#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndc n ASN 7 N 0.00 0.00 -0.91 6.55 3.02 -1.26 -3.58 115.26 119.08 1ndc n ASN 7 Ca 0.00 -1.80 0.08 0.00 -0.03 0.00 0.00 54.58 52.83 1ndc n ASN 7 Cb 0.00 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.41 1ndc n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ndc n LYS 8 N -0.56 3.06 -2.09 3.52 5.02 -1.26 -3.36 118.16 122.49 1ndc n LYS 8 Ca 0.03 -2.61 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 1ndc n LYS 8 Cb 0.01 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1ndc n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ndc s GLU 9 N -2.18 3.10 0.07 1.97 2.12 -1.22 -4.74 118.70 117.82 1ndc s GLU 9 Ca 0.37 1.72 0.04 0.00 0.36 0.00 0.00 54.97 57.46 1ndc s GLU 9 Cb 0.27 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.68 1ndc s GLU 9 CO 0.12 -1.08 -0.11 1.03 -0.54 0.00 0.00 175.26 174.69 1ndc s ARG 10 N -3.36 0.76 0.10 4.30 0.52 -1.26 -1.23 118.95 118.79 1ndc s ARG 10 Ca 0.75 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 1ndc s ARG 10 Cb -0.27 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 1ndc s ARG 10 CO 0.31 0.12 -0.10 -0.08 0.02 0.00 0.00 175.30 175.57 1ndc s THR 11 N -1.70 0.94 -0.18 0.02 -1.32 -0.46 -4.70 115.64 108.24 1ndc s THR 11 Ca -0.01 -1.70 -0.06 0.00 -1.21 0.00 0.00 61.69 58.71 1ndc s THR 11 Cb -0.08 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 1ndc s THR 11 CO 0.01 -0.60 0.03 0.12 -2.21 0.00 0.00 174.62 171.97 1ndc s PHE 12 N -2.61 3.17 0.04 9.09 5.36 -1.26 -2.21 117.98 129.55 1ndc s PHE 12 Ca 0.07 -0.08 0.05 0.00 -0.96 0.00 0.00 56.93 56.02 1ndc s PHE 12 Cb -0.02 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 1ndc s PHE 12 CO -0.00 0.06 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.15 1ndc s LEU 13 N 0.44 2.16 -0.04 6.12 1.43 -0.25 -1.61 118.68 126.93 1ndc s LEU 13 Ca 0.01 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1ndc s LEU 13 Cb -0.13 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.42 1ndc s LEU 13 CO 0.01 0.07 0.07 0.00 0.23 0.00 0.00 176.35 176.74 1ndc s ALA 14 N -0.81 0.12 -0.31 4.21 0.00 -0.25 -0.68 121.76 124.04 1ndc s ALA 14 Ca 0.03 0.29 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 1ndc s ALA 14 Cb -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1ndc s ALA 14 CO 0.01 -0.41 0.95 0.08 0.00 0.00 0.00 175.76 176.40 1ndc s VAL 15 N 1.92 4.64 0.98 0.00 1.01 0.28 -0.59 120.40 128.64 1ndc s VAL 15 Ca 0.01 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 1ndc s VAL 15 Cb -0.12 -4.30 0.18 0.00 0.00 0.00 0.00 36.38 32.14 1ndc s VAL 15 CO -0.04 -0.37 1.09 -0.54 0.00 0.00 0.00 175.10 175.25 1ndc s LYS 16 N 3.34 0.54 0.39 2.72 1.02 -0.06 -1.97 119.74 125.72 1ndc s LYS 16 Ca 0.40 0.54 0.14 0.00 0.02 0.00 0.00 55.97 57.07 1ndc s LYS 16 Cb -0.13 -1.75 0.98 0.00 -0.52 0.00 0.00 37.83 36.42 1ndc s LYS 16 CO 0.14 -2.66 1.85 -1.35 -0.92 0.00 0.00 175.35 172.40 1ndc h PRO 17 N -1.84 0.50 -0.47 -1.68 0.11 -1.85 0.42 132.00 127.19 1ndc h PRO 17 Ca -0.54 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.42 1ndc h PRO 17 Cb 1.32 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1ndc h PRO 17 CO 0.57 0.33 -0.18 0.38 -0.21 0.00 0.00 178.00 178.89 1ndc h ASP 18 N 0.51 0.93 -0.51 -2.05 2.03 -1.88 -0.11 116.42 115.33 1ndc h ASP 18 Ca 0.48 -0.33 -0.10 0.00 -0.73 0.00 0.00 57.03 56.36 1ndc h ASP 18 Cb 1.05 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.28 1ndc h ASP 18 CO -0.21 1.08 -0.06 1.23 -1.03 0.00 0.00 179.24 180.25 1ndc h GLY 19 N 0.93 1.03 0.76 7.15 0.00 -1.13 -1.70 103.07 110.11 1ndc h GLY 19 Ca 0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1ndc h GLY 19 CO 0.06 0.74 0.00 -2.08 0.00 0.00 0.00 176.54 175.26 1ndc h VAL 20 N 0.82 1.24 0.00 4.60 2.07 -1.05 -2.15 116.25 121.78 1ndc h VAL 20 Ca 0.14 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1ndc h VAL 20 Cb 0.61 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1ndc h VAL 20 CO 0.04 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 1ndc h ALA 21 N 0.75 1.86 -0.09 1.67 0.00 -0.95 -1.38 119.26 121.12 1ndc h ALA 21 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ndc h ALA 21 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ndc h ALA 21 CO 0.00 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1ndc n ARG 22 N -4.39 1.54 -3.13 0.00 1.74 -0.65 -4.94 116.66 106.83 1ndc n ARG 22 Ca -0.03 -0.80 -0.14 0.00 -0.77 0.00 0.00 57.85 56.11 1ndc n ARG 22 Cb 0.13 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1ndc n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndc n GLY 23 N 1.07 -0.11 0.48 -0.13 0.00 -0.52 -4.95 105.19 101.03 1ndc n GLY 23 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1ndc n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndc n LEU 24 N -3.42 2.47 0.24 0.99 4.77 -0.82 -4.70 117.00 116.53 1ndc n LEU 24 Ca -0.11 -1.71 -0.16 0.00 -0.03 0.00 0.00 56.01 54.01 1ndc n LEU 24 Cb 0.58 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ndc n LEU 24 CO 0.44 0.59 0.67 0.58 -1.33 0.00 0.00 177.39 178.34 1ndc h VAL 25 N 1.70 0.38 -0.60 4.08 2.07 -1.88 -1.63 116.25 120.38 1ndc h VAL 25 