40 132.35 1iby s VAL 52 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1iby s VAL 52 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1iby s VAL 52 CO 0.13 0.01 0.12 -0.70 0.00 0.00 0.00 175.10 174.66 1iby s GLU 53 N 1.78 3.81 -0.56 2.72 2.12 0.12 -0.57 118.70 128.11 1iby s GLU 53 Ca 0.07 -0.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.79 1iby s GLU 53 Cb -0.17 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.84 1iby s GLU 53 CO 0.11 -0.13 0.78 1.21 -0.54 0.00 0.00 175.26 176.68 1iby s ASN 54 N 1.53 6.23 0.00 -1.70 3.04 0.27 -0.72 114.94 123.58 1iby s ASN 54 Ca 0.06 -0.90 0.22 0.00 0.04 0.00 0.00 52.86 52.28 1iby s ASN 54 Cb -0.15 -2.35 0.53 0.00 -1.54 0.00 0.00 41.25 37.74 1iby s ASN 54 CO 0.06 -1.12 1.45 0.29 -3.04 0.00 0.00 177.10 174.74 1iby n LYS 55 N 6.79 2.42 -2.39 0.43 5.02 0.88 0.22 118.16 131.53 1iby n LYS 55 Ca -0.05 -2.17 -0.33 0.00 -2.02 0.00 0.00 58.31 53.74 1iby n LYS 55 Cb 0.45 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1iby n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iby s SER 56 N -1.30 6.20 0.56 4.39 0.15 -1.00 -4.52 113.70 118.19 1iby s SER 56 Ca 0.40 1.87 0.36 0.00 0.70 0.00 0.00 55.95 59.28 1iby s SER 56 Cb 0.22 -2.55 1.71 0.00 -1.71 0.00 0.00 66.02 63.69 1iby s SER 56 CO 0.30 -0.88 2.09 -0.65 1.20 0.00 0.00 173.24 175.30 1iby h PRO 57 N 1.19 0.00 -5.25 5.44 0.11 -1.94 -3.36 132.00 128.19 1iby h PRO 57 Ca -0.49 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 1iby h PRO 57 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 1iby h PRO 57 CO 0.59 0.00 -0.58 0.96 -0.21 0.00 0.00 178.00 178.76 1iby s ILE 58 N -3.80 1.19 0.39 4.15 -4.36 -1.26 -4.77 121.20 112.74 1iby s ILE 58 Ca -0.01 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.11 1iby s ILE 58 Cb 0.10 -2.68 -0.11 0.00 1.25 0.00 0.00 42.46 41.03 1iby s ILE 58 CO 0.46 0.00 1.38 -1.20 0.24 0.00 0.00 174.94 175.82 1iby n SER 59 N -0.90 3.17 -4.27 4.36 7.64 -1.26 -4.00 113.62 118.35 1iby n SER 59 Ca -0.05 1.18 -0.23 0.00 1.01 0.00 0.00 58.87 60.78 1iby n SER 59 Cb 0.66 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.19 1iby n SER 59 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1iby s GLU 60 N -2.12 1.08 0.12 1.43 0.41 -0.01 -4.93 118.70 114.68 1iby s GLU 60 Ca 0.57 -1.15 0.04 0.00 -0.41 0.00 0.00 54.97 54.02 1iby s GLU 60 Cb -0.50 -1.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 1iby s GLU 60 CO 0.61 0.29 0.11 0.20 -0.49 0.00 0.00 175.26 175.98 1iby s GLY 61 N -1.96 1.86 -0.22 -1.39 0.00 -1.26 0.28 107.32 104.62 1iby s GLY 61 Ca 0.06 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1iby s GLY 61 CO 0.04 -1.11 0.21 -0.12 0.00 0.00 0.00 173.10 172.11 1iby s PHE 62 N -1.58 -0.17 0.04 1.90 5.36 -0.37 -4.18 117.98 118.96 1iby s PHE 62 Ca 0.30 -0.05 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 1iby s PHE 62 Cb -0.11 -0.49 -0.02 0.00 -0.34 0.00 0.00 43.02 42.06 1iby s PHE 62 CO 0.23 -0.67 -0.17 -1.12 -1.46 0.00 0.00 175.22 172.02 1iby s SER 63 N 2.28 2.01 -0.34 6.13 0.01 0.18 -0.71 113.70 123.26 1iby s SER 63 Ca 0.07 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1iby s SER 63 Cb -0.15 -0.16 0.14 0.00 0.21 0.00 0.00 66.02 66.06 1iby s SER 63 CO -0.18 0.10 0.27 -0.63 0.41 0.00 0.00 173.24 173.21 1iby s