#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i14 h GLU 6 N 0.00 0.20 -0.00 -0.72 4.81 -2.04 -2.62 114.58 114.21 1i14 h GLU 6 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1i14 h GLU 6 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1i14 h GLU 6 CO 0.00 0.42 -0.02 1.97 -0.73 0.00 0.00 179.01 180.65 1i14 n PHE 7 N -4.20 0.00 -3.82 0.92 1.16 -1.26 -4.85 117.46 105.40 1i14 n PHE 7 Ca -0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.21 1i14 n PHE 7 Cb 0.33 -0.08 -0.07 0.00 -1.61 0.00 0.00 39.48 38.05 1i14 n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i14 s ALA 8 N -2.19 3.80 0.12 1.98 0.00 -0.99 -1.63 121.76 122.87 1i14 s ALA 8 Ca 0.40 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1i14 s ALA 8 Cb 0.21 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.16 1i14 s ALA 8 CO 0.40 0.44 1.28 1.49 0.00 0.00 0.00 175.76 179.37 1i14 h GLU 9 N 5.65 0.31 -1.14 0.00 4.81 -0.86 -3.45 114.58 119.89 1i14 h GLU 9 Ca -0.49 -0.38 0.32 0.00 -0.13 0.00 0.00 59.36 58.68 1i14 h GLU 9 Cb 1.20 0.12 -0.20 0.00 0.63 0.00 0.00 28.75 30.50 1i14 h GLU 9 CO 0.65 1.09 0.95 -1.59 -0.73 0.00 0.00 179.01 179.38 1i14 s LYS 10 N -3.08 0.09 -0.17 1.92 -2.85 -1.25 -5.00 119.74 109.40 1i14 s LYS 10 Ca -0.04 -0.04 -0.18 0.00 -1.00 0.00 0.00 55.97 54.71 1i14 s LYS 10 Cb 0.09 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1i14 s LYS 10 CO 0.86 -0.04 0.48 0.42 0.10 0.00 0.00 175.35 177.17 1i14 s ILE 11 N -2.12 5.16 -0.17 3.79 1.01 -1.26 -0.17 121.20 127.44 1i14 s ILE 11 Ca 0.12 0.90 -0.26 0.00 0.00 0.00 0.00 60.65 61.40 1i14 s ILE 11 Cb -0.00 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.43 1i14 s ILE 11 CO -0.03 0.24 0.56 -0.07 0.00 0.00 0.00 174.94 175.64 1i14 h LEU 12 N 7.45 0.00 -7.57 2.97 3.38 -0.94 -3.48 115.31 117.12 1i14 h LEU 12 Ca -0.37 -0.81 -0.29 0.00 0.09 0.00 0.00 57.88 56.51 1i14 h LEU 12 Cb 1.16 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.59 1i14 h LEU 12 CO 0.74 1.19 -0.73 -0.36 0.09 0.00 0.00 178.44 179.37 1i14 s PHE 13 N -2.27 0.03 0.73 1.13 0.40 -1.04 -5.02 117.98 111.94 1i14 s PHE 13 Ca -0.23 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1i14 s PHE 13 Cb 0.00 -0.20 0.05 0.00 0.51 0.00 0.00 43.02 43.39 1i14 s PHE 13 CO 0.65 -0.07 1.08 0.95 0.70 0.00 0.00 175.22 178.52 1i14 s THR 14 N 0.86 2.54 0.23 0.64 -4.23 -1.26 -1.07 115.64 113.35 1i14 s THR 14 Ca -0.07 -0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1i14 s THR 14 Cb -0.10 -3.13 0.18 0.00 1.34 0.00 0.00 72.50 70.78 1i14 s THR 14 CO -0.02 -0.16 1.83 -0.08 -0.54 0.00 0.00 174.62 175.64 1i14 h GLU 15 N -0.73 0.80 -0.30 3.99 4.81 -1.95 -1.61 114.58 119.59 1i14 h GLU 15 Ca -0.45 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1i14 h GLU 15 Cb 1.30 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1i14 h GLU 15 CO 0.63 0.53 0.19 0.93 -0.73 0.00 0.00 179.01 180.56 1i14 h GLU 16 N 0.82 0.37 -0.10 1.92 5.08 -1.93 -0.82 114.58 119.92 1i14 h GLU 16 Ca 0.34 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1i14 h GLU 16 Cb 0.