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ndc h VAL 25 Cb 0.60 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1ndc h VAL 25 CO 0.00 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.20 1ndc h GLY 26 N -0.69 0.84 0.50 2.17 0.00 -1.97 -0.99 103.07 102.92 1ndc h GLY 26 Ca -0.04 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.04 1ndc h GLY 26 CO 0.00 0.32 0.22 -2.09 0.00 0.00 0.00 176.54 175.00 1ndc h GLU 27 N 0.81 0.41 -0.05 4.80 4.57 -1.83 -0.69 114.58 122.59 1ndc h GLU 27 Ca 0.22 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1ndc h GLU 27 Cb -0.07 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1ndc h GLU 27 CO -0.05 0.27 -0.01 0.82 -1.18 0.00 0.00 179.01 178.87 1ndc h ILE 28 N 0.42 1.28 -0.88 2.32 2.04 -0.88 -2.67 117.51 119.14 1ndc h ILE 28 Ca 0.27 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1ndc h ILE 28 Cb 0.29 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1ndc h ILE 28 CO -0.26 0.24 0.57 0.40 0.00 0.00 0.00 178.15 179.10 1ndc h ILE 29 N -0.25 1.14 -0.95 -0.67 2.04 -1.04 -2.53 117.51 115.25 1ndc h ILE 29 Ca 0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ndc h ILE 29 Cb 0.38 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1ndc h ILE 29 CO 0.00 0.20 0.62 0.00 0.00 0.00 0.00 178.15 178.98 1ndc h ALA 30 N 1.36 1.32 -0.93 1.87 0.00 -1.05 -1.11 119.26 120.72 1ndc h ALA 30 Ca 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ndc h ALA 30 Cb 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.37 1ndc h ALA 30 CO -0.12 0.63 0.58 0.00 0.00 0.00 0.00 179.25 180.34 1ndc h ARG 31 N 1.29 1.26 -0.06 0.00 3.08 -1.09 -0.19 114.38 118.66 1ndc h ARG 31 Ca 0.35 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 1ndc h ARG 31 Cb -0.14 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.63 1ndc h ARG 31 CO -0.07 0.87 -0.74 1.88 -1.07 0.00 0.00 179.97 180.84 1ndc h TYR 32 N 1.28 0.48 -0.39 3.04 0.05 -1.32 -2.45 116.97 117.67 1ndc h TYR 32 Ca 0.34 -0.22 -0.13 0.00 0.05 0.00 0.00 58.73 58.77 1ndc h TYR 32 Cb -0.08 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1ndc h TYR 32 CO 0.00 0.97 -0.28 0.93 -1.05 0.00 0.00 178.16 178.74 1ndc h GLU 33 N 0.24 0.87 -0.39 4.88 5.08 -0.94 -2.48 114.58 121.84 1ndc h GLU 33 Ca -0.03 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1ndc h GLU 33 Cb 1.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1ndc h GLU 33 CO 0.12 1.06 0.03 0.87 -1.00 0.00 0.00 179.01 180.10 1ndc h LYS 34 N 0.68 0.60 -0.20 2.33 1.57 -1.00 -2.33 116.57 118.22 1ndc h LYS 34 Ca 0.07 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1ndc h LYS 34 Cb 0.85 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1ndc h LYS 34 CO 0.07 0.61 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.24 1ndc h LYS 35 N 0.58 0.31 0.00 3.15 1.63 -1.29 -3.47 116.57 117.49 1ndc h LYS 35 Ca 0.13 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1ndc h LYS 35 Cb 0.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1ndc h LYS 35 CO 0.01 0.42 0.00 0.41 -3.45 0.00 0.00 179.45 176.84 1ndc n GLY 36 N -0.88 1.04 3.81 5.01 0.00 -0.88 -5.11 105.19 108.19 1ndc n GLY 36 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ndc n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndc s PHE 37 N -2.00 3.35 -0.17 1.61 0.08 -0.96 -4.87 117.98 115.02 1ndc s PHE 37 Ca 0.00 1.64 -0.08 0.00 0.12 0.00 0.00 56.93 58.61 1ndc s PHE 37 Cb 0.00 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 1ndc s PHE 37 CO 0.00 -0.13 0.10 0.08 -0.10 0.00 0.00 175.22 175.17 1ndc s VAL 38 N -2.06 5.15 -0.31 -0.44 1.01 -0.29 -4.45 120.40 119.00 1ndc s VAL 38 Ca 0.60 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1ndc s VAL 38 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1ndc s VAL 38 CO 0.16 0.50 1.32 -0.22 0.00 0.00 0.00 175.10 176.85 1ndc s LEU 39 N -0.05 3.85 0.00 3.92 2.96 -1.26 -0.75 118.68 127.35 1ndc s LEU 39 Ca 0.08 1.18 0.11 0.00 -0.22 0.00 0.00 54.13 55.28 1ndc s LEU 39 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1ndc s LEU 39 CO 0.00 -1.12 0.69 1.33 -1.32 0.00 0.00 176.35 175.94 1ndc n VAL 40 N 6.29 0.00 -3.60 1.68 0.24 0.44 -4.94 118.33 118.44 1ndc n VAL 40 Ca 0.15 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1ndc n VAL 40 Cb 0.47 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 1ndc n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ndc s GLY 41 N -1.45 -0.54 -0.28 7.63 0.00 -1.18 -1.24 107.32 110.26 1ndc s GLY 41 Ca 0.10 1.80 -0.16 0.00 0.00 0.00 0.00 44.72 46.46 1ndc s GLY 41 CO 0.28 1.50 0.84 -2.27 0.00 0.00 0.00 173.10 173.45 1ndc s LEU 42 N -0.07 -0.71 -0.12 0.66 2.96 -1.26 -1.67 118.68 118.47 1ndc s LEU 42 Ca -0.03 1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 54.73 1ndc s LEU 42 Cb -0.04 2.05 0.11 0.00 0.50 0.00 0.00 46.19 48.82 1ndc s LEU 42 CO 0.04 -0.18 0.92 -1.59 -1.32 0.00 0.00 176.35 174.21 1ndc s LYS 43 N 1.44 0.72 -0.11 1.98 -2.85 -0.48 -5.01 119.74 115.42 1ndc s LYS 43 Ca -0.09 0.12 -0.02 0.00 -1.00 0.00 0.00 55.97 54.98 1ndc s LYS 43 Cb -0.04 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 1ndc s LYS 43 CO -0.17 -0.23 -0.01 -1.14 0.10 0.00 0.00 175.35 173.90 1ndc