ILE 64 N -0.77 -0.16 0.25 1.44 1.01 0.42 -1.10 121.20 122.29 1iby s ILE 64 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1iby s ILE 64 Cb -0.08 -0.91 0.22 0.00 0.01 0.00 0.00 42.46 41.70 1iby s ILE 64 CO 0.01 -0.72 1.75 0.44 0.00 0.00 0.00 174.94 176.43 1iby h ASP 65 N 7.44 0.42 -0.26 3.58 3.32 -1.79 -1.57 116.42 127.56 1iby h ASP 65 Ca -0.01 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1iby h ASP 65 Cb 1.02 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1iby h ASP 65 CO 0.28 0.19 0.29 0.00 -1.72 0.00 0.00 179.24 178.27 1iby h ALA 66 N 1.53 1.90 -0.03 3.45 0.00 -1.93 -1.46 119.26 122.72 1iby h ALA 66 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1iby h ALA 66 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1iby h ALA 66 CO -0.36 -0.42 -0.21 1.19 0.00 0.00 0.00 179.25 179.45 1iby n PHE 67 N -3.74 0.10 -2.14 0.00 3.01 -0.88 -4.97 117.46 108.84 1iby n PHE 67 Ca 0.04 -1.23 -0.17 0.00 1.01 0.00 0.00 57.45 57.10 1iby n PHE 67 Cb 0.43 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1iby n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iby n GLY 68 N -1.25 0.16 3.65 1.37 0.00 -0.55 -4.94 105.19 103.63 1iby n GLY 68 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1iby n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iby s VAL 69 N -2.75 4.94 -0.36 1.61 1.01 -0.65 -4.97 120.40 119.24 1iby s VAL 69 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1iby s VAL 69 Cb 0.00 -4.01 0.16 0.00 0.00 0.00 0.00 36.38 32.53 1iby s VAL 69 CO 0.00 0.02 0.46 -1.58 0.00 0.00 0.00 175.10 174.00 1iby s GLN 70 N 2.38 0.62 0.20 2.72 0.74 -1.25 -0.43 119.66 124.64 1iby s GLN 70 Ca 0.31 -0.38 0.10 0.00 0.05 0.00 0.00 55.36 55.44 1iby s GLN 70 Cb -0.16 -0.36 -0.04 0.00 1.10 0.00 0.00 33.01 33.55 1iby s GLN 70 CO 0.09 -1.15 -0.15 -1.21 -0.55 0.00 0.00 175.29 172.32 1iby s GLU 71 N 1.89 1.84 -0.18 1.67 0.41 0.12 -4.98 118.70 119.47 1iby s GLU 71 Ca 0.14 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 1iby s GLU 71 Cb -0.11 -2.00 0.04 0.00 -1.78 0.00 0.00 34.13 30.27 1iby s GLU 71 CO -0.13 0.41 -0.09 0.08 -0.49 0.00 0.00 175.26 175.04 1iby s VAL 72 N -1.83 1.47 -0.25 2.63 1.01 -1.26 -1.24 120.40 120.93 1iby s VAL 72 Ca 0.24 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1iby s VAL 72 Cb -0.08 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1iby s VAL 72 CO 0.14 0.20 0.08 -0.63 0.00 0.00 0.00 175.10 174.89 1iby s ILE 73 N 1.48 4.43 0.66 2.22 1.09 0.14 -4.91 121.20 126.32 1iby s ILE 73 Ca 0.00 -0.13 -0.17 0.00 -1.10 0.00 0.00 60.65 59.25 1iby s ILE 73 Cb -0.15 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.17 1iby s ILE 73 CO -0.08 0.34 1.21 -0.54 -0.10 0.00 0.00 174.94 175.76 1iby s LYS 74 N 1.57 2.55 0.19 2.79 1.02 -1.26 -0.83 119.74 125.77 1iby s LYS 74 Ca 0.06 1.77 -0.33 0.00 0.02 0.00 0.00 55.97 57.50 1iby s LYS 74 Cb -0.15 -1.88 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 1iby s LYS 74 CO 0.04 -1.52 1.55 0.00 -0.92 0.00 0.00 175.35 174.50 1iby n ALA 75 N -2.20 1.48 -0.73 5.17 0.00 -1.26 -0.79 120.51 122.18 1iby n ALA 75 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iby n ALA 75 Cb 0.50 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1iby n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iby