#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncl n ASN 7 N 0.00 0.65 -1.40 6.55 5.03 -1.26 -3.63 115.26 121.20 1ncl n ASN 7 Ca 0.00 -1.36 0.09 0.00 0.87 0.00 0.00 54.58 54.17 1ncl n ASN 7 Cb 0.00 -0.02 0.32 0.00 -1.02 0.00 0.00 39.78 39.06 1ncl n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ncl n LYS 8 N -0.43 3.60 -2.04 3.52 5.02 -1.26 -3.58 118.16 123.00 1ncl n LYS 8 Ca 0.19 -2.80 -0.39 0.00 -2.02 0.00 0.00 58.31 53.28 1ncl n LYS 8 Cb 0.19 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1ncl n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ncl s GLU 9 N -1.92 3.81 0.07 1.97 2.12 -1.22 -4.74 118.70 118.79 1ncl s GLU 9 Ca 0.47 2.12 0.06 0.00 0.36 0.00 0.00 54.97 57.98 1ncl s GLU 9 Cb 0.31 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 1ncl s GLU 9 CO 0.21 -0.61 -0.17 1.03 -0.54 0.00 0.00 175.26 175.18 1ncl s ARG 10 N -2.41 0.98 0.09 4.30 0.52 -1.26 -0.26 118.95 120.90 1ncl s ARG 10 Ca 0.60 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 1ncl s ARG 10 Cb -0.37 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1ncl s ARG 10 CO 0.47 0.25 -0.09 -0.08 0.02 0.00 0.00 175.30 175.87 1ncl s THR 11 N -1.13 0.79 -0.18 0.02 -1.32 -0.06 -4.70 115.64 109.05 1ncl s THR 11 Ca 0.02 -1.60 -0.07 0.00 -1.21 0.00 0.00 61.69 58.83 1ncl s THR 11 Cb -0.10 -1.29 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 1ncl s THR 11 CO 0.03 -0.61 0.04 0.12 -2.21 0.00 0.00 174.62 171.99 1ncl s PHE 12 N -2.54 3.20 0.02 9.09 5.36 -1.26 -1.25 117.98 130.59 1ncl s PHE 12 Ca 0.04 -0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.04 1ncl s PHE 12 Cb -0.02 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1ncl s PHE 12 CO -0.01 0.09 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.16 1ncl s LEU 13 N 0.42 2.11 -0.05 6.12 1.43 0.10 -1.48 118.68 127.35 1ncl s LEU 13 Ca 0.02 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1ncl s LEU 13 Cb -0.13 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1ncl s LEU 13 CO 0.01 0.14 0.04 0.00 0.23 0.00 0.00 176.35 176.77 1ncl s ALA 14 N -0.65 0.35 -0.42 4.21 0.00 -0.25 0.50 121.76 125.50 1ncl s ALA 14 Ca 0.05 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.84 1ncl s ALA 14 Cb -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1ncl s ALA 14 CO 0.01 -0.43 1.08 0.08 0.00 0.00 0.00 175.76 176.50 1ncl s VAL 15 N 1.97 4.36 1.08 0.00 1.01 0.27 -0.08 120.40 129.02 1ncl s VAL 15 Ca 0.03 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.22 1ncl s VAL 15 Cb -0.12 -4.50 0.23 0.00 0.00 0.00 0.00 36.38 31.99 1ncl s VAL 15 CO -0.03 -0.78 1.08 -0.54 0.00 0.00 0.00 175.10 174.82 1ncl s LYS 16 N 4.04 -0.27 0.45 2.72 1.02 0.29 -2.17 119.74 125.83 1ncl s LYS 16 Ca 0.45 0.45 0.21 0.00 0.02 0.00 0.00 55.97 57.11 1ncl s LYS 16 Cb -0.09 -1.66 1.20 0.00 -0.52 0.00 0.00 37.83 36.75 1ncl s LYS 16 CO 0.25 -3.19 1.87 -1.35 -0.92 0.00 0.00 175.35 172.01 1ncl h PRO 17 N -2.22 0.28 -0.20 -1.68 0.11 -1.86 -0.55 132.00 125.89 1ncl h PRO 17 Ca -0.55 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.40 1ncl h PRO 17 Cb 1.33 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ncl h PRO 17 CO 0.53 0.19 -0.46 0.38 -0.21 0.00 0.00 178.00 178.42 1ncl h ASP 18 N 0.29 0.54 -0.30 -2.05 2.03 -1.88 -1.19 116.42 113.86 1ncl h ASP 18 Ca 0.45 -0.26 -0.16 0.00 -0.73 0.00 0.00 57.03 56.33 1ncl h ASP 18 Cb 1.30 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1ncl h ASP 18 CO -0.13 0.92 -0.44 1.23 -1.03 0.00 0.00 179.24 179.79 1ncl h GLY 19 N 1.11 0.91 0.82 7.15 0.00 -1.28 -0.38 103.07 111.41 1ncl h GLY 19 Ca 0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.32 1ncl h GLY 19 CO 0.09 0.91 0.03 -2.08 0.00 0.00 0.00 176.54 175.49 1ncl h VAL 20 N 0.61 1.21 -0.16 4.60 2.07 -1.34 -1.48 116.25 121.76 1ncl h VAL 20 Ca 0.03 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1ncl h VAL 20 Cb 1.05 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ncl h VAL 20 CO 0.10 0.20 -0.03 0.00 0.02 0.00 0.00 177.57 177.86 1ncl h ALA 21 N 0.82 1.65 -0.24 1.67 0.00 -1.14 -2.02 119.26 120.01 1ncl h ALA 21 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ncl h ALA 21 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ncl h ALA 21 CO 0.00 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.05 1ncl n ARG 22 N -4.37 1.61 -3.25 0.00 1.74 -0.16 -4.94 116.66 107.30 1ncl n ARG 22 Ca -0.01 -0.94 -0.16 0.00 -0.77 0.00 0.00 57.85 55.97 1ncl n ARG 22 Cb 0.19 -1.25 0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1ncl n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ncl n GLY 23 N 0.96 -0.13 0.62 -0.13 0.00 -0.76 -4.94 105.19 100.80 1ncl n GLY 23 Ca 0.11 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1ncl n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ncl n LEU 24 N -3.67 2.53 0.01 0.99 4.77 -0.57 -4.68 117.00 116.37 1ncl n LEU 24 Ca -0.04 -1.45 -0.10 0.00 -0.03 0.00 0.00 56.01 54.39 1ncl n LEU 24 Cb 0.56 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1ncl n LEU 24 CO 0.46 0.56 0.80 0.58 -1.33 0.00 0.00 177.39 178.47 1ncl h VAL 25 N 2.45 0.74 -0.51 4.08 2.07 -1.88 -0.73 116.25 122.47 1ncl h VAL 25 