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1i14 h GLU 16 CO -0.18 0.24 0.06 1.05 -1.00 0.00 0.00 179.01 179.18 1i14 h GLU 17 N 0.38 0.14 -0.56 2.33 4.11 -1.82 0.22 114.58 119.38 1i14 h GLU 17 Ca 0.11 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.59 1i14 h GLU 17 Cb -0.02 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1i14 h GLU 17 CO -0.04 0.17 0.26 0.82 0.07 0.00 0.00 179.01 180.29 1i14 h ILE 18 N 0.08 0.90 -0.14 -1.06 2.04 -1.18 0.19 117.51 118.33 1i14 h ILE 18 Ca 0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1i14 h ILE 18 Cb 0.07 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1i14 h ILE 18 CO -0.01 0.09 -0.01 -0.09 0.00 0.00 0.00 178.15 178.14 1i14 h ARG 19 N 0.49 0.04 -0.20 2.37 2.43 -0.87 0.85 114.38 119.48 1i14 h ARG 19 Ca 0.26 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1i14 h ARG 19 Cb 0.22 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1i14 h ARG 19 CO -0.21 0.02 0.06 1.15 -1.51 0.00 0.00 179.97 179.48 1i14 h THR 20 N 0.04 0.94 -0.55 0.20 2.02 -0.31 -2.00 112.91 113.24 1i14 h THR 20 Ca 0.07 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1i14 h THR 20 Cb 0.08 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1i14 h THR 20 CO -0.12 0.03 0.04 0.03 0.37 0.00 0.00 175.52 175.87 1i14 h ARG 21 N 0.15 0.91 -0.40 6.66 3.08 -0.72 -2.71 114.38 121.36 1i14 h ARG 21 Ca 0.09 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1i14 h ARG 21 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1i14 h ARG 21 CO -0.10 0.88 -0.07 0.82 -1.07 0.00 0.00 179.97 180.43 1i14 h ILE 22 N 0.85 1.24 -0.27 2.04 2.04 -0.61 -1.74 117.51 121.06 1i14 h ILE 22 Ca 0.17 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1i14 h ILE 22 Cb 0.45 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1i14 h ILE 22 CO 0.02 0.36 0.10 0.50 0.00 0.00 0.00 178.15 179.12 1i14 h LYS 23 N 0.63 0.41 -0.62 2.37 3.64 -1.16 -0.59 116.57 121.26 1i14 h LYS 23 Ca 0.12 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1i14 h LYS 23 Cb 0.49 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1i14 h LYS 23 CO 0.03 0.45 0.20 0.93 -2.27 0.00 0.00 179.45 178.79 1i14 h GLU 24 N 0.28 0.92 -0.16 1.90 4.39 -1.22 -1.28 114.58 119.42 1i14 h GLU 24 Ca 0.09 -0.17 -0.17 0.00 0.34 0.00 0.00 59.36 59.45 1i14 h GLU 24 Cb 0.20 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1i14 h GLU 24 CO -0.01 0.79 -0.62 0.28 -1.16 0.00 0.00 179.01 178.29 1i14 h VAL 25 N 0.90 1.33 -0.67 3.13 2.07 -1.10 -2.58 116.25 119.33 1i14 h VAL 25 Ca 0.20 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 1i14 h VAL 25 Cb 0.24 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1i14 h VAL 25 CO -0.01 0.59 0.10 0.00 0.02 0.00 0.00 177.57 178.27 1i14 h ALA 26 N 0.91 0.89 -0.83 1.67 0.00 -0.80 -0.41 119.26 120.69 1i14 h ALA 26 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1i14 h ALA 26 Cb 1.18 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1i14 h ALA 26 CO 0.12 0.67 0.55 -0.22 0.00 0.00 0.00 179.25 180.36 1i14 h LYS 27 N 1.04 1.08 -0.41 0.00 1.63 -1.12 -0.37 116.57 118.41 1i14 h LYS 27 Ca 0.20 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1i14 h LYS 27 Cb 0.45 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1i14 h LYS 27 CO 0.01 0.71 -0.03 0.00 -3.45 0.00 0.00 179.45 176.70 1i14 h ARG 28 N 1.11 0.75 -0.92 1.90 3.08 -1.04 -1.69 114.38 117.57 1i14 h ARG 28 Ca 0.31 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1i14 h ARG 28 Cb -0.11 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1i14 h ARG 28 CO -0.07 0.84 0.59 0.82 -1.07 0.00 0.00 179.97 181.08 1i14 h ILE 29 N 0.58 1.24 0.07 2.04 2.04 -0.68 0.44 117.51 123.23 1i14 h ILE 29 Ca 0.11 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1i14 h ILE 29 Cb 0.53 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1i14 h ILE 29 CO 0.03 0.24 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 1i14 h ALA 30 N 1.32 -0.09 -0.34 1.87 0.00 -0.90 -1.30 119.26 119.82 1i14 h ALA 30 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1i14 h ALA 30 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1i14 h ALA 30 CO -0.07 -0.51 0.22 -0.44 0.00 0.00 0.00 179.25 178.45 1i14 h ASP 31 N -0.17 0.40 -0.14 0.00 3.45 -0.98 -1.51 116.42 117.47 1i14 h ASP 31 Ca -0.01 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 1i14 h ASP 31 Cb 0.15 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1i14 h ASP 31 CO 0.01 0.31 0.04 0.44 -1.57 0.00 0.00 179.24 178.47 1i14 h ASP 32 N 0.46 0.27 0.06 6.45 3.32 -0.73 -2.52 116.42 123.72 1i14 h ASP 32 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1i14 h ASP 32 Cb -0.