s GLN 44 N -1.34 3.21 0.16 1.78 0.74 -1.26 -0.67 119.66 122.27 1ndc s GLN 44 Ca -0.03 -0.44 -0.18 0.00 0.05 0.00 0.00 55.36 54.76 1ndc s GLN 44 Cb -0.00 -2.84 0.04 0.00 1.10 0.00 0.00 33.01 31.31 1ndc s GLN 44 CO 0.02 0.55 0.49 -0.48 -0.55 0.00 0.00 175.29 175.32 1ndc s LEU 45 N -0.47 0.06 -0.33 3.68 2.34 -0.67 -4.98 118.68 118.31 1ndc s LEU 45 Ca 0.08 -0.29 -0.09 0.00 0.06 0.00 0.00 54.13 53.88 1ndc s LEU 45 Cb -0.12 2.12 0.01 0.00 -0.56 0.00 0.00 46.19 47.64 1ndc s LEU 45 CO 0.02 -0.95 0.16 -0.69 -1.06 0.00 0.00 176.35 173.83 1ndc s VAL 46 N -3.81 4.42 0.38 1.48 1.01 -1.26 -0.58 120.40 122.03 1ndc s VAL 46 Ca 0.04 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1ndc s VAL 46 Cb 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.91 1ndc s VAL 46 CO -0.09 -0.07 1.46 -2.84 0.00 0.00 0.00 175.10 173.56 1ndc s PRO 47 N 1.56 4.11 0.71 2.72 0.02 -1.26 -5.03 135.00 137.83 1ndc s PRO 47 Ca 0.03 2.52 -0.09 0.00 0.02 0.00 0.00 61.00 63.48 1ndc s PRO 47 Cb -0.18 -2.96 0.05 0.00 0.02 0.00 0.00 34.50 31.43 1ndc s PRO 47 CO 0.05 -0.51 1.06 0.95 -0.33 0.00 0.00 177.00 178.22 1ndc s THR 48 N -1.13 2.67 0.31 0.99 -4.23 -1.26 -4.55 115.64 108.44 1ndc s THR 48 Ca 0.53 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1ndc s THR 48 Cb -0.45 -3.17 0.18 0.00 1.34 0.00 0.00 72.50 70.40 1ndc s THR 48 CO 0.61 -0.20 1.88 0.50 -0.54 0.00 0.00 174.62 176.88 1ndc h LYS 49 N -0.67 0.73 -0.68 3.99 3.64 -1.95 -1.82 116.57 119.81 1ndc h LYS 49 Ca -0.45 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1ndc h LYS 49 Cb 1.30 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1ndc h LYS 49 CO 0.63 0.64 0.24 -0.44 -2.27 0.00 0.00 179.45 178.25 1ndc h ASP 50 N 0.71 0.96 -0.21 4.20 3.32 -1.99 -0.09 116.42 123.33 1ndc h ASP 50 Ca 0.17 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1ndc h ASP 50 Cb 0.22 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ndc h ASP 50 CO -0.01 0.89 -0.15 0.25 -1.72 0.00 0.00 179.24 178.51 1ndc h LEU 51 N 0.97 0.49 -0.17 1.55 5.85 -1.88 -2.28 115.31 119.84 1ndc h LEU 51 Ca 0.22 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1ndc h LEU 51 Cb 0.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ndc h LEU 51 CO -0.01 0.83 0.06 0.00 -0.34 0.00 0.00 178.44 178.98 1ndc h ALA 52 N 0.68 0.19 -0.33 1.25 0.00 -1.12 0.00 119.26 119.92 1ndc h ALA 52 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ndc h ALA 52 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ndc h ALA 52 CO 0.04 -0.37 0.02 0.93 0.00 0.00 0.00 179.25 179.87 1ndc h GLU 53 N 0.15 0.50 -0.05 0.00 5.08 -1.03 -1.67 114.58 117.57 1ndc h GLU 53 Ca 0.07 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1ndc h GLU 53 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ndc h GLU 53 CO -0.07 0.51 -0.27 0.77 -1.00 0.00 0.00 179.01 178.96 1ndc h SER 54 N 0.49 0.31 -0.45 1.42 0.02 -1.07 -1.67 113.55 112.61 1ndc h SER 54 Ca 0.11 -0.67 0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1ndc h SER 54 Cb 0.29 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1ndc h SER 54 CO 0.01 0.93 0.17 -0.74 -1.14 0.00 0.00 176.83 176.06 1ndc h HIS 55 N -0.28 0.31 -0.55 3.45 -0.00 -0.90 -2.83 115.15 114.35 1ndc h HIS 55 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ndc h HIS 55 Cb 0.93 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1ndc h HIS 55 CO 0.14 0.13 0.00 0.66 -0.00 0.00 0.00 177.93 178.86 1ndc n TYR 56 N -4.98 1.61 -0.28 5.26 4.01 -0.64 -4.67 117.16 117.47 1ndc n TYR 56 Ca 0.03 -0.59 0.09 0.00 -0.16 0.00 0.00 57.90 57.28 1ndc n TYR 56 Cb 0.16 -0.35 0.23 0.00 -0.31 0.00 0.00 39.34 39.07 1ndc n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndc h ALA 57 N 3.90 1.09 -0.27 -0.72 0.00 -1.03 0.30 119.26 122.52 1ndc h ALA 57 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1ndc h ALA 57 Cb 1.58 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1ndc h ALA 57 CO 0.33 -0.41 0.42 1.05 0.00 0.00 0.00 179.25 180.63 1ndc h GLU 58 N 0.21 0.00 -0.53 0.00 4.11 -1.85 -1.05 114.58 115.47 1ndc h GLU 58 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ndc h GLU 58 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1ndc h GLU 58 CO -0.61 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.19 1ndc n HIS 59 N -3.41 0.69 -0.17 2.06 8.25 0.09 -4.68 115.22 118.06 1ndc n HIS 59 Ca 0.04 -0.35 0.28 0.00 -0.26 0.00 0.00 57.72 57.44 1ndc n HIS 59 Cb 0.55 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.38 1ndc n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1ndc h LYS 60 N 4.00 0.00 -0.19 -0.41 2.10 -1.28 -0.81 116.57 119.98 1ndc h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ndc h LYS 60 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1ndc h LYS 60 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1ndc n GLU 61 N -4.24 2.33 -3.33 0.07 1.02 -1.26 -4.91 120.64 110.33 1ndc n GLU 61 Ca 0.18 -1.98 -0.33 0.00 -0.02 0.00 0.00 57.16 55.01 1ndc n GLU 61 Cb 0.96 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 1ndc n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ndc s ARG 62 N -1.77 3.92 0.56 3.49 0.52 -0.31 -5.00 118.95 120.37 1ndc s ARG 62 Ca 0.34 