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1ncl h VAL 25 Cb 0.64 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ncl h VAL 25 CO 0.00 0.00 -0.12 1.23 0.02 0.00 0.00 177.57 178.70 1ncl h GLY 26 N -0.12 1.07 1.00 2.17 0.00 -1.97 -1.36 103.07 103.87 1ncl h GLY 26 Ca 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1ncl h GLY 26 CO -0.16 0.81 0.44 -2.09 0.00 0.00 0.00 176.54 175.54 1ncl h GLU 27 N 0.85 0.97 -0.10 4.80 4.57 -1.80 0.68 114.58 124.55 1ncl h GLU 27 Ca 0.13 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1ncl h GLU 27 Cb 0.69 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ncl h GLU 27 CO 0.05 0.68 -0.04 0.82 -1.18 0.00 0.00 179.01 179.34 1ncl h ILE 28 N 0.98 1.31 -0.51 2.32 2.04 -0.95 -2.48 117.51 120.23 1ncl h ILE 28 Ca 0.26 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1ncl h ILE 28 Cb -0.05 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1ncl h ILE 28 CO -0.05 0.29 0.33 0.40 0.00 0.00 0.00 178.15 179.13 1ncl h ILE 29 N -0.14 1.13 -0.88 -0.67 2.04 -1.11 -2.45 117.51 115.44 1ncl h ILE 29 Ca 0.02 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1ncl h ILE 29 Cb 0.48 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1ncl h ILE 29 CO 0.01 0.12 0.57 0.00 0.00 0.00 0.00 178.15 178.86 1ncl h ALA 30 N 1.19 1.60 -0.59 1.87 0.00 -0.82 -0.90 119.26 121.60 1ncl h ALA 30 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ncl h ALA 30 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ncl h ALA 30 CO -0.04 0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.74 1ncl h ARG 31 N 0.93 0.82 0.09 0.00 3.08 -0.95 -0.93 114.38 117.41 1ncl h ARG 31 Ca 0.39 -0.10 -0.26 0.00 0.07 0.00 0.00 59.98 60.09 1ncl h ARG 31 Cb 0.31 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ncl h ARG 31 CO -0.16 0.63 -1.14 1.88 -1.07 0.00 0.00 179.97 180.11 1ncl h TYR 32 N 0.83 0.47 -0.38 3.04 0.05 -1.23 -2.79 116.97 116.94 1ncl h TYR 32 Ca 0.21 -0.32 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 1ncl h TYR 32 Cb 0.07 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1ncl h TYR 32 CO 0.01 1.21 -0.18 0.93 -1.05 0.00 0.00 178.16 179.08 1ncl h GLU 33 N 0.10 0.72 -0.34 4.88 5.08 -0.99 -2.46 114.58 121.57 1ncl h GLU 33 Ca -0.11 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1ncl h GLU 33 Cb 1.85 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1ncl h GLU 33 CO 0.19 0.86 -0.21 0.87 -1.00 0.00 0.00 179.01 179.71 1ncl h LYS 34 N 0.64 0.66 -0.05 2.33 1.57 -1.17 -2.63 116.57 117.92 1ncl h LYS 34 Ca 0.10 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1ncl h LYS 34 Cb 0.66 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1ncl h LYS 34 CO 0.05 0.82 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.42 1ncl h LYS 35 N 0.58 0.08 0.00 3.15 1.63 -1.23 -3.47 116.57 117.31 1ncl h LYS 35 Ca 0.09 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ncl h LYS 35 Cb 0.68 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1ncl h LYS 35 CO 0.05 0.19 0.00 0.41 -3.45 0.00 0.00 179.45 176.65 1ncl n GLY 36 N -1.14 0.99 3.79 5.01 0.00 -0.99 -5.10 105.19 107.75 1ncl n GLY 36 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1ncl n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ncl s PHE 37 N -2.00 3.19 -0.21 1.61 0.08 -0.95 -4.86 117.98 114.83 1ncl s PHE 37 Ca 0.00 1.62 -0.09 0.00 0.12 0.00 0.00 56.93 58.58 1ncl s PHE 37 Cb 0.00 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 1ncl s PHE 37 CO 0.00 -0.58 0.11 0.08 -0.10 0.00 0.00 175.22 174.74 1ncl s VAL 38 N -1.87 5.07 -0.17 -0.44 1.01 -0.15 -4.41 120.40 119.44 1ncl s VAL 38 Ca 0.62 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1ncl s VAL 38 Cb -0.17 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1ncl s VAL 38 CO 0.22 0.40 1.52 -0.22 0.00 0.00 0.00 175.10 177.01 1ncl s LEU 39 N 0.77 4.07 -0.02 3.92 2.96 -1.26 -0.99 118.68 128.13 1ncl s LEU 39 Ca 0.06 1.76 0.11 0.00 -0.22 0.00 0.00 54.13 55.84 1ncl s LEU 39 Cb -0.13 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 1ncl s LEU 39 CO 0.02 -1.04 0.24 0.52 -1.32 0.00 0.00 176.35 174.77 1ncl n VAL 40 N 5.90 0.00 -3.64 1.68 0.31 -0.20 -4.93 118.33 117.46 1ncl n VAL 40 Ca 0.17 -0.25 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1ncl n VAL 40 Cb 0.45 0.25 -0.08 0.00 -0.91 0.00 0.00 33.84 33.55 1ncl n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ncl s GLY 41 N -3.27 -0.41 -0.29 2.92 0.00 -1.12 -0.87 107.32 104.29 1ncl s GLY 41 Ca -0.04 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 45.65 1ncl s GLY 41 CO 0.46 0.88 0.93 -2.27 0.00 0.00 0.00 173.10 173.10 1ncl s LEU 42 N -0.70 -0.58 -0.20 0.66 2.96 -1.26 -1.81 118.68 117.75 1ncl s LEU 42 Ca -0.08 0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 54.51 1ncl s LEU 42 Cb -0.03 1.90 0.13 0.00 0.50 0.00 0.00 46.19 48.69 1ncl s LEU 42 CO 0.05 -0.15 1.04 -1.59 -1.32 0.00 0.00 176.35 174.38 1ncl s LYS 43 N 1.18 0.52 -0.01 1.98 -2.85 -0.76 -5.02 119.74 114.78 1ncl s LYS 43 Ca -0.07 0.25 -0.11 0.00 -1.00 0.00 0.00 55.97 55.03 1ncl s LYS 43 Cb -0.04 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 1ncl s LYS 43 CO -0.14 -0.14 0.34 -1.14 0.10 0.00 