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1i14 h ASP 32 CO -0.03 0.30 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.26 1i14 n TYR 33 N -4.40 0.00 -0.34 4.55 4.02 -0.51 -4.41 117.16 116.08 1i14 n TYR 33 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.06 1i14 n TYR 33 Cb 0.16 -0.04 0.39 0.00 -0.02 0.00 0.00 39.34 39.83 1i14 n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i14 h LYS 34 N 2.30 0.59 0.00 -0.72 1.57 -0.82 0.17 116.57 119.66 1i14 h LYS 34 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1i14 h LYS 34 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1i14 h LYS 34 CO 0.00 0.39 0.00 0.78 -0.57 0.00 0.00 179.45 180.05 1i14 h GLY 35 N 0.61 0.00 2.00 3.86 0.00 -1.78 -2.97 103.07 104.78 1i14 h GLY 35 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1i14 h GLY 35 CO -0.39 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.43 1i14 n LYS 36 N -2.46 0.09 -3.49 4.80 4.76 0.59 -4.95 118.16 117.50 1i14 n LYS 36 Ca 0.03 0.10 -0.19 0.00 -2.87 0.00 0.00 58.31 55.38 1i14 n LYS 36 Cb 0.31 -1.61 0.07 0.00 -1.84 0.00 0.00 35.03 31.95 1i14 n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i14 n GLY 37 N 1.30 -0.49 3.76 0.72 0.00 -1.12 -4.92 105.19 104.44 1i14 n GLY 37 Ca 0.06 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1i14 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i14 s LEU 38 N -6.31 4.37 -0.02 0.99 1.43 -1.26 -4.91 118.68 112.96 1i14 s LEU 38 Ca 0.09 2.83 -0.05 0.00 -1.03 0.00 0.00 54.13 55.97 1i14 s LEU 38 Cb -0.02 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1i14 s LEU 38 CO 0.76 -0.76 0.11 -0.13 0.23 0.00 0.00 176.35 176.56 1i14 s ARG 39 N -1.06 0.26 0.73 1.70 0.52 0.46 -4.78 118.95 116.77 1i14 s ARG 39 Ca 0.57 -0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 55.54 1i14 s ARG 39 Cb -0.44 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.18 1i14 s ARG 39 CO 0.51 -0.05 1.18 -1.25 0.02 0.00 0.00 175.30 175.71 1i14 s PRO 40 N -0.54 2.19 0.00 3.54 0.04 -1.26 -0.71 135.00 138.27 1i14 s PRO 40 Ca -0.06 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1i14 s PRO 40 Cb -0.04 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1i14 s PRO 40 CO 0.00 -1.77 0.00 0.66 0.04 0.00 0.00 177.00 175.93 1i14 n TYR 41 N -2.78 0.00 0.06 0.56 4.02 -1.26 -4.20 117.16 113.56 1i14 n TYR 41 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.03 1i14 n TYR 41 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 1i14 n TYR 41 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1i14 h VAL 42 N 0.00 0.50 -0.55 -0.72 -1.51 -2.02 -3.43 116.25 108.52 1i14 h VAL 42 Ca 0.00 -1.92 -0.30 0.00 -1.23 0.00 0.00 66.70 63.25 1i14 h VAL 42 Cb 0.00 2.04 -0.24 0.00 -2.13 0.00 0.00 31.29 30.96 1i14 h VAL 42 CO 0.00 0.29 -0.69 -3.20 -1.23 0.00 0.00 177.57 172.73 1i14 n ASN 43 N -2.93 -0.92 -4.87 4.19 5.15 0.11 -4.96 115.26 111.04 1i14 n ASN 43 Ca -0.07 -3.00 -0.31 0.00 -0.60 0.00 0.00 54.58 50.61 1i14 n ASN 43 Cb 0.79 0.72 0.01 0.00 -0.53 0.00 0.00 39.78 40.77 1i14 n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1i14 