0.45 0.27 0.00 -0.52 0.00 0.00 55.73 56.26 1ndc s ARG 62 Cb 0.21 -2.71 1.52 0.00 0.52 0.00 0.00 34.95 34.49 1ndc s ARG 62 CO 0.31 0.34 2.04 -1.00 0.02 0.00 0.00 175.30 177.02 1ndc h PRO 63 N 2.86 0.00 -0.01 3.54 0.13 -1.92 -2.64 132.00 133.97 1ndc h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ndc h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ndc h PRO 63 CO 0.67 0.00 -0.33 1.97 -0.23 0.00 0.00 178.00 180.08 1ndc n PHE 64 N -4.03 0.00 -0.19 1.56 1.16 -1.26 -4.38 117.46 110.32 1ndc n PHE 64 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1ndc n PHE 64 Cb 0.44 -0.16 0.09 0.00 -1.61 0.00 0.00 39.48 38.23 1ndc n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1ndc h PHE 65 N 0.81 0.36 0.02 2.97 3.57 -1.68 -1.25 116.94 121.74 1ndc h PHE 65 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ndc h PHE 65 Cb 0.50 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1ndc h PHE 65 CO 0.00 0.10 -0.23 0.78 -2.23 0.00 0.00 178.31 176.73 1ndc h GLY 66 N 0.39 -0.35 1.89 2.40 0.00 -1.81 -0.87 103.07 104.70 1ndc h GLY 66 Ca 0.28 0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.80 1ndc h GLY 66 CO -0.29 -0.20 -0.38 -1.33 0.00 0.00 0.00 176.54 174.34 1ndc h GLY 67 N -0.37 0.14 0.88 4.60 0.00 -1.82 -1.66 103.07 104.83 1ndc h GLY 67 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1ndc h GLY 67 CO -0.19 0.11 -0.11 -2.00 0.00 0.00 0.00 176.54 174.35 1ndc h LEU 68 N 0.11 -0.25 -0.57 3.11 5.85 -0.85 0.47 115.31 123.17 1ndc h LEU 68 Ca 0.01 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1ndc h LEU 68 Cb 0.73 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1ndc h LEU 68 CO 0.05 -0.07 0.15 0.58 -0.34 0.00 0.00 178.44 178.82 1ndc h VAL 69 N -0.43 1.24 -0.57 1.05 2.07 -1.07 -1.87 116.25 116.67 1ndc h VAL 69 Ca -0.03 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1ndc h VAL 69 Cb 0.33 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1ndc h VAL 69 CO 0.05 0.32 0.30 0.28 0.02 0.00 0.00 177.57 178.53 1ndc h SER 70 N 0.81 0.72 -0.35 0.57 0.02 -1.20 -2.96 113.55 111.17 1ndc h SER 70 Ca 0.18 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1ndc h SER 70 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ndc h SER 70 CO -0.00 0.62 -0.10 0.15 -1.14 0.00 0.00 176.83 176.36 1ndc h PHE 71 N 0.76 0.77 0.00 3.45 3.57 -0.73 -2.93 116.94 121.83 1ndc h PHE 71 Ca 0.20 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ndc h PHE 71 Cb 0.08 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ndc h PHE 71 CO -0.01 0.85 -0.07 0.97 -2.23 0.00 0.00 178.31 177.82 1ndc h ILE 72 N 0.47 0.25 -0.06 1.41 2.10 -1.29 -1.94 117.51 118.45 1ndc h ILE 72 Ca 0.09 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1ndc h ILE 72 Cb 0.61 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1ndc h ILE 72 CO 0.04 0.07 0.00 0.35 -1.08 0.00 0.00 178.15 177.53 1ndc n THR 73 N -3.30 0.05 0.66 2.19 -2.24 -1.12 -4.36 114.28 106.16 1ndc n THR 73 Ca -0.01 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1ndc n THR 73 Cb 0.26 0.95 0.42 0.00 -2.10 0.00 0.00 70.33 69.86 1ndc n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ndc n SER 74 N 0.78 0.75 -3.04 3.42 3.41 -0.73 -4.79 113.62 113.42 1ndc n SER 74 Ca 0.17 0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 59.29 1ndc n SER 74 Cb 0.48 -0.77 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1ndc n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ndc n GLY 75 N 1.32 0.77 3.74 5.00 0.00 -1.26 -5.12 105.19 109.64 1ndc n GLY 75 Ca 0.06 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1ndc n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ndc s PRO 76 N -2.07 2.61 0.01 1.61 0.04 -1.26 -4.52 135.00 131.43 1ndc s PRO 76 Ca 0.20 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1ndc s PRO 76 Cb -0.04 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ndc s PRO 76 CO 0.08 -1.52 -0.12 0.08 0.04 0.00 0.00 177.00 175.56 1ndc s VAL 77 N -1.53 0.93 -0.33 -0.36 1.01 0.25 -3.57 120.40 116.80 1ndc s VAL 77 Ca 0.80 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1ndc s VAL 77 Cb -0.34 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1ndc s VAL 77 CO 0.39 0.09 0.13 -0.69 0.00 0.00 0.00 175.10 175.02 1ndc s VAL 78 N -0.58 4.09 -0.08 2.92 1.01 -0.83 -1.66 120.40 125.27 1ndc s VAL 78 Ca 0.02 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1ndc s VAL 78 Cb -0.06 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1ndc s VAL 78 CO 0.00 -0.11 0.31 0.00 0.00 0.00 0.00 175.10 175.31 1ndc s ALA 79 N 1.48 3.71 0.07 5.51 0.00 0.15 -0.56 121.76 132.12 1ndc s ALA 79 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1ndc s ALA 79 Cb -0.19 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.65 1ndc s ALA 79 CO 0.04 0.39 0.23 0.00 0.00 0.00 0.00 175.76 176.42 1ndc s MET 80 N -0.58 0.80 -0.10 0.00 0.23 0.14 -1.39 119.30 118.41 1ndc s MET 80 Ca 0.20 -0.74 0.01 0.00 -1.03 0.00 0.00 55.69 54.13 1ndc s MET 80 Cb -0.14 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1ndc s MET 80 CO 0.08 -0.25 -0.12 0.08 -2.03 0.00 0.00 175.02 172.78 1ndc s VAL 81 N -3.16 1.23 0.03 5.16 1.01 -0.67 -1.09 120.40 122.91 