0.00 175.35 174.37 1ncl s GLN 44 N -0.73 3.75 0.16 1.78 0.74 -1.26 -1.07 119.66 123.03 1ncl s GLN 44 Ca 0.00 0.20 -0.22 0.00 0.05 0.00 0.00 55.36 55.39 1ncl s GLN 44 Cb -0.02 -3.15 0.07 0.00 1.10 0.00 0.00 33.01 31.01 1ncl s GLN 44 CO -0.02 0.68 0.59 -0.48 -0.55 0.00 0.00 175.29 175.51 1ncl s LEU 45 N -1.32 -0.50 -0.37 3.68 2.34 0.36 -4.94 118.68 117.92 1ncl s LEU 45 Ca 0.24 -0.04 -0.10 0.00 0.06 0.00 0.00 54.13 54.29 1ncl s LEU 45 Cb -0.15 2.56 0.03 0.00 -0.56 0.00 0.00 46.19 48.07 1ncl s LEU 45 CO 0.13 -0.98 0.18 -0.69 -1.06 0.00 0.00 176.35 173.93 1ncl s VAL 46 N -3.76 4.35 0.35 1.48 1.01 -1.26 0.73 120.40 123.31 1ncl s VAL 46 Ca 0.01 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1ncl s VAL 46 Cb -0.01 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 1ncl s VAL 46 CO -0.12 -0.24 1.48 -2.84 0.00 0.00 0.00 175.10 173.38 1ncl s PRO 47 N 1.51 4.15 0.61 2.72 0.02 -1.26 -5.02 135.00 137.72 1ncl s PRO 47 Ca 0.01 2.52 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 1ncl s PRO 47 Cb -0.19 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1ncl s PRO 47 CO 0.06 -0.50 0.93 0.95 -0.33 0.00 0.00 177.00 178.10 1ncl s THR 48 N -0.92 3.63 0.26 0.99 -4.23 -1.26 -4.52 115.64 109.59 1ncl s THR 48 Ca 0.54 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1ncl s THR 48 Cb -0.46 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.19 1ncl s THR 48 CO 0.59 -0.49 1.91 0.50 -0.54 0.00 0.00 174.62 176.59 1ncl h LYS 49 N -0.25 1.22 -0.55 3.99 3.64 -1.95 -1.72 116.57 120.94 1ncl h LYS 49 Ca -0.45 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1ncl h LYS 49 Cb 1.26 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1ncl h LYS 49 CO 0.61 0.81 0.25 -0.44 -2.27 0.00 0.00 179.45 178.41 1ncl h ASP 50 N 1.25 0.73 -0.39 4.20 3.32 -1.99 0.45 116.42 123.99 1ncl h ASP 50 Ca 0.40 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1ncl h ASP 50 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1ncl h ASP 50 CO -0.13 0.67 0.02 0.25 -1.72 0.00 0.00 179.24 178.33 1ncl h LEU 51 N 0.75 0.67 0.09 1.55 5.85 -1.83 -2.12 115.31 120.25 1ncl h LEU 51 Ca 0.19 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ncl h LEU 51 Cb 0.14 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ncl h LEU 51 CO -0.02 0.80 -0.11 0.00 -0.34 0.00 0.00 178.44 178.76 1ncl h ALA 52 N 0.89 -0.20 -0.28 1.25 0.00 -1.08 0.24 119.26 120.08 1ncl h ALA 52 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ncl h ALA 52 Cb 0.44 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ncl h ALA 52 CO 0.02 -0.63 0.11 0.93 0.00 0.00 0.00 179.25 179.68 1ncl h GLU 53 N -0.24 0.39 -0.17 0.00 5.08 -0.89 -1.08 114.58 117.67 1ncl h GLU 53 Ca 0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1ncl h GLU 53 Cb 0.24 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ncl h GLU 53 CO -0.05 0.33 -0.62 1.03 -1.00 0.00 0.00 179.01 178.70 1ncl h SER 54 N 0.39 0.84 -0.46 1.42 0.87 -0.88 -0.63 113.55 115.10 1ncl h SER 54 Ca 0.10 -0.60 0.02 0.00 -1.23 0.00 0.00 61.79 60.08 1ncl h SER 54 Cb 0.08 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 1ncl h SER 54 CO -0.01 1.30 0.26 -0.74 -0.53 0.00 0.00 176.83 177.11 1ncl h HIS 55 N 0.42 0.49 -0.56 2.24 -0.00 0.40 -2.56 115.15 115.59 1ncl h HIS 55 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1ncl h HIS 55 Cb 1.24 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1ncl h HIS 55 CO 0.09 0.27 0.00 0.66 -0.00 0.00 0.00 177.93 178.96 1ncl n TYR 56 N -4.85 1.56 -0.33 5.26 4.01 -0.50 -4.63 117.16 117.68 1ncl n TYR 56 Ca 0.03 -0.58 0.22 0.00 -0.16 0.00 0.00 57.90 57.40 1ncl n TYR 56 Cb 0.08 -0.32 0.44 0.00 -0.31 0.00 0.00 39.34 39.22 1ncl n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ncl h ALA 57 N 3.92 1.81 -0.13 -0.72 0.00 -0.67 0.46 119.26 123.93 1ncl h ALA 57 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ncl h ALA 57 Cb 1.53 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1ncl h ALA 57 CO 0.30 -0.57 0.36 1.05 0.00 0.00 0.00 179.25 180.40 1ncl h GLU 58 N 0.28 0.00 -0.35 0.00 4.11 -1.84 0.26 114.58 117.05 1ncl h GLU 58 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.13 1ncl h GLU 58 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1ncl h GLU 58 CO -0.63 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.17 1ncl n HIS 59 N -3.18 0.45 0.32 2.06 8.25 0.16 -4.61 115.22 118.68 1ncl n HIS 59 Ca 0.01 -0.37 0.14 0.00 -0.26 0.00 0.00 57.72 57.24 1ncl n HIS 59 Cb 0.45 -0.01 0.75 0.00 1.12 0.00 0.00 29.99 32.30 1ncl n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1ncl h LYS 60 N 2.77 0.00 -0.01 -0.41 2.10 -0.43 0.44 116.57 121.04 1ncl h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ncl h LYS 60 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1ncl h LYS 60 CO 0.00 0.00 -0.51 0.39 -2.00 0.00 0.00 179.45 177.33 1ncl n GLU 61 N -2.79 0.71 -3.11 0.07 4.71 -1.26 -4.91 120.64 114.06 1ncl n GLU 61 Ca -0.02 -0.53 -0.27 0.00 -0.01 0.00 0.00 57.16 56.33 1ncl n GLU 61 Cb 0.39 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.31 1ncl n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ncl s ARG 62 N -2.65 3.59 0.25 3.49 1.81 