s PRO 44 N -0.88 3.57 -0.14 1.20 0.04 -0.72 -0.40 135.00 137.66 1i14 s PRO 44 Ca 0.26 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 1i14 s PRO 44 Cb 0.37 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1i14 s PRO 44 CO -0.05 -0.57 1.06 -1.17 0.04 0.00 0.00 177.00 176.30 1i14 s LEU 45 N -5.16 4.21 -0.24 -3.56 2.96 -0.20 -4.56 118.68 112.11 1i14 s LEU 45 Ca 0.55 1.54 -0.27 0.00 -0.22 0.00 0.00 54.13 55.73 1i14 s LEU 45 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1i14 s LEU 45 CO 0.53 -0.55 0.94 -0.69 -1.32 0.00 0.00 176.35 175.27 1i14 s VAL 46 N 2.45 4.75 -0.30 1.68 1.01 0.59 -1.53 120.40 129.04 1i14 s VAL 46 Ca 0.49 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 64.14 1i14 s VAL 46 Cb -0.18 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1i14 s VAL 46 CO 0.15 -0.14 0.20 -0.76 0.00 0.00 0.00 175.10 174.55 1i14 s LEU 47 N 3.05 4.20 -0.51 3.92 1.43 0.51 -0.26 118.68 131.02 1i14 s LEU 47 Ca 0.40 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1i14 s LEU 47 Cb -0.15 -2.11 0.12 0.00 0.03 0.00 0.00 46.19 44.08 1i14 s LEU 47 CO 0.07 -0.13 0.44 -0.63 0.23 0.00 0.00 176.35 176.33 1i14 s ILE 48 N 1.73 4.96 -0.21 -0.59 1.01 -0.70 -0.05 121.20 127.35 1i14 s ILE 48 Ca 0.06 -1.49 -0.25 0.00 0.00 0.00 0.00 60.65 58.98 1i14 s ILE 48 Cb -0.17 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1i14 s ILE 48 CO 0.10 -0.79 0.81 -0.55 0.00 0.00 0.00 174.94 174.51 1i14 s SER 49 N 3.19 6.87 -0.65 3.58 0.15 -0.03 -0.61 113.70 126.21 1i14 s SER 49 Ca 0.04 1.08 -0.23 0.00 0.70 0.00 0.00 55.95 57.54 1i14 s SER 49 Cb -0.28 -2.44 0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1i14 s SER 49 CO 0.03 -0.44 0.97 -0.69 1.20 0.00 0.00 173.24 174.31 1i14 s VAL 50 N 2.46 4.30 0.53 4.45 1.01 -1.02 -1.68 120.40 130.44 1i14 s VAL 50 Ca 0.36 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 1i14 s VAL 50 Cb -0.16 -4.68 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 1i14 s VAL 50 CO 0.10 -1.44 1.02 -0.76 0.00 0.00 0.00 175.10 174.02 1i14 s LEU 51 N 4.12 3.66 -0.05 3.92 1.43 0.16 -1.99 118.68 129.94 1i14 s LEU 51 Ca 0.23 1.75 -0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1i14 s LEU 51 Cb -0.16 -4.53 -0.27 0.00 0.03 0.00 0.00 46.19 41.26 1i14 s LEU 51 CO 0.11 -0.81 0.66 0.11 0.23 0.00 0.00 176.35 176.65 1i14 h LYS 52 N 0.99 0.25 -1.07 1.70 1.57 -1.87 -2.92 116.57 115.22 1i14 h LYS 52 Ca -0.48 -0.42 0.29 0.00 -1.87 0.00 0.00 60.65 58.17 1i14 h LYS 52 Cb 1.20 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.59 1i14 h LYS 52 CO 0.59 1.10 0.71 0.78 -0.57 0.00 0.00 179.45 182.07 1i14 h GLY 53 N 1.57 0.84 2.00 3.86 0.00 -1.72 -1.90 103.07 107.72 1i14 h GLY 53 Ca -0.32 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1i14 h GLY 53 CO 0.13 -0.10 0.00 -1.26 0.00 0.00 0.00 176.54 175.31 1i14 n SER 54 N -4.49 0.00 -0.30 0.19 2.88 -0.84 -4.16 113.62 106.90 1i14 n SER 54 Ca 0.25 0.50 0.11 0.00 -1.33 0.00 0.00 58.87 58.40 1i14 n SER 54 Cb 0.98 -0.50 0.27 0.00 -0.75 0.00 0.00 64.21 64.21 1i14 n SER 54 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1i14 h PHE 55 N 0.00 0.69 0.01 0.66 -5.15 -1.58 0.15 116.94 111.72 1i14 h PHE 55 Ca 0.00 0.04 -0.07 0.00 -0.20 0.00 0.00 57.97 57.74 1i14 h PHE 55 Cb 0.40 -0.17 0.01 0.00 0.22 0.00 0.00 35.95 36.40 1i14 h PHE 55 CO 0.00 0.04 -0.28 1.98 -2.00 0.00 0.00 178.31 178.06 1i14 h MET 56 N 0.48 0.17 -0.81 6.09 4.05 -1.84 -2.18 114.93 120.89 1i14 h MET 56 Ca 0.52 -0.19 0.07 0.00 -0.28 0.00 0.00 59.70 59.82 1i14 h MET 56 Cb 0.90 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.69 