n GLY 76 N 3.07 1.48 3.92 0.00 0.00 0.13 -5.01 105.19 108.78 1iby n GLY 76 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1iby n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iby s GLU 77 N -0.02 3.55 -0.10 1.61 2.12 0.03 -4.85 118.70 121.04 1iby s GLU 77 Ca 0.00 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1iby s GLU 77 Cb 0.00 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1iby s GLU 77 CO 0.00 0.37 -0.20 0.99 -0.54 0.00 0.00 175.26 175.88 1iby s THR 78 N -1.90 1.80 -0.03 -1.70 2.01 -1.26 -0.57 115.64 114.00 1iby s THR 78 Ca 0.40 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1iby s THR 78 Cb -0.11 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1iby s THR 78 CO 0.29 0.50 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.82 1iby s LYS 79 N 0.55 1.38 -0.23 4.92 2.20 0.26 -4.97 119.74 123.86 1iby s LYS 79 Ca -0.15 -0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 54.77 1iby s LYS 79 Cb -0.17 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 1iby s LYS 79 CO 0.05 0.26 0.42 0.99 -0.36 0.00 0.00 175.35 176.71 1iby s THR 80 N -0.12 5.16 -0.23 3.43 2.01 -1.26 -0.53 115.64 124.10 1iby s THR 80 Ca 0.01 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 1iby s THR 80 Cb -0.08 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1iby s THR 80 CO 0.01 0.19 0.06 -0.63 -0.69 0.00 0.00 174.62 173.56 1iby s ILE 81 N 1.71 4.37 -0.04 1.82 1.01 0.10 -4.93 121.20 125.24 1iby s ILE 81 Ca 0.19 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1iby s ILE 81 Cb -0.15 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1iby s ILE 81 CO 0.09 0.37 -0.19 -0.94 0.00 0.00 0.00 174.94 174.27 1iby s SER 82 N 1.28 2.37 0.11 3.58 1.04 -1.26 -0.13 113.70 120.69 1iby s SER 82 Ca 0.05 -0.39 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 1iby s SER 82 Cb -0.15 -0.61 0.08 0.00 0.10 0.00 0.00 66.02 65.45 1iby s SER 82 CO 0.03 0.18 0.70 0.72 0.98 0.00 0.00 173.24 175.86 1iby s PHE 83 N -0.07 -0.47 -0.24 5.02 -0.71 -0.68 -5.03 117.98 115.79 1iby s PHE 83 Ca -0.02 0.28 -0.10 0.00 -1.04 0.00 0.00 56.93 56.05 1iby s PHE 83 Cb -0.11 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 1iby s PHE 83 CO 0.02 -0.75 0.14 0.99 -1.34 0.00 0.00 175.22 174.28 1iby s THR 84 N -3.54 5.09 -1.29 -4.49 2.01 -1.26 -0.49 115.64 111.67 1iby s THR 84 Ca 0.02 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1iby s THR 84 Cb -0.01 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.14 1iby s THR 84 CO -0.11 0.33 1.95 0.00 -0.69 0.00 0.00 174.62 176.10 1iby n ALA 85 N 4.49 4.02 1.62 7.40 0.00 -0.43 -4.69 120.51 132.92 1iby n ALA 85 Ca -0.15 -3.72 0.09 0.00 0.00 0.00 0.00 53.44 49.65 1iby n ALA 85 Cb 0.52 -3.57 0.40 0.00 0.00 0.00 0.00 19.45 16.80 1iby n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iby n ASP 86 N 8.19 0.78 -3.82 0.00 3.85 -1.26 0.86 116.55 125.15 1iby n ASP 86 Ca 0.50 -1.63 -0.18 0.00 -0.71 0.00 0.00 54.79 52.77 1iby n ASP 86 Cb 0.43 -0.06 -0.16 0.00 -1.35 0.00 0.00 41.12 39.98 1iby n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1iby s LYS 87 N -1.88 0.39 0.43 0.11 1.02 -1.26 -4.81 119.74 113.73 1iby s LYS 87 Ca 0.27 0.06 -0.21 0.00 0.02 0.00 0.00 55.97 56.10 1iby s LYS 87 Cb 0.13 -0.57 -0.11 0.00 -0.52 0.00 0.00 37.83 