0.16 -5.01 118.95 120.59 1ncl s ARG 62 Ca 0.17 0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.25 1ncl s ARG 62 Cb 0.18 -2.55 0.30 0.00 -0.45 0.00 0.00 34.95 32.43 1ncl s ARG 62 CO 0.63 0.06 1.61 -1.00 -0.68 0.00 0.00 175.30 175.92 1ncl h PRO 63 N 1.03 0.34 0.00 3.54 0.13 -1.91 -3.01 132.00 132.13 1ncl h PRO 63 Ca -0.48 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1ncl h PRO 63 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ncl h PRO 63 CO 0.64 0.76 0.00 1.97 -0.23 0.00 0.00 178.00 181.13 1ncl n PHE 64 N -3.97 0.00 -0.23 1.56 -1.74 -1.26 -3.21 117.46 108.62 1ncl n PHE 64 Ca -0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.86 1ncl n PHE 64 Cb 0.55 -0.25 0.10 0.00 1.52 0.00 0.00 39.48 41.40 1ncl n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 1ncl h PHE 65 N 0.00 0.65 -0.59 2.97 3.57 -1.73 -1.63 116.94 120.18 1ncl h PHE 65 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ncl h PHE 65 Cb 0.18 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1ncl h PHE 65 CO 0.00 0.30 0.35 0.78 -2.23 0.00 0.00 178.31 177.51 1ncl h GLY 66 N 0.65 0.85 1.81 2.40 0.00 -1.79 -1.65 103.07 105.35 1ncl h GLY 66 Ca 0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1ncl h GLY 66 CO -0.19 0.21 -0.20 -1.33 0.00 0.00 0.00 176.54 175.02 1ncl h GLY 67 N 0.69 0.24 0.66 4.60 0.00 -1.60 -1.40 103.07 106.26 1ncl h GLY 67 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ncl h GLY 67 CO -0.12 0.16 -0.00 1.41 0.00 0.00 0.00 176.54 177.99 1ncl h LEU 68 N 0.21 0.02 -0.21 3.11 3.38 -0.54 -2.43 115.31 118.85 1ncl h LEU 68 Ca 0.04 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1ncl h LEU 68 Cb 0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1ncl h LEU 68 CO 0.03 0.36 0.10 0.58 0.09 0.00 0.00 178.44 179.61 1ncl h VAL 69 N -0.33 0.99 -0.78 1.22 2.07 -1.15 -2.50 116.25 115.77 1ncl h VAL 69 Ca 0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1ncl h VAL 69 Cb 0.36 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ncl h VAL 69 CO 0.00 0.04 0.52 0.28 0.02 0.00 0.00 177.57 178.43 1ncl h SER 70 N 0.21 0.89 -0.17 0.57 0.02 -1.28 -2.76 113.55 111.04 1ncl h SER 70 Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1ncl h SER 70 Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ncl h SER 70 CO -0.06 0.65 -0.01 0.15 -1.14 0.00 0.00 176.83 176.42 1ncl h PHE 71 N 1.05 0.33 0.00 3.45 3.57 -1.21 -2.08 116.94 122.05 1ncl h PHE 71 Ca 0.29 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ncl h PHE 71 Cb -0.12 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1ncl h PHE 71 CO -0.02 0.52 -0.04 0.97 -2.23 0.00 0.00 178.31 177.51 1ncl h ILE 72 N 0.04 0.14 -0.17 1.41 2.10 -1.39 0.17 117.51 119.80 1ncl h ILE 72 Ca 0.05 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1ncl h ILE 72 Cb 0.39 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 1ncl h ILE 72 CO 0.01 0.04 0.00 0.35 -1.08 0.00 0.00 178.15 177.47 1ncl n THR 73 N -3.20 0.20 0.85 2.19 -2.24 -1.05 -4.26 114.28 106.77 1ncl n THR 73 Ca -0.01 -0.55 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1ncl n THR 73 Cb 0.26 1.10 0.53 0.00 -2.10 0.00 0.00 70.33 70.12 1ncl n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ncl n SER 74 N 1.18 0.04 -2.68 3.42 3.41 0.58 -4.78 113.62 114.79 1ncl n SER 74 Ca 0.17 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.27 1ncl n SER 74 Cb 0.55 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1ncl n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ncl n GLY 75 N 1.10 0.67 3.73 5.00 0.00 -1.26 -5.10 105.19 109.33 1ncl n GLY 75 Ca 0.06 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1ncl n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ncl s PRO 76 N -2.03 2.41 0.01 1.61 0.04 -1.26 -4.43 135.00 131.35 1ncl s PRO 76 Ca 0.17 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1ncl s PRO 76 Cb -0.01 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ncl s PRO 76 CO 0.02 -1.62 -0.08 0.08 0.04 0.00 0.00 177.00 175.44 1ncl s VAL 77 N -1.92 0.63 -0.36 -0.36 1.01 0.22 -3.70 120.40 115.92 1ncl s VAL 77 Ca 0.74 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1ncl s VAL 77 Cb -0.29 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1ncl s VAL 77 CO 0.42 0.07 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 1ncl s VAL 78 N -0.41 3.96 -0.04 2.92 1.01 -0.92 -0.49 120.40 126.43 1ncl s VAL 78 Ca 0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 1ncl s VAL 78 Cb -0.04 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1ncl s VAL 78 CO -0.00 -0.24 0.36 0.00 0.00 0.00 0.00 175.10 175.22 1ncl s ALA 79 N 1.43 3.70 0.08 5.51 0.00 -0.24 -0.56 121.76 131.67 1ncl s ALA 79 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1ncl s ALA 79 Cb -0.20 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1ncl s ALA 79 CO 0.03 0.43 0.24 0.00 0.00 0.00 0.00 175.76 176.46 1ncl s MET 80 N -0.81 0.84 -0.09 0.00 0.23 0.18 -1.82 119.30 117.83 1ncl s MET 80 Ca 0.22 -0.78 0.02 0.00 -1.03 0.00 0.00 55.69 54.12 1ncl s MET 80 Cb -0.16 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1ncl s MET 80 CO 0.11 -0.27 -0.14 0.08 -2.03 0.00 0.00 175.02 172.76 