1i14 h MET 56 CO -0.46 0.96 0.48 0.35 0.23 0.00 0.00 176.91 178.46 1i14 h PHE 57 N -0.54 0.88 -0.47 1.39 3.57 -1.71 -1.96 116.94 118.09 1i14 h PHE 57 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1i14 h PHE 57 Cb 1.06 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1i14 h PHE 57 CO 0.19 0.41 0.22 1.15 -2.23 0.00 0.00 178.31 178.06 1i14 h THR 58 N 0.85 1.19 -0.41 4.41 2.02 -0.71 0.94 112.91 121.20 1i14 h THR 58 Ca 0.37 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1i14 h THR 58 Cb 0.23 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1i14 h THR 58 CO -0.20 0.21 0.25 0.00 0.37 0.00 0.00 175.52 176.16 1i14 h ALA 59 N 1.06 0.53 -0.04 6.16 0.00 -0.90 -1.30 119.26 124.77 1i14 h ALA 59 Ca 0.16 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1i14 h ALA 59 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i14 h ALA 59 CO -0.02 0.01 -0.79 -0.44 0.00 0.00 0.00 179.25 178.02 1i14 h ASP 60 N 0.55 0.41 -0.28 0.00 3.32 -1.23 -3.22 116.42 115.96 1i14 h ASP 60 Ca 0.15 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 1i14 h ASP 60 Cb -0.01 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1i14 h ASP 60 CO -0.03 1.04 -0.30 0.25 -1.72 0.00 0.00 179.24 178.48 1i14 h LEU 61 N 0.21 0.75 -1.49 1.55 5.85 -0.69 -2.29 115.31 119.20 1i14 h LEU 61 Ca -0.04 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1i14 h LEU 61 Cb 1.38 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1i14 h LEU 61 CO 0.13 1.08 -0.10 0.00 -0.34 0.00 0.00 178.44 179.20 1i14 h ARG 63 N 0.19 0.62 -0.66 0.00 3.08 -1.55 0.06 114.38 116.13 1i14 h ARG 63 Ca 0.04 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1i14 h ARG 63 Cb 0.31 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1i14 h ARG 63 CO 0.02 0.99 0.27 0.00 -1.07 0.00 0.00 179.97 180.19 1i14 h ALA 64 N 0.62 1.24 -0.40 0.04 0.00 -0.81 -0.10 119.26 119.86 1i14 h ALA 64 Ca 0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1i14 h ALA 64 Cb 0.94 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1i14 h ALA 64 CO 0.08 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.64 1i14 h LEU 65 N 0.94 0.76 -0.92 0.00 3.38 -0.44 -2.52 115.31 116.51 1i14 h LEU 65 Ca 0.22 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1i14 h LEU 65 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1i14 h LEU 65 CO -0.02 0.93 0.28 0.00 0.09 0.00 0.00 178.44 179.72 1i14 h ASP 67 N 1.04 0.44 -0.62 0.00 3.32 -0.61 -0.89 116.42 119.11 1i14 h ASP 67 Ca 0.24 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1i14 h ASP 67 Cb 0.21 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1i14 h ASP 67 CO -0.02 0.24 0.17 0.49 -1.72 0.00 0.00 179.24 178.40 1i14 n PHE 68 N -4.49 2.11 -2.16 4.55 3.01 -0.75 -4.94 117.46 114.80 1i14 n PHE 68 Ca 0.13 -0.94 -0.19 0.00 1.01 0.00 0.00 57.45 57.46 1i14 n PHE 68 Cb 0.46 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 39.31 1i14 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i14 n ASN 69 N 0.13 -5.34 -4.51 4.37 3.02 -0.34 -4.96 115.26 107.63 1i14 n ASN 69 Ca 0.33 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.61 1i14 n ASN 69 Cb 1.22 -4.54 -0.07 0.00 -0.61 0.00 0.00 39.78 35.78 1i14 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i14 s VAL 70 N -2.85 4.85 0.12 2.41 1.01 -0.74 -5.02 120.40 120.18 1i14 s VAL 70 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1i14 s VAL 70 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1i14 s VAL 70 CO 0.00 -0.58 1.12 -2.16 0.00 0.00 0.00 175.10 173.48 1i14 s PRO 71 N 2.76 4.53 0.24 2.72 0.04 -1.26 -4.26 135.00 139.77 