1ndc s VAL 81 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1ndc s VAL 81 Cb 0.02 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1ndc s VAL 81 CO -0.07 0.39 -0.11 -0.36 0.00 0.00 0.00 175.10 174.95 1ndc s PHE 82 N 1.16 2.76 -0.02 5.22 0.08 -0.94 -0.42 117.98 125.82 1ndc s PHE 82 Ca -0.05 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 56.94 1ndc s PHE 82 Cb -0.14 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1ndc s PHE 82 CO -0.03 0.34 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.22 1ndc s GLU 83 N -1.53 1.79 0.00 0.44 2.12 0.07 -1.35 118.70 120.24 1ndc s GLU 83 Ca 0.17 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1ndc s GLU 83 Cb -0.11 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1ndc s GLU 83 CO 0.08 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1ndc n GLY 84 N 2.60 1.42 3.70 -1.50 0.00 -0.36 -1.14 105.19 109.92 1ndc n GLY 84 Ca -0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1ndc n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ndc s LYS 85 N -2.00 4.20 -1.39 1.61 2.20 -1.24 -2.79 119.74 120.32 1ndc s LYS 85 Ca 0.00 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1ndc s LYS 85 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1ndc s LYS 85 CO 0.00 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1ndc n GLY 86 N 3.92 -0.42 0.32 5.54 0.00 -1.26 -4.88 105.19 108.42 1ndc n GLY 86 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ndc n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ndc h VAL 87 N 0.00 1.18 0.43 1.61 3.04 -1.81 -1.01 116.25 119.69 1ndc h VAL 87 Ca -0.38 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 1ndc h VAL 87 Cb 1.27 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1ndc h VAL 87 CO 0.45 0.20 -0.21 0.58 -1.01 0.00 0.00 177.57 177.59 1ndc h VAL 88 N 0.82 0.58 -0.33 1.51 2.07 -1.87 0.16 116.25 119.19 1ndc h VAL 88 Ca 0.21 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 1ndc h VAL 88 Cb 0.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ndc h VAL 88 CO -0.03 0.02 -0.36 0.00 0.02 0.00 0.00 177.57 177.21 1ndc h ALA 89 N -0.08 0.73 -0.37 1.67 0.00 -1.88 -2.61 119.26 116.73 1ndc h ALA 89 Ca -0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1ndc h ALA 89 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ndc h ALA 89 CO 0.10 0.66 0.04 1.03 0.00 0.00 0.00 179.25 181.08 1ndc h SER 90 N 0.64 0.60 -0.48 0.00 0.87 -1.13 -2.07 113.55 111.98 1ndc h SER 90 Ca 0.06 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1ndc h SER 90 Cb 0.91 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1ndc h SER 90 CO 0.08 0.73 0.30 0.00 -0.53 0.00 0.00 176.83 177.41 1ndc h ALA 91 N 0.90 1.60 -0.37 6.23 0.00 -0.61 -1.15 119.26 125.86 1ndc h ALA 91 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ndc h ALA 91 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ndc h ALA 91 CO 0.01 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 1ndc h ARG 92 N 0.67 0.67 -0.68 0.00 2.47 -1.06 -1.76 114.38 114.69 1ndc h ARG 92 Ca 0.18 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1ndc h ARG 92 Cb -0.03 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 1ndc h ARG 92 CO -0.03 0.79 0.45 1.25 0.56 0.00 0.00 179.97 182.99 1ndc h LEU 93 N 0.48 0.78 -0.84 3.04 5.85 -0.68 -0.58 115.31 123.35 1ndc h LEU 93 Ca 0.10 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1ndc h LEU 93 Cb 0.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ndc h LEU 93 CO 0.02 0.56 -0.46 0.24 -0.34 0.00 0.00 178.44 178.46 1ndc h MET 94 N 0.92 0.00 0.06 1.25 2.86 -1.01 -3.16 114.93 115.84 1ndc h MET 94 Ca 0.25 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.67 1ndc h MET 94 Cb -0.10 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.58 1ndc h MET 94 CO -0.05 0.46 -0.90 0.82 1.06 0.00 0.00 176.91 178.30 1ndc h ILE 95 N 0.00 1.37 0.00 -1.22 2.04 -0.33 0.81 117.51 120.19 1ndc h ILE 95 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1ndc h ILE 95 Cb 0.99 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1ndc h ILE 95 CO 0.06 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1ndc n GLY 96 N 1.26 0.22 3.48 5.37 0.00 -0.35 -0.89 105.19 114.29 1ndc n GLY 96 Ca -0.12 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1ndc n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ndc s VAL 97 N 0.00 1.04 0.25 1.61 -7.23 -1.26 -4.62 120.40 110.18 1ndc s VAL 97 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1ndc s VAL 97 Cb 0.00 -2.65 0.26 0.00 0.56 0.00 0.00 36.38 34.55 1ndc s VAL 97 CO 0.00 0.00 1.66 0.74 -0.31 0.00 0.00 175.10 177.19 1ndc h THR 98 N 1.99 0.41 -3.53 5.32 2.02 -1.98 -3.36 112.91 113.76 1ndc h THR 98 Ca -0.40 -0.06 -0.62 0.00 0.77 0.00 0.00 66.41 66.11 1ndc h THR 98 Cb 1.26 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 67.77 1ndc h THR 98 CO 0.67 0.03 0.28 0.21 0.37 0.00 0.00 175.52 177.07 1ndc s ASN 99 N -5.20 6.51 0.45 4.18 2.47 -1.26 -4.75 114.94 117.34 1ndc s ASN 99 Ca -0.13 0.30 0.11 0.00 0.42 0.00 0.00 52.86 53.56 1ndc s ASN 99 Cb 0.22 -2.37 1.02 0.00 -1.45 0.00 0.00 41.25 38.67 1ndc s ASN 99 CO 0.75 -0.66 2.09 -0.65 -3.72 0.00 0.00 177.10 