1ncl s VAL 81 N -3.37 1.38 0.07 5.16 1.01 -0.75 -0.72 120.40 123.18 1ncl s VAL 81 Ca 0.01 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1ncl s VAL 81 Cb 0.02 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1ncl s VAL 81 CO -0.08 0.42 -0.12 -0.36 0.00 0.00 0.00 175.10 174.95 1ncl s PHE 82 N 0.87 2.72 0.04 5.22 0.08 -0.38 -1.03 117.98 125.49 1ncl s PHE 82 Ca -0.10 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1ncl s PHE 82 Cb -0.15 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1ncl s PHE 82 CO 0.01 0.37 -0.23 -2.00 -0.10 0.00 0.00 175.22 173.27 1ncl s GLU 83 N -1.84 1.57 0.00 0.44 2.12 -0.16 -0.88 118.70 119.94 1ncl s GLU 83 Ca 0.19 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1ncl s GLU 83 Cb -0.11 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.59 1ncl s GLU 83 CO 0.10 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 1ncl n GLY 84 N 1.88 2.24 3.71 -1.50 0.00 0.65 -0.97 105.19 111.20 1ncl n GLY 84 Ca -0.17 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1ncl n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ncl s LYS 85 N -2.00 4.19 -1.35 1.61 2.20 -1.25 -2.93 119.74 120.21 1ncl s LYS 85 Ca 0.00 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1ncl s LYS 85 Cb 0.00 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1ncl s LYS 85 CO 0.00 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1ncl n GLY 86 N 3.87 -0.01 0.28 5.54 0.00 -1.26 -4.85 105.19 108.75 1ncl n GLY 86 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1ncl n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ncl h VAL 87 N 0.00 1.14 -0.17 1.61 3.04 -1.83 -0.52 116.25 119.52 1ncl h VAL 87 Ca -0.34 -0.48 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 1ncl h VAL 87 Cb 1.19 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1ncl h VAL 87 CO 0.42 0.17 0.05 0.58 -1.01 0.00 0.00 177.57 177.79 1ncl h VAL 88 N 0.42 1.19 0.01 1.51 2.07 -1.86 0.22 116.25 119.80 1ncl h VAL 88 Ca 0.10 -0.58 -0.26 0.00 0.82 0.00 0.00 66.70 66.79 1ncl h VAL 88 Cb 0.15 1.24 0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1ncl h VAL 88 CO -0.01 0.18 -1.01 0.00 0.02 0.00 0.00 177.57 176.75 1ncl h ALA 89 N 0.87 0.11 -0.32 1.67 0.00 -1.85 -3.01 119.26 116.73 1ncl h ALA 89 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1ncl h ALA 89 Cb 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ncl h ALA 89 CO -0.00 0.65 0.17 1.03 0.00 0.00 0.00 179.25 181.10 1ncl h SER 90 N 0.34 0.26 -0.36 0.00 0.87 -1.04 -0.80 113.55 112.81 1ncl h SER 90 Ca -0.13 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1ncl h SER 90 Cb 1.67 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1ncl h SER 90 CO 0.20 0.19 0.05 0.00 -0.53 0.00 0.00 176.83 176.74 1ncl h ALA 91 N 1.16 1.25 -0.69 6.23 0.00 -0.64 -0.58 119.26 125.99 1ncl h ALA 91 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ncl h ALA 91 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ncl h ALA 91 CO -0.09 0.51 0.25 0.00 0.00 0.00 0.00 179.25 179.92 1ncl h ARG 92 N 0.67 1.05 -0.61 0.00 3.08 -1.30 -1.14 114.38 116.13 1ncl h ARG 92 Ca 0.14 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1ncl h ARG 92 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ncl h ARG 92 CO 0.01 0.89 0.07 1.25 -1.07 0.00 0.00 179.97 181.11 1ncl h LEU 93 N 0.99 0.97 -1.12 3.04 5.85 -0.32 -2.14 115.31 122.59 1ncl h LEU 93 Ca 0.23 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1ncl h LEU 93 Cb 0.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1ncl h LEU 93 CO -0.01 0.99 -0.35 0.24 -0.34 0.00 0.00 178.44 178.97 1ncl h MET 94 N 0.95 0.00 -0.04 1.25 2.86 -0.74 -3.18 114.93 116.03 1ncl h MET 94 Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1ncl h MET 94 Cb 0.46 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1ncl h MET 94 CO 0.02 0.35 -0.34 0.82 1.06 0.00 0.00 176.91 178.82 1ncl h ILE 95 N 0.00 1.45 0.00 -1.22 2.04 -0.94 0.53 117.51 119.37 1ncl h ILE 95 Ca -0.00 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1ncl h ILE 95 Cb 0.79 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1ncl h ILE 95 CO 0.05 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1ncl n GLY 96 N 0.82 -0.60 3.97 5.37 0.00 -0.83 -0.61 105.19 113.32 1ncl n GLY 96 Ca -0.09 -2.23 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 1ncl n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ncl s VAL 97 N -0.29 2.53 0.24 1.61 -7.23 -1.26 -4.79 120.40 111.20 1ncl s VAL 97 Ca 0.00 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1ncl s VAL 97 Cb 0.00 -2.90 0.21 0.00 0.56 0.00 0.00 36.38 34.26 1ncl s VAL 97 CO 0.00 0.00 1.71 0.74 -0.31 0.00 0.00 175.10 177.24 1ncl h THR 98 N -0.09 0.59 -3.58 5.32 2.02 -1.98 -3.36 112.91 111.83 1ncl h THR 98 Ca -0.41 -0.12 -0.64 0.00 0.77 0.00 0.00 66.41 66.02 1ncl h THR 98 Cb 1.29 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.79 1ncl h THR 98 CO 0.50 0.06 0.20 0.21 0.37 0.00 0.00 175.52 176.86 1ncl s ASN 99 N -5.29 6.40 0.48 4.18 3.04 -1.26 -4.61 114.94 117.87 1ncl s ASN 99 Ca -0.13 -0.04 0.21 0.00 0.04 0.00 0.00 52.86 52.94 1ncl s ASN 99 Cb 0.20 -2.34 1.22 0.00 -1.54 0.00 0.00 