36.77 1iby s LYS 87 CO 0.21 -0.14 0.95 0.00 -0.92 0.00 0.00 175.35 175.45 1iby s ALA 88 N 1.10 3.04 0.00 5.17 0.00 -1.26 -4.75 121.76 125.06 1iby s ALA 88 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1iby s ALA 88 Cb -0.14 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1iby s ALA 88 CO -0.02 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1iby n GLY 89 N -0.55 0.34 3.05 0.00 0.00 0.38 -4.94 105.19 103.47 1iby n GLY 89 Ca 0.07 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 1iby n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iby s ALA 90 N -1.00 1.64 -0.07 4.61 0.00 -1.26 -0.30 121.76 125.38 1iby s ALA 90 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1iby s ALA 90 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1iby s ALA 90 CO 0.00 -0.05 -0.09 -0.06 0.00 0.00 0.00 175.76 175.56 1iby s PHE 91 N 0.94 1.30 0.18 0.00 0.40 0.41 -4.97 117.98 116.24 1iby s PHE 91 Ca -0.08 -0.50 -0.31 0.00 -0.60 0.00 0.00 56.93 55.44 1iby s PHE 91 Cb -0.15 -1.01 -0.10 0.00 0.51 0.00 0.00 43.02 42.27 1iby s PHE 91 CO -0.01 -0.31 1.52 0.99 0.70 0.00 0.00 175.22 178.12 1iby s THR 92 N 0.97 2.66 -0.33 0.64 2.01 -1.26 0.27 115.64 120.61 1iby s THR 92 Ca -0.09 0.50 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 1iby s THR 92 Cb -0.15 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1iby s THR 92 CO 0.00 0.05 0.23 -0.63 -0.69 0.00 0.00 174.62 173.58 1iby s ILE 93 N 0.83 5.25 0.14 1.82 1.01 -0.12 -4.38 121.20 125.75 1iby s ILE 93 Ca 0.67 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.12 1iby s ILE 93 Cb -0.43 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1iby s ILE 93 CO 0.34 0.02 0.04 -1.66 0.00 0.00 0.00 174.94 173.69 1iby s TRP 94 N 1.72 0.94 -0.29 3.97 1.48 -0.26 0.47 118.94 126.97 1iby s TRP 94 Ca 0.06 -1.19 -0.14 0.00 -1.06 0.00 0.00 56.10 53.77 1iby s TRP 94 Cb -0.17 -0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 31.57 1iby s TRP 94 CO 0.10 -0.45 0.34 0.00 -4.06 0.00 0.00 176.95 172.89 1iby n GLN 96 N 5.30 1.14 -0.06 0.00 0.00 -1.26 -3.74 117.38 118.76 1iby n GLN 96 Ca -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 57.00 56.68 1iby n GLN 96 Cb 0.51 -1.42 -0.14 0.00 0.00 0.00 0.00 30.24 29.19 1iby n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1iby n LEU 97 N -0.68 0.00 -4.36 2.61 4.77 -1.26 -5.05 117.00 113.03 1iby n LEU 97 Ca 0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 1iby n LEU 97 Cb 0.14 0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1iby n LEU 97 CO 0.15 0.26 -0.38 -1.00 -1.33 0.00 0.00 177.39 175.09 1iby s HIS 98 N -2.74 1.70 0.14 -1.77 3.76 -1.25 -5.09 115.29 110.04 1iby s HIS 98 Ca -0.08 -0.74 -0.34 0.00 -0.15 0.00 0.00 55.06 53.75 1iby s HIS 98 Cb 0.08 -0.92 -0.14 0.00 1.11 0.00 0.00 32.58 32.71 1iby s HIS 98 CO 0.72 0.19 1.57 -2.30 -0.85 0.00 0.00 174.74 174.07 1iby n PRO 99 N -0.44 2.03 0.34 8.40 -0.02 -1.26 -4.80 135.00 139.24 1iby n PRO 99 Ca -0.07 0.73 0.22 0.00 -2.02 0.00 0.00 63.50 62.37 1iby n PRO 99 Cb 0.62 -2.49 1.20 0.00 -0.02 0.00 0.00 33.50 32.81 1iby n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iby h LYS 100 N 5.96 0.00 -0.47 -0.52 1.57 -1.88 -0.99 116.57 120.24 1iby h LYS 100 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1iby h LYS 