1i14 s PRO 71 Ca 0.22 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1i14 s PRO 71 Cb -0.14 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1i14 s PRO 71 CO 0.19 -0.06 -0.09 0.14 0.04 0.00 0.00 177.00 177.22 1i14 s VAL 72 N 0.35 1.60 -0.08 -0.36 -7.23 -1.26 -1.04 120.40 112.38 1i14 s VAL 72 Ca 0.53 -2.15 -0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1i14 s VAL 72 Cb -0.29 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1i14 s VAL 72 CO 0.32 -0.45 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.00 1i14 s ARG 73 N -3.71 1.20 0.02 4.82 3.52 -0.58 -4.83 118.95 119.39 1i14 s ARG 73 Ca 0.26 -0.16 -0.20 0.00 -0.13 0.00 0.00 55.73 55.50 1i14 s ARG 73 Cb 0.02 -1.28 -0.06 0.00 -1.56 0.00 0.00 34.95 32.07 1i14 s ARG 73 CO 0.09 -0.21 0.58 -1.64 -0.81 0.00 0.00 175.30 173.31 1i14 s MET 74 N 1.51 4.27 -0.04 5.12 -1.94 -1.26 -0.37 119.30 126.58 1i14 s MET 74 Ca -0.00 0.71 0.03 0.00 -1.71 0.00 0.00 55.69 54.72 1i14 s MET 74 Cb -0.13 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.41 1i14 s MET 74 CO -0.05 0.46 -0.12 -1.21 -0.01 0.00 0.00 175.02 174.10 1i14 s GLU 75 N -0.49 1.40 -0.19 2.03 0.41 0.93 -4.93 118.70 117.87 1i14 s GLU 75 Ca 0.30 -0.40 -0.01 0.00 -0.41 0.00 0.00 54.97 54.45 1i14 s GLU 75 Cb -0.18 -1.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.94 1i14 s GLU 75 CO 0.17 0.10 -0.12 -0.06 -0.49 0.00 0.00 175.26 174.86 1i14 s PHE 76 N 0.38 2.85 0.39 1.61 0.40 -1.26 -0.85 117.98 121.50 1i14 s PHE 76 Ca -0.08 -1.15 0.08 0.00 -0.60 0.00 0.00 56.93 55.18 1i14 s PHE 76 Cb -0.12 -1.98 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 1i14 s PHE 76 CO 0.02 -0.58 0.06 0.96 0.70 0.00 0.00 175.22 176.38 1i14 s ILE 77 N 1.17 2.26 -0.04 0.64 -4.36 -0.68 -4.64 121.20 115.55 1i14 s ILE 77 Ca 0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1i14 s ILE 77 Cb -0.14 -2.93 0.03 0.00 1.25 0.00 0.00 42.46 40.66 1i14 s ILE 77 CO -0.05 -0.06 -0.01 0.00 0.24 0.00 0.00 174.94 175.06 1i14 s VAL 79 N 1.17 0.51 0.04 0.00 1.01 -1.10 -0.44 120.40 121.60 1i14 s VAL 79 Ca -0.07 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1i14 s VAL 79 Cb -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1i14 s VAL 79 CO -0.02 0.15 -0.21 -0.55 0.00 0.00 0.00 175.10 174.47 1i14 s SER 80 N -0.09 2.50 0.00 3.32 0.15 0.06 -4.56 113.70 115.09 1i14 s SER 80 Ca 0.02 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1i14 s SER 80 Cb -0.03 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1i14 s SER 80 CO -0.00 0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.37 1i14 n SER 81 N 1.88 0.00 0.04 5.45 2.88 -1.26 -0.09 113.62 122.51 1i14 n SER 81 Ca -0.17 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.36 1i14 n SER 81 Cb 0.53 0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 1i14 n SER 81 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1i14 h TYR 82 N 0.00 0.00 0.00 0.66 -1.99 -1.87 -2.57 116.97 111.19 1i14 h TYR 82 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i14 h TYR 82 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1i14 h TYR 82 CO 0.00 0.65 0.00 0.41 -0.00 0.00 0.00 178.16 179.22 1i14 n GLY 83 N 1.40 3.58 0.65 3.88 0.00 -1.26 -1.89 105.19 111.54 1i14 n GLY 83 Ca -0.09 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1i14 n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i14 n GLU 84 N 13.98 1.87 -1.35 1.61 1.02 -1.26 -4.46 120.64 132.05 1i14 n GLU 84 Ca 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 57.16 55.82 1i14 n GLU 84 Cb 0.00 -1.43 0.01 0.00 -0.02 0.00 0.00 31.44 29.99 1i14 