41.25 38.79 1ncl s ASN 99 CO 0.76 -0.73 1.95 -0.65 -3.04 0.00 0.00 177.10 175.38 1ncl h PRO 100 N 8.70 0.21 0.00 0.43 0.11 -1.84 -0.11 132.00 139.50 1ncl h PRO 100 Ca -0.26 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1ncl h PRO 100 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ncl h PRO 100 CO 0.89 0.14 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.63 1ncl h LEU 101 N 0.22 0.00 -0.29 2.35 3.38 -1.75 -2.03 115.31 117.19 1ncl h LEU 101 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ncl h LEU 101 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ncl h LEU 101 CO -0.07 0.12 -0.73 0.00 0.09 0.00 0.00 178.44 177.85 1ncl n ALA 102 N -2.22 4.14 -1.93 1.53 0.00 -0.09 -4.92 120.51 117.01 1ncl n ALA 102 Ca -0.01 -0.55 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 1ncl n ALA 102 Cb 0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1ncl n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ncl s SER 103 N -2.83 7.50 0.41 0.00 0.01 -0.76 -4.86 113.70 113.16 1ncl s SER 103 Ca 0.12 1.97 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 1ncl s SER 103 Cb 0.17 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.71 1ncl s SER 103 CO 0.74 0.00 1.06 0.00 0.41 0.00 0.00 173.24 175.45 1ncl s ALA 104 N -0.72 3.08 0.43 1.44 0.00 -1.26 -4.16 121.76 120.56 1ncl s ALA 104 Ca 0.44 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 1ncl s ALA 104 Cb -0.27 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1ncl s ALA 104 CO 0.33 -0.26 1.02 0.41 0.00 0.00 0.00 175.76 177.26 1ncl n GLY 105 N 0.34 -0.18 0.00 0.00 0.00 -1.26 -1.85 105.19 102.24 1ncl n GLY 105 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ncl n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncl n GLY 106 N 1.17 2.97 3.76 -0.02 0.00 -1.26 -4.96 105.19 106.85 1ncl n GLY 106 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1ncl n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ncl s SER 107 N -1.40 5.12 0.09 1.61 1.04 -0.77 -4.99 113.70 114.40 1ncl s SER 107 Ca 0.00 -0.45 -0.26 0.00 0.48 0.00 0.00 55.95 55.73 1ncl s SER 107 Cb 0.00 -1.12 -0.15 0.00 0.10 0.00 0.00 66.02 64.85 1ncl s SER 107 CO 0.00 -0.09 1.70 0.40 0.98 0.00 0.00 173.24 176.24 1ncl h ILE 108 N 1.59 0.78 0.00 -1.02 2.04 -0.80 -0.65 117.51 119.44 1ncl h ILE 108 Ca -0.46 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1ncl h ILE 108 Cb 1.25 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1ncl h ILE 108 CO 0.61 0.00 -0.52 0.03 0.00 0.00 0.00 178.15 178.26 1ncl h ARG 109 N -0.26 0.00 -0.36 2.37 3.08 -1.11 -1.52 114.38 116.58 1ncl h ARG 109 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1ncl h ARG 109 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ncl h ARG 109 CO 0.01 0.52 -0.29 0.78 -1.07 0.00 0.00 179.97 179.92 1ncl h GLY 110 N 1.68 0.83 1.76 0.04 0.00 -1.64 -1.36 103.07 104.38 1ncl h GLY 110 Ca -0.01 -0.76 -0.24 0.00 0.00 0.00 0.00 47.33 46.32 1ncl h GLY 110 CO 0.07 0.69 -1.16 -0.55 0.00 0.00 0.00 176.54 175.58 1ncl h ASP 111 N 0.65 0.15 0.00 0.19 3.32 -0.95 -3.42 116.42 116.36 1ncl h ASP 111 Ca 0.08 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ncl h ASP 111 Cb 0.82 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1ncl h ASP 111 CO 0.07 1.13 0.00 0.49 -1.72 0.00 0.00 179.24 179.21 1ncl n PHE 112 N -3.39 0.00 -4.44 4.55 3.72 -0.59 -5.08 117.46 112.24 1ncl n PHE 112 Ca -0.05 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.11 1ncl n PHE 112 Cb 0.98 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.43 1ncl n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ncl s GLY 113 N -0.44 1.92 0.00 1.37 0.00 -0.52 -5.01 107.32 104.64 1ncl s GLY 113 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1ncl s GLY 113 CO 0.00 -1.93 0.00 -0.62 0.00 0.00 0.00 173.10 170.55 1ncl n VAL 114 N -0.73 0.00 -4.95 1.40 0.31 -1.26 -4.26 118.33 108.83 1ncl n VAL 114 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 1ncl n VAL 114 Cb 0.61 -0.06 -0.16 0.00 -0.91 0.00 0.00 33.84 33.31 1ncl n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ncl s ASP 115 N -1.15 2.42 0.25 4.52 2.15 -1.26 -4.33 116.67 119.27 1ncl s ASP 115 Ca 0.00 -0.40 -0.03 0.00 0.43 0.00 0.00 52.55 52.54 1ncl s ASP 115 Cb 0.00 -0.72 0.47 0.00 -0.30 0.00 0.00 42.92 42.37 1ncl s ASP 115 CO 0.00 0.17 1.75 0.58 -0.17 0.00 0.00 175.17 177.50 1ncl h VAL 116 N 5.27 0.70 0.00 1.11 2.07 -1.96 -0.17 116.25 123.26 1ncl h VAL 116 Ca -0.31 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ncl h VAL 116 Cb 1.18 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1ncl h VAL 116 CO 0.48 0.09 0.00 1.23 0.02 0.00 0.00 177.57 179.39 1ncl h GLY 117 N 0.52 0.00 -5.83 2.17 0.00 -1.96 -3.17 103.07 94.80 1ncl h GLY 117 Ca 0.43 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.20 1ncl h GLY 117 CO -0.38 0.00 -0.91 0.54 0.00 0.00 0.00 176.54 175.80 1ncl n ARG 118 N -2.42 1.86 -0.97 4.80 5.12 -0.10 -4.92 116.66 120.04 1ncl n ARG 118 Ca 0.02 -4.02 -0.11 0.00 -1.93 0.00 0.00 57.85 51.82 1ncl n ARG 118 Cb 0.24 -1.86 0.24 0.00 -1.16 0.00 0.00 32.46 29.92 1ncl n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ncl n