100 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1iby h LYS 100 CO 0.88 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 180.03 1iby n ASN 101 N -3.12 3.17 -0.08 0.86 6.94 -1.26 -3.49 115.26 118.29 1iby n ASN 101 Ca -0.03 -1.96 -0.14 0.00 -0.02 0.00 0.00 54.58 52.43 1iby n ASN 101 Cb 0.08 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.14 1iby n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1iby n ILE 102 N 1.26 1.26 -3.34 1.53 2.08 -0.47 -4.74 119.36 116.94 1iby n ILE 102 Ca 0.20 -0.04 -0.46 0.00 0.56 0.00 0.00 62.75 63.01 1iby n ILE 102 Cb 0.53 -1.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.44 1iby n ILE 102 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1iby s HIS 103 N -2.50 3.57 0.35 1.39 2.46 -0.63 -1.02 115.29 118.90 1iby s HIS 103 Ca -0.24 -1.76 -0.29 0.00 0.47 0.00 0.00 55.06 53.24 1iby s HIS 103 Cb 0.07 -3.79 -0.11 0.00 -0.13 0.00 0.00 32.58 28.62 1iby s HIS 103 CO 0.33 -1.00 1.50 -0.51 -2.47 0.00 0.00 174.74 172.60 1iby s LEU 104 N 0.69 4.33 0.76 8.88 1.43 -0.91 -4.44 118.68 129.43 1iby s LEU 104 Ca 0.12 2.99 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 1iby s LEU 104 Cb -0.18 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1iby s LEU 104 CO -0.04 -0.86 1.10 -2.84 0.23 0.00 0.00 176.35 173.93 1iby s PRO 105 N -1.61 2.36 0.00 1.29 0.02 -1.26 -4.51 135.00 131.30 1iby s PRO 105 Ca 0.55 0.60 0.00 0.00 0.02 0.00 0.00 61.00 62.17 1iby s PRO 105 Cb -0.46 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1iby s PRO 105 CO 0.58 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 1iby n GLY 106 N -2.38 6.56 3.11 0.52 0.00 0.18 -4.94 105.19 108.24 1iby n GLY 106 Ca 0.07 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1iby n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iby s THR 107 N 0.04 0.01 -0.28 2.61 2.01 -0.52 -0.95 115.64 118.57 1iby s THR 107 Ca 0.00 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1iby s THR 107 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1iby s THR 107 CO 0.00 -0.05 0.04 -0.22 -0.69 0.00 0.00 174.62 173.70 1iby s LEU 108 N -0.09 3.60 -0.21 4.42 2.96 0.14 -0.66 118.68 128.84 1iby s LEU 108 Ca -0.02 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 1iby s LEU 108 Cb -0.02 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1iby s LEU 108 CO 0.01 -0.15 0.05 0.20 -1.32 0.00 0.00 176.35 175.14 1iby s ASN 109 N 1.47 5.32 -0.33 3.68 0.01 0.12 -0.45 114.94 124.77 1iby s ASN 109 Ca 0.03 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.08 1iby s ASN 109 Cb -0.17 -1.92 0.06 0.00 0.41 0.00 0.00 41.25 39.63 1iby s ASN 109 CO 0.01 0.09 0.06 -0.69 -1.51 0.00 0.00 177.10 175.05 1iby s VAL 110 N 0.89 3.22 0.28 1.60 1.01 0.59 -0.69 120.40 127.30 1iby s VAL 110 Ca 0.03 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1iby s VAL 110 Cb -0.14 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1iby s VAL 110 CO 0.02 -0.22 0.49 0.68 0.00 0.00 0.00 175.10 176.08 1iby s VAL 111 N 1.27 5.12 -2.00 2.92 -7.23 -0.10 -0.47 120.40 119.91 1iby s VAL 111 Ca -0.02 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1iby s VAL 111 Cb -0.20 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 32.96 1iby s VAL 111 CO -0.01 -0.35 0.50 -0.62 -0.31 0.00 0.00 175.10 174.31