n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i14 n GLY 85 N 1.21 2.20 0.01 0.62 0.00 -0.79 -4.15 105.19 104.27 1i14 n GLY 85 Ca 0.17 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 44.14 1i14 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i14 n LEU 86 N 0.00 0.24 -4.31 0.99 4.77 -1.26 -4.65 117.00 112.78 1i14 n LEU 86 Ca 0.01 -0.13 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 1i14 n LEU 86 Cb 0.07 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1i14 n LEU 86 CO 0.04 0.06 -0.46 0.42 -1.33 0.00 0.00 177.39 176.13 1i14 s THR 87 N -3.25 1.65 0.31 -5.08 -4.23 -1.26 -5.06 115.64 98.73 1i14 s THR 87 Ca -0.03 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.20 1i14 s THR 87 Cb 0.13 -1.85 -0.12 0.00 1.34 0.00 0.00 72.50 72.01 1i14 s THR 87 CO 0.83 -0.46 1.43 -0.24 -0.54 0.00 0.00 174.62 175.64 1i14 n SER 88 N 0.08 3.22 0.24 3.99 2.88 -1.26 -4.68 113.62 118.08 1i14 n SER 88 Ca -0.12 1.18 0.14 0.00 -1.33 0.00 0.00 58.87 58.75 1i14 n SER 88 Cb 0.58 -1.52 0.38 0.00 -0.75 0.00 0.00 64.21 62.90 1i14 n SER 88 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i14 h SER 89 N 3.51 0.00 0.00 -3.46 4.64 -1.78 -3.46 113.55 113.00 1i14 h SER 89 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i14 h SER 89 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1i14 h SER 89 CO 0.70 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1i14 n GLY 90 N 0.69 0.70 3.19 -0.77 0.00 -1.26 -5.03 105.19 102.71 1i14 n GLY 90 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1i14 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i14 s GLN 91 N -0.69 1.34 -0.22 1.61 -0.21 -1.26 -5.12 119.66 115.11 1i14 s GLN 91 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.63 1i14 s GLN 91 Cb 0.00 -1.35 0.03 0.00 1.00 0.00 0.00 33.01 32.68 1i14 s GLN 91 CO 0.00 0.36 -0.12 0.08 -2.12 0.00 0.00 175.29 173.48 1i14 s VAL 92 N -0.60 2.46 -0.20 1.09 1.01 -1.26 -4.36 120.40 118.54 1i14 s VAL 92 Ca 0.06 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1i14 s VAL 92 Cb -0.08 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1i14 s VAL 92 CO 0.00 0.31 0.09 -0.13 0.00 0.00 0.00 175.10 175.38 1i14 s ARG 93 N 1.28 4.03 -0.54 2.72 3.00 0.87 -4.94 118.95 125.36 1i14 s ARG 93 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 55.73 55.21 1i14 s ARG 93 Cb -0.16 -3.31 0.05 0.00 0.00 0.00 0.00 34.95 31.54 1i14 s ARG 93 CO -0.08 0.24 0.84 1.41 0.00 0.00 0.00 175.30 177.71 1i14 s MET 94 N 0.49 3.25 -0.10 3.54 -2.45 -1.26 -0.76 119.30 122.01 1i14 s MET 94 Ca 0.05 -0.51 -0.13 0.00 -1.25 0.00 0.00 55.69 53.86 1i14 s MET 94 Cb -0.12 -4.08 -0.27 0.00 1.25 0.00 0.00 34.83 31.60 1i14 s MET 94 CO 0.00 -1.43 0.52 -0.07 1.05 0.00 0.00 175.02 175.09 1i14 h LEU 95 N 10.60 0.43 -7.34 4.11 3.38 -1.13 -3.47 115.31 121.88 1i14 h LEU 95 Ca -0.27 -0.88 -0.29 0.00 0.09 0.00 0.00 57.88 56.54 1i14 h LEU 95 Cb 1.08 -0.14 -0.35 0.00 0.09 0.00 0.00 40.66 41.34 1i14 h LEU 95 CO 1.06 1.71 -0.65 -0.22 0.09 0.00 0.00 178.44 180.44 1i14 s LEU 96 N -7.39 0.30 0.47 1.67 2.96 -0.83 -4.92 118.68 110.95 1i14 s LEU 96 Ca -0.20 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1i14 s LEU 96 Cb 0.05 0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.99 1i14 s LEU 96 CO 0.78 -0.20 0.64 -0.62 -1.32 0.00 0.00 176.35 175.63 1i14 s ASP 97 N 1.82 5.48 0.71 3.68 -1.08 -1.26 -0.86 116.67 125.16 1i14 s ASP 97 Ca -0.02 -0.45 -0.16 0.00 -0.52 0.00 0.00 52.55 51.40 1i14 s ASP 97 Cb -0.12 -0.49 -0.01 0.00 -1.46 0.00 0.00 42.92 40.85 1i14 s ASP 97 CO -0.05 -0.94 0.87 0.35 0.52 0.00 0.00 175.17 175.91 