ASN 119 N 0.47 4.26 0.00 0.55 0.23 -1.07 -4.29 115.26 115.41 1ncl n ASN 119 Ca 0.27 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.13 1ncl n ASN 119 Cb 0.51 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1ncl n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ncl n ILE 120 N -0.37 0.00 -4.01 1.53 5.41 -1.26 -4.83 119.36 115.83 1ncl n ILE 120 Ca 0.42 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.09 1ncl n ILE 120 Cb 1.36 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 40.19 1ncl n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1ncl s ILE 121 N 0.00 0.16 -0.03 1.39 2.07 -1.26 -0.55 121.20 122.99 1ncl s ILE 121 Ca 0.00 -1.36 0.07 0.00 -1.41 0.00 0.00 60.65 57.95 1ncl s ILE 121 Cb 0.00 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1ncl s ILE 121 CO 0.00 -0.75 -0.23 -2.28 -1.91 0.00 0.00 174.94 169.77 1ncl s HIS 122 N -2.88 2.41 -0.02 3.50 5.65 0.88 -4.89 115.29 119.95 1ncl s HIS 122 Ca -0.03 -0.38 0.01 0.00 0.25 0.00 0.00 55.06 54.91 1ncl s HIS 122 Cb 0.00 -1.53 0.01 0.00 -1.18 0.00 0.00 32.58 29.88 1ncl s HIS 122 CO -0.06 0.01 -0.03 0.20 -0.65 0.00 0.00 174.74 174.20 1ncl s GLY 123 N -0.63 0.25 0.45 1.59 0.00 -1.26 -1.09 107.32 106.63 1ncl s GLY 123 Ca 0.10 -0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.50 1ncl s GLY 123 CO -0.01 0.11 1.06 1.44 0.00 0.00 0.00 173.10 175.70 1ncl n SER 124 N 3.40 1.47 -0.10 1.64 7.64 -0.55 -4.90 113.62 122.23 1ncl n SER 124 Ca -0.18 1.01 0.12 0.00 1.01 0.00 0.00 58.87 60.83 1ncl n SER 124 Cb 0.55 -1.39 0.18 0.00 -1.01 0.00 0.00 64.21 62.55 1ncl n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ncl n ASP 125 N 0.24 0.85 -3.69 6.43 5.75 -1.26 -4.82 116.55 120.04 1ncl n ASP 125 Ca 0.09 -0.65 -0.09 0.00 -0.01 0.00 0.00 54.79 54.13 1ncl n ASP 125 Cb 0.40 0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 40.86 1ncl n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ncl s SER 126 N -2.84 -0.35 0.34 -1.12 1.04 -1.26 -4.95 113.70 104.55 1ncl s SER 126 Ca 0.14 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1ncl s SER 126 Cb 0.18 0.65 0.61 0.00 0.10 0.00 0.00 66.02 67.55 1ncl s SER 126 CO 0.68 -1.15 1.97 0.58 0.98 0.00 0.00 173.24 176.29 1ncl h VAL 127 N 2.05 1.17 -0.06 5.02 2.07 -1.92 0.16 116.25 124.75 1ncl h VAL 127 Ca -0.26 -0.44 -0.23 0.00 0.82 0.00 0.00 66.70 66.59 1ncl h VAL 127 Cb 1.27 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ncl h VAL 127 CO 0.32 0.19 -0.88 -0.33 0.02 0.00 0.00 177.57 176.89 1ncl h GLU 128 N 0.78 0.57 -0.03 1.57 3.07 -1.97 -0.05 114.58 118.53 1ncl h GLU 128 Ca 0.20 -0.54 -0.13 0.00 -0.50 0.00 0.00 59.36 58.39 1ncl h GLU 128 Cb 0.03 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1ncl h GLU 128 CO -0.03 1.16 -0.60 0.66 -1.40 0.00 0.00 179.01 178.81 1ncl h SER 129 N 0.36 0.11 -0.46 1.42 4.64 -1.87 -1.83 113.55 115.93 1ncl h SER 129 Ca -0.07 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1ncl h SER 129 Cb 1.50 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 1ncl h SER 129 CO 0.16 0.68 0.21 0.00 -0.87 0.00 0.00 176.83 177.01 1ncl h ALA 130 N 1.32 0.59 -0.53 5.18 0.00 -0.30 0.38 119.26 125.88 1ncl h ALA 130 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ncl h ALA 130 Cb 1.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ncl h ALA 130 CO 0.08 0.17 0.02 -0.91 0.00 0.00 0.00 179.25 178.61 1ncl h ASN 131 N 0.60 0.87 -0.19 0.00 2.35 -0.84 0.05 115.58 118.40 1ncl h ASN 131 Ca 0.16 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1ncl h ASN 131 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1ncl h ASN 131 CO -0.02 0.92 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.44 1ncl h ARG 132 N 0.83 0.44 -0.46 0.81 2.43 -1.07 -2.70 114.38 114.66 1ncl h ARG 132 Ca 0.16 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1ncl h ARG 132 Cb 0.47 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1ncl h ARG 132 CO 0.02 0.77 0.02 0.93 -1.51 0.00 0.00 179.97 180.20 1ncl h GLU 133 N 0.11 0.79 -0.25 0.20 5.08 -0.82 -0.81 114.58 118.88 1ncl h GLU 133 Ca 0.04 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1ncl h GLU 133 Cb 0.67 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1ncl h GLU 133 CO 0.04 0.84 0.14 0.82 -1.00 0.00 0.00 179.01 179.85 1ncl h ILE 134 N 0.64 1.02 0.00 3.13 2.04 -1.06 0.25 117.51 123.54 1ncl h ILE 134 Ca 0.13 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ncl h ILE 134 Cb 0.47 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1ncl h ILE 134 CO 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 178.15 178.14 1ncl h ALA 135 N 1.11 1.09 0.02 1.87 0.00 -1.36 0.10 119.26 122.09 1ncl h ALA 135 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ncl h ALA 135 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ncl h ALA 135 CO -0.05 0.11 -0.14 1.25 0.00 0.00 0.00 179.25 180.42 1ncl h LEU 136 N 0.00 0.09 0.00 0.00 6.46 0.30 -3.38 115.31 118.78 1ncl h LEU 136 Ca -0.00 -0.95 -0.01 0.00 -0.12 0.00 0.00 57.88 56.79 1ncl h LEU 136 Cb 0.45 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1ncl h LEU 136 CO 0.01 1.03 -0.66 -0.50 -0.62 0.00 0.00 178.44 177.71 1ncl h TRP 137 N -0.85 