174.92 1ndc h PRO 100 N 8.43 0.34 0.00 0.43 0.11 -1.85 -1.62 132.00 137.83 1ndc h PRO 100 Ca -0.25 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1ndc h PRO 100 Cb 1.10 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1ndc h PRO 100 CO 0.87 0.22 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.61 1ndc h LEU 101 N 0.35 0.00 -1.21 2.35 3.38 -1.77 -2.41 115.31 115.99 1ndc h LEU 101 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ndc h LEU 101 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ndc h LEU 101 CO -0.02 0.21 -0.16 0.00 0.09 0.00 0.00 178.44 178.55 1ndc n ALA 102 N -2.27 2.87 -1.85 1.53 0.00 -0.64 -4.92 120.51 115.22 1ndc n ALA 102 Ca -0.01 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1ndc n ALA 102 Cb 0.35 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1ndc n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ndc s SER 103 N -2.21 7.56 0.41 0.00 0.01 -0.91 -4.87 113.70 113.70 1ndc s SER 103 Ca 0.27 1.85 -0.24 0.00 1.31 0.00 0.00 55.95 59.14 1ndc s SER 103 Cb 0.20 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 1ndc s SER 103 CO 0.41 0.16 1.14 0.00 0.41 0.00 0.00 173.24 175.37 1ndc s ALA 104 N -1.09 3.10 0.23 1.44 0.00 -1.26 -4.35 121.76 119.82 1ndc s ALA 104 Ca 0.40 0.90 -0.32 0.00 0.00 0.00 0.00 51.96 52.95 1ndc s ALA 104 Cb -0.25 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1ndc s ALA 104 CO 0.30 -0.49 1.65 -2.30 0.00 0.00 0.00 175.76 174.92 1ndc n PRO 105 N -0.08 2.63 0.00 0.00 -0.02 -1.26 -1.61 135.00 134.66 1ndc n PRO 105 Ca 0.05 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1ndc n PRO 105 Cb 0.47 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1ndc n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ndc n GLY 106 N 3.25 0.98 3.93 -1.23 0.00 -1.26 -4.98 105.19 105.87 1ndc n GLY 106 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ndc n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ndc s SER 107 N -0.88 5.78 0.06 1.61 1.04 -0.64 -4.92 113.70 115.76 1ndc s SER 107 Ca 0.00 0.62 -0.27 0.00 0.48 0.00 0.00 55.95 56.79 1ndc s SER 107 Cb 0.00 -1.75 -0.17 0.00 0.10 0.00 0.00 66.02 64.20 1ndc s SER 107 CO 0.00 -0.87 1.59 0.40 0.98 0.00 0.00 173.24 175.34 1ndc h ILE 108 N 0.07 0.77 -0.03 -1.02 2.04 -0.74 -0.32 117.51 118.26 1ndc h ILE 108 Ca -0.46 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1ndc h ILE 108 Cb 1.25 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1ndc h ILE 108 CO 0.60 0.04 -0.46 0.03 0.00 0.00 0.00 178.15 178.36 1ndc h ARG 109 N -0.44 0.08 -0.41 2.37 3.08 -1.28 -1.65 114.38 116.14 1ndc h ARG 109 Ca -0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1ndc h ARG 109 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ndc h ARG 109 CO 0.06 0.53 -0.08 0.78 -1.07 0.00 0.00 179.97 180.19 1ndc h GLY 110 N 1.36 0.77 1.40 0.04 0.00 -1.67 -0.76 103.07 104.21 1ndc h GLY 110 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 47.33 46.56 1ndc h GLY 110 CO 0.06 0.50 -1.32 -0.55 0.00 0.00 0.00 176.54 175.24 1ndc h ASP 111 N 0.65 0.00 0.00 0.19 3.32 -0.83 -3.43 116.42 116.33 1ndc h ASP 111 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ndc h ASP 111 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1ndc h ASP 111 CO 0.03 0.88 0.00 0.49 -1.72 0.00 0.00 179.24 178.91 1ndc n PHE 112 N -3.13 0.00 -4.40 4.55 3.72 -0.64 -5.08 117.46 112.49 1ndc n PHE 112 Ca -0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.05 1ndc n PHE 112 Cb 0.95 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.38 1ndc n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ndc s GLY 113 N -0.72 1.72 0.00 1.37 0.00 -0.29 -5.02 107.32 104.38 1ndc s GLY 113 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1ndc s GLY 113 CO 0.00 -1.65 0.00 3.33 0.00 0.00 0.00 173.10 174.78 1ndc n VAL 114 N 0.18 0.00 -5.08 1.40 0.24 -1.26 -4.27 118.33 109.54 1ndc n VAL 114 Ca -0.12 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 1ndc n VAL 114 Cb 0.56 -0.21 -0.15 0.00 -1.47 0.00 0.00 33.84 32.57 1ndc n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ndc s ASP 115 N -1.65 3.51 0.47 -1.34 2.15 -1.26 -4.40 116.67 114.14 1ndc s ASP 115 Ca 0.00 -0.38 0.13 0.00 0.43 0.00 0.00 52.55 52.72 1ndc s ASP 115 Cb 0.00 -0.92 1.10 0.00 -0.30 0.00 0.00 42.92 42.80 1ndc s ASP 115 CO 0.00 0.27 2.10 1.62 -0.17 0.00 0.00 175.17 178.99 1ndc h VAL 116 N 4.84 1.05 0.00 1.11 3.04 -1.97 -1.22 116.25 123.10 1ndc h VAL 116 Ca -0.36 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1ndc h VAL 116 Cb 1.17 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1ndc h VAL 116 CO 0.49 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 1ndc n GLY 117 N -1.45 -1.49 2.45 3.17 0.00 -1.26 -3.58 105.19 103.03 1ndc n GLY 117 Ca -0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ndc n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ndc n ARG 118 N -1.88 1.88 -1.21 1.61 5.12 -0.47 -4.93 116.66 116.79 1ndc n ARG 118 Ca 0.05 -4.03 -0.23 0.00 -1.93 0.00 0.00 57.85 51.71 1ndc n ARG 118 Cb 0.34 -1.87 0.18 0.00 -1.16 0.00 0.00 32.46 29.96 1ndc n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndc n ASN 119 N 0.46 