0.00 -4.17 1.25 4.06 -0.41 -3.47 115.95 112.37 1ncl h TRP 137 Ca -0.02 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.40 1ncl h TRP 137 Cb 1.08 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.94 1ncl h TRP 137 CO 0.25 0.04 -0.83 -0.06 -3.56 0.00 0.00 178.44 174.29 1ncl s PHE 138 N -3.28 1.47 0.46 0.49 0.40 0.34 -5.08 117.98 112.78 1ncl s PHE 138 Ca 0.02 -0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 55.83 1ncl s PHE 138 Cb 0.08 -0.96 -0.10 0.00 0.51 0.00 0.00 43.02 42.55 1ncl s PHE 138 CO 0.75 -0.06 1.00 0.15 0.70 0.00 0.00 175.22 177.76 1ncl s LYS 139 N -0.25 4.02 0.53 0.44 1.02 -1.26 -4.57 119.74 119.67 1ncl s LYS 139 Ca 0.04 1.25 0.21 0.00 0.02 0.00 0.00 55.97 57.49 1ncl s LYS 139 Cb -0.07 -2.15 1.38 0.00 -0.52 0.00 0.00 37.83 36.46 1ncl s LYS 139 CO 0.00 -0.23 2.09 -1.35 -0.92 0.00 0.00 175.35 174.94 1ncl h PRO 140 N 1.76 0.00 0.00 -1.68 0.11 -1.95 0.56 132.00 130.80 1ncl h PRO 140 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ncl h PRO 140 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ncl h PRO 140 CO 0.60 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.32 1ncl h GLU 141 N 0.00 0.00 -0.05 1.05 3.07 -2.02 -2.80 114.58 113.83 1ncl h GLU 141 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1ncl h GLU 141 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1ncl h GLU 141 CO -0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1ncl n GLU 142 N -3.05 1.61 -4.86 2.33 1.02 0.19 -4.86 120.64 113.02 1ncl n GLU 142 Ca 0.00 -0.90 -0.33 0.00 -0.02 0.00 0.00 57.16 55.91 1ncl n GLU 142 Cb 0.26 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 1ncl n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ncl s LEU 143 N -1.88 2.75 0.39 -4.62 1.43 -1.06 -4.46 118.68 111.24 1ncl s LEU 143 Ca 0.37 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 1ncl s LEU 143 Cb 0.20 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 1ncl s LEU 143 CO 0.32 0.31 1.29 -0.76 0.23 0.00 0.00 176.35 177.74 1ncl s LEU 144 N -0.53 4.25 -0.26 1.79 1.43 -0.05 -4.93 118.68 120.39 1ncl s LEU 144 Ca 0.07 2.63 -0.10 0.00 -1.03 0.00 0.00 54.13 55.70 1ncl s LEU 144 Cb -0.12 -3.87 -0.15 0.00 0.03 0.00 0.00 46.19 42.09 1ncl s LEU 144 CO 0.02 -0.78 -0.21 0.41 0.23 0.00 0.00 176.35 176.02 1ncl n THR 145 N 0.24 1.54 -3.30 5.49 -1.04 -1.26 -4.81 114.28 111.14 1ncl n THR 145 Ca 0.03 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.05 61.20 1ncl n THR 145 Cb 0.43 -1.77 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 1ncl n THR 145 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1ncl s GLU 146 N -2.50 3.09 -0.15 -2.82 4.04 -1.26 -5.04 118.70 114.05 1ncl s GLU 146 Ca -0.36 -0.83 -0.04 0.00 0.04 0.00 0.00 54.97 53.78 1ncl s GLU 146 Cb 0.12 -4.01 -0.03 0.00 0.02 0.00 0.00 34.13 30.23 1ncl s GLU 146 CO 0.55 -0.94 -0.03 0.08 -1.84 0.00 0.00 175.26 173.08 1ncl s VAL 147 N 2.18 3.96 -0.22 1.83 1.01 -1.26 -5.07 120.40 122.82 1ncl s VAL 147 Ca 0.12 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ncl s VAL 147 Cb -0.18 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1ncl s VAL 147 CO 0.13 0.49 -0.10 -0.54 0.00 0.00 0.00 175.10 175.08 1ncl s LYS 148 N 0.32 2.07 0.52 2.72 -0.14 -1.26 -5.13 119.74 118.84 1ncl s LYS 148 Ca -0.03 -1.00 -0.00 0.00 -1.36 0.00 0.00 55.97 53.57 1ncl s LYS 148 Cb -0.14 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1ncl s LYS 148 CO 0.03 -0.48 0.76 -1.25 -0.76 0.00 0.00 175.35 173.64 1ncl s PRO 149 N 1.31 2.78 0.17 -1.68 0.04 -1.26 -5.02 135.00 131.34 1ncl s PRO 149 Ca -0.04 -0.55 -0.33 0.00 0.04 0.00 0.00 61.00 60.12 1ncl s PRO 149 Cb -0.17 -2.48 -0.13 0.00 0.04 0.00 0.00 34.50 31.76 1ncl s PRO 149 CO -0.07 -0.55 1.69 -1.71 0.04 0.00 0.00 177.00 176.39 1ncl n ASN 150 N -2.29 3.64 0.08 6.66 2.85 -1.26 -4.82 115.26 120.13 1ncl n ASN 150 Ca 0.05 1.06 0.08 0.00 -0.11 0.00 0.00 54.58 55.65 1ncl n ASN 150 Cb 0.59 -1.51 0.36 0.00 1.24 0.00 0.00 39.78 40.46 1ncl n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ncl n PRO 151 N 4.07 0.09 -0.08 1.20 -0.04 -1.26 -2.13 135.00 136.85 1ncl n PRO 151 Ca 0.17 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 1ncl n PRO 151 Cb 0.33 -1.74 0.37 0.00 -0.04 0.00 0.00 33.50 32.42 1ncl n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ncl n ASN 152 N -1.92 1.85 -0.03 3.54 3.02 -1.26 -4.09 115.26 116.36 1ncl n ASN 152 Ca 0.01 -1.72 -0.18 0.00 -0.03 0.00 0.00 54.58 52.65 1ncl n ASN 152 Cb 0.10 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 1ncl n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ncl n LEU 153 N 0.44 2.28 -4.32 3.41 4.77 -0.91 -4.96 117.00 117.72 1ncl n LEU 153 Ca 0.17 0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 1ncl n LEU 153 Cb 0.36 -0.78 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 1ncl n LEU 153 CO 0.14 0.78 -0.55 -0.31 -1.33 0.00 0.00 177.39 176.12 1ncl s TYR 154 N -2.55 2.45 -2.07 -1.77 2.02 -1.26 -5.13 117.35 109.05 1ncl s TYR 154 Ca -0.22 -0.54 0.31 0.00 -0.37 0.00 0.00 57.07 56.26 1ncl s TYR 154 Cb 0.07 -1.58 1.79 0.00 -0.40 0.00 0.00 41.96 41.84 1ncl s TYR 154 CO 0.74 -0.10 2.16 -1.91 -1.57 0.00 0.00 175.55 174.88