3.70 0.00 0.55 0.23 -1.16 -4.35 115.26 114.70 1ndc n ASN 119 Ca 0.27 -3.61 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 1ndc n ASN 119 Cb 0.51 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 1ndc n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ndc n ILE 120 N -1.14 0.00 -3.97 1.53 5.41 -1.26 -4.81 119.36 115.12 1ndc n ILE 120 Ca 0.59 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.25 1ndc n ILE 120 Cb 1.65 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 40.49 1ndc n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1ndc s ILE 121 N 0.00 0.16 -0.03 1.39 2.07 -1.26 -0.89 121.20 122.65 1ndc s ILE 121 Ca 0.00 -1.33 0.07 0.00 -1.41 0.00 0.00 60.65 57.97 1ndc s ILE 121 Cb 0.00 -1.16 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 1ndc s ILE 121 CO 0.00 -0.74 -0.23 -2.28 -1.91 0.00 0.00 174.94 169.78 1ndc s HIS 122 N -3.25 2.43 -0.01 3.50 5.65 0.24 -4.90 115.29 118.95 1ndc s HIS 122 Ca 0.01 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 54.93 1ndc s HIS 122 Cb 0.03 -1.54 0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1ndc s HIS 122 CO -0.08 0.00 -0.00 0.20 -0.65 0.00 0.00 174.74 174.21 1ndc s GLY 123 N -0.61 0.09 0.51 1.59 0.00 -1.26 -1.09 107.32 106.56 1ndc s GLY 123 Ca 0.09 0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.64 1ndc s GLY 123 CO -0.00 0.19 1.10 1.44 0.00 0.00 0.00 173.10 175.82 1ndc n SER 124 N 3.41 1.54 -0.56 1.64 7.64 -0.63 -4.94 113.62 121.72 1ndc n SER 124 Ca -0.17 0.95 0.12 0.00 1.01 0.00 0.00 58.87 60.77 1ndc n SER 124 Cb 0.56 -1.43 0.11 0.00 -1.01 0.00 0.00 64.21 62.44 1ndc n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ndc n ASP 125 N -0.31 2.06 -3.67 6.43 5.68 -1.26 -4.81 116.55 120.68 1ndc n ASP 125 Ca 0.11 -1.53 -0.07 0.00 -0.50 0.00 0.00 54.79 52.79 1ndc n ASP 125 Cb 0.43 0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 40.68 1ndc n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ndc s SER 126 N -2.34 -0.32 0.30 -1.12 1.04 -1.26 -4.96 113.70 105.04 1ndc s SER 126 Ca 0.23 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1ndc s SER 126 Cb 0.19 0.56 0.48 0.00 0.10 0.00 0.00 66.02 67.35 1ndc s SER 126 CO 0.49 -1.00 1.87 0.58 0.98 0.00 0.00 173.24 176.16 1ndc h VAL 127 N 2.00 1.21 -0.36 5.02 2.07 -1.94 0.02 116.25 124.28 1ndc h VAL 127 Ca -0.24 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1ndc h VAL 127 Cb 1.26 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ndc h VAL 127 CO 0.28 0.27 -0.03 -0.33 0.02 0.00 0.00 177.57 177.78 1ndc h GLU 128 N 0.75 0.65 0.00 1.57 3.07 -1.97 -1.20 114.58 117.45 1ndc h GLU 128 Ca 0.17 -0.22 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 1ndc h GLU 128 Cb 0.23 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1ndc h GLU 128 CO -0.01 0.78 -0.57 0.66 -1.40 0.00 0.00 179.01 178.48 1ndc h SER 129 N 0.46 0.00 -0.14 1.42 4.64 -1.90 -2.71 113.55 115.32 1ndc h SER 129 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1ndc h SER 129 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1ndc h SER 129 CO 0.02 0.57 0.03 0.00 -0.87 0.00 0.00 176.83 176.58 1ndc h ALA 130 N 1.43 0.19 -0.51 5.18 0.00 -0.71 0.39 119.26 125.24 1ndc h ALA 130 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ndc h ALA 130 Cb 1.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ndc h ALA 130 CO 0.07 -0.17 0.25 -0.91 0.00 0.00 0.00 179.25 178.49 1ndc h ASN 131 N 0.03 0.63 -0.13 0.00 2.35 -1.20 0.21 115.58 117.47 1ndc h ASN 131 Ca 0.04 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1ndc h ASN 131 Cb 0.26 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1ndc h ASN 131 CO 0.00 0.54 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.02 1ndc h ARG 132 N 0.71 0.37 -0.45 0.81 2.43 -1.25 -2.91 114.38 114.09 1ndc h ARG 132 Ca 0.18 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1ndc h ARG 132 Cb 0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1ndc h ARG 132 CO -0.03 0.81 0.02 0.93 -1.51 0.00 0.00 179.97 180.19 1ndc h GLU 133 N -0.03 0.79 -0.45 0.20 5.08 -0.58 -2.32 114.58 117.26 1ndc h GLU 133 Ca 0.01 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1ndc h GLU 133 Cb 0.78 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1ndc h GLU 133 CO 0.05 0.84 0.19 0.82 -1.00 0.00 0.00 179.01 179.91 1ndc h ILE 134 N 0.64 0.90 0.00 3.13 2.04 -1.02 -1.24 117.51 121.96 1ndc h ILE 134 Ca 0.13 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1ndc h ILE 134 Cb 0.47 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1ndc h ILE 134 CO 0.02 0.07 -0.22 0.00 0.00 0.00 0.00 178.15 178.02 1ndc h ALA 135 N 1.27 1.32 -0.02 1.87 0.00 -1.37 -0.06 119.26 122.26 1ndc h ALA 135 Ca 0.21 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1ndc h ALA 135 Cb 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ndc h ALA 135 CO -0.18 0.27 -0.63 1.25 0.00 0.00 0.00 179.25 179.96 1ndc h LEU 136 N 0.00 0.59 0.00 0.00 5.85 -0.73 -3.37 115.31 117.65 1ndc h LEU 136 Ca -0.00 -0.73 -0.21 0.00 0.84 0.00 0.00 57.88 57.78 1ndc h LEU 136 Cb 0.49 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ndc h LEU 136 CO 0.03 1.25 -1.50 -0.50 -0.34 0.00 0.00 178.44 177.38 1ndc h TRP 137 N -0.00 0.00 -4.18 1.25 4.06 -1.14 -3.48 115.95 112.46 1ndc h TRP 137 Ca -0.07 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.21 1ndc h TRP 137 Cb 1.33 0.00 -0.25 0.00 -1.00 0.00 0.00 29.16 29.23 1ndc h TRP 137 CO 0.14 0.72 -0.87 -0.06 -3.56 0.00 0.00 178.44 174.80 1ndc s PHE 138 N -2.82 2.19 0.28 0.49 0.40 -0.05 -5.10 117.98 113.38 1ndc s PHE 138 Ca -0.03 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1ndc s PHE 138 Cb 0.08 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.27 1ndc s PHE 138 CO 0.81 0.17 0.58 0.15 0.70 0.00 0.00 175.22 177.63 1ndc s LYS 139 N -1.43 3.71 0.32 0.44 1.02 -1.26 -4.53 119.74 118.01 1ndc s LYS 139 Ca 0.11 0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.33 1ndc s LYS 139 Cb -0.10 -2.61 0.73 0.00 -0.52 0.00 0.00 37.83 35.33 1ndc s LYS 139 CO 0.03 0.22 1.82 -1.35 -0.92 0.00 0.00 175.35 175.15 1ndc h PRO 140 N 1.94 0.77 0.00 -1.68 0.11 -1.95 -1.52 132.00 129.66 1ndc h PRO 140 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ndc h PRO 140 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ndc h PRO 140 CO 0.67 0.51 0.00 -0.85 -0.21 0.00 0.00 178.00 178.12 1ndc n GLU 141 N -4.65 0.06 0.00 1.05 0.00 -1.26 -2.26 120.64 113.58 1ndc n GLU 141 Ca 0.20 0.27 0.14 0.00 0.00 0.00 0.00 57.16 57.77 1ndc n GLU 141 Cb 0.49 -1.61 0.50 0.00 0.00 0.00 0.00 31.44 30.82 1ndc n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ndc n GLU 142 N -1.73 1.46 -4.79 3.44 1.02 -0.57 -4.86 120.64 114.60 1ndc n GLU 142 Ca 0.04 -0.84 -0.33 0.00 -0.02 0.00 0.00 57.16 56.01 1ndc n GLU 142 Cb 0.21 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 1ndc n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndc s LEU 143 N -2.12 2.83 0.34 -4.62 1.43 -0.96 -4.53 118.68 111.04 1ndc s LEU 143 Ca 0.35 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 1ndc s LEU 143 Cb 0.21 -1.60 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 1ndc s LEU 143 CO 0.38 0.29 1.38 -0.76 0.23 0.00 0.00 176.35 177.87 1ndc s LEU 144 N -0.40 4.39 -0.22 1.79 1.43 -0.37 -4.94 118.68 120.36 1ndc s LEU 144 Ca 0.05 2.80 -0.06 0.00 -1.03 0.00 0.00 54.13 55.89 1ndc s LEU 144 Cb -0.12 -3.65 -0.19 0.00 0.03 0.00 0.00 46.19 42.26 1ndc s LEU 144 CO 0.02 -0.66 -0.04 0.35 0.23 0.00 0.00 176.35 176.26 1ndc n THR 145 N 0.84 1.59 -3.50 5.49 -2.24 -1.26 -4.81 114.28 110.38 1ndc n THR 145 Ca 0.01 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1ndc n THR 145 Cb 0.41 -1.67 -0.09 0.00 -2.10 0.00 0.00 70.33 66.88 1ndc n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ndc s GLU 146 N -2.51 2.84 0.02 -0.78 -1.05 -1.26 -5.07 118.70 110.90 1ndc s GLU 146 Ca -0.32 -1.27 -0.14 0.00 -0.15 0.00 0.00 54.97 53.10 1ndc s GLU 146 Cb 0.09 -3.93 -0.06 0.00 -0.44 0.00 0.00 34.13 29.79 1ndc s GLU 146 CO 0.63 -0.89 0.41 0.08 0.95 0.00 0.00 175.26 176.43 1ndc s VAL 147 N 1.57 5.04 -0.36 1.83 1.01 -1.26 -5.06 120.40 123.17 1ndc s VAL 147 Ca 0.03 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1ndc s VAL 147 Cb -0.22 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.59 1ndc s VAL 147 CO 0.06 0.52 0.19 -0.75 0.00 0.00 0.00 175.10 175.11 1ndc s LYS 148 N -1.26 0.76 0.27 2.72 2.47 -1.26 -5.12 119.74 118.31 1ndc s LYS 148 Ca 0.26 -1.38 -0.03 0.00 -1.56 0.00 0.00 55.97 53.26 1ndc s LYS 148 Cb -0.16 -1.73 0.06 0.00 -1.46 0.00 0.00 37.83 34.54 1ndc s LYS 148 CO 0.14 -1.13 0.37 -0.35 0.16 0.00 0.00 175.35 174.54 1ndc n PRO 149 N 4.20 -0.02 -2.92 4.03 -0.04 -1.26 -5.06 135.00 133.94 1ndc n PRO 149 Ca 0.06 -0.75 -0.41 0.00 -0.04 0.00 0.00 63.50 62.36 1ndc n PRO 149 Cb 0.38 -0.32 -0.04 0.00 -0.04 0.00 0.00 33.50 33.47 1ndc n PRO 149 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ndc s ASN 150 N -2.41 7.06 0.00 3.54 3.84 -1.26 -4.91 114.94 120.81 1ndc s ASN 150 Ca 0.22 1.29 0.21 0.00 0.21 0.00 0.00 52.86 54.79 1ndc s ASN 150 Cb -0.01 -2.46 1.14 0.00 -0.55 0.00 0.00 41.25 39.37 1ndc s ASN 150 CO 0.15 -0.25 1.63 -0.81 -2.79 0.00 0.00 177.10 175.04 1ndc n PRO 151 N 4.30 0.49 0.00 0.43 -0.04 -1.26 -0.37 135.00 138.54 1ndc n PRO 151 Ca 0.02 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1ndc n PRO 151 Cb 0.50 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.05 1ndc n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ndc n ASN 152 N -1.13 0.26 -0.08 3.54 3.02 -1.26 -3.76 115.26 115.85 1ndc n ASN 152 Ca 0.13 -0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.37 1ndc n ASN 152 Cb 0.11 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 1ndc n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ndc n LEU 153 N -1.24 1.89 -4.37 3.41 4.77 0.50 -4.98 117.00 116.98 1ndc n LEU 153 Ca 0.11 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 1ndc n LEU 153 Cb 0.30 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1ndc n LEU 153 CO 0.26 0.74 -0.55 -0.31 -1.33 0.00 0.00 177.39 176.20 1ndc s TYR 154 N -2.53 2.38 -2.00 -1.77 2.02 -1.20 -5.08 117.35 109.17 1ndc s TYR 154 Ca -0.22 -0.38 0.31 0.00 -0.37 0.00 0.00 57.07 56.41 1ndc s TYR 154 Cb 0.08 -1.43 1.87 0.00 -0.40 0.00 0.00 41.96 42.09 1ndc s TYR 154 CO 0.72 0.13 2.20 -1.91 -1.57 0.00 0.00 175.55 175.12