1i14 n THR 98 N -2.00 2.63 0.13 1.71 -2.24 -1.26 -4.82 114.28 108.42 1i14 n THR 98 Ca 0.10 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 1i14 n THR 98 Cb 0.60 -1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 67.65 1i14 n THR 98 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1i14 h ARG 99 N -0.23 0.48 -6.04 -0.78 -0.00 -1.97 -3.47 114.38 102.37 1i14 h ARG 99 Ca -0.47 -0.83 -0.53 0.00 -0.00 0.00 0.00 59.98 58.16 1i14 h ARG 99 Cb 1.34 0.31 -0.06 0.00 -0.00 0.00 0.00 29.97 31.56 1i14 h ARG 99 CO 0.46 1.39 -0.44 -1.01 -0.00 0.00 0.00 179.97 180.37 1i14 s HIS 100 N -2.60 2.66 0.25 4.08 3.76 -1.26 -5.11 115.29 117.07 1i14 s HIS 100 Ca -0.10 -0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 54.00 1i14 s HIS 100 Cb 0.05 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.58 1i14 s HIS 100 CO 0.92 0.04 0.91 0.45 -0.85 0.00 0.00 174.74 176.21 1i14 s SER 101 N -4.02 7.51 0.00 1.40 0.15 -1.26 -4.95 113.70 112.53 1i14 s SER 101 Ca 0.45 1.85 0.25 0.00 0.70 0.00 0.00 55.95 59.20 1i14 s SER 101 Cb 0.00 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.19 1i14 s SER 101 CO 0.25 0.10 1.38 2.30 1.20 0.00 0.00 173.24 178.47 1i14 n ILE 102 N 1.23 0.00 -1.68 6.45 -5.35 -1.26 -4.93 119.36 113.82 1i14 n ILE 102 Ca -0.02 -0.21 -0.46 0.00 -0.27 0.00 0.00 62.75 61.79 1i14 n ILE 102 Cb 0.48 0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 1i14 n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i14 n GLU 103 N -0.20 2.30 -0.98 6.28 2.13 -1.25 -1.73 120.64 127.18 1i14 n GLU 103 Ca 0.12 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1i14 n GLU 103 Cb 0.41 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.46 1i14 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i14 n GLY 104 N 4.01 0.74 3.70 8.31 0.00 -0.26 -4.87 105.19 116.82 1i14 n GLY 104 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1i14 n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i14 s HIS 105 N -3.03 2.82 -0.34 1.61 3.76 -0.71 -4.16 115.29 115.24 1i14 s HIS 105 Ca 0.00 -0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.49 1i14 s HIS 105 Cb 0.00 -1.25 0.01 0.00 1.11 0.00 0.00 32.58 32.44 1i14 s HIS 105 CO 0.00 0.59 0.79 -1.01 -0.85 0.00 0.00 174.74 174.27 1i14 s HIS 106 N -2.26 3.14 -0.07 1.40 3.76 -1.26 0.49 115.29 120.49 1i14 s HIS 106 Ca 0.32 0.67 0.02 0.00 -0.15 0.00 0.00 55.06 55.92 1i14 s HIS 106 Cb -0.07 -3.34 -0.02 0.00 1.11 0.00 0.00 32.58 30.25 1i14 s HIS 106 CO 0.21 -0.67 -0.13 0.08 -0.85 0.00 0.00 174.74 173.38 1i14 s VAL 107 N 3.07 3.11 -0.23 -0.90 1.01 -0.51 -0.30 120.40 125.66 1i14 s VAL 107 Ca 0.32 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1i14 s VAL 107 Cb -0.13 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.06 1i14 s VAL 107 CO 0.15 0.57 0.00 -0.22 0.00 0.00 0.00 175.10 175.61 1i14 s LEU 108 N -0.43 2.00 0.13 3.92 2.96 0.64 -1.61 118.68 126.28 1i14 s LEU 108 Ca 0.05 -1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 52.55 1i14 s LEU 108 Cb -0.12 -0.91 -0.07 0.00 0.50 0.00 0.00 46.19 45.60 1i14 s LEU 108 CO 0.02 -0.29 1.14 -0.63 -1.32 0.00 0.00 176.35 175.27 1i14 s ILE 109 N 1.61 3.95 -0.24 6.68 1.01 -0.01 -1.72 121.20 132.48 1i14 s ILE 109 Ca -0.02 1.55 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 1i14 s ILE 109 Cb -0.18 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1i14 s ILE 109 CO -0.09 0.20 -0.06 -0.69 0.00 0.00 0.00 174.94 174.31 1i14 s VAL 110 N 0.31 3.07 0.12 2.92 1.01 0.22 -0.91 120.40 127.16 1i14 s VAL 110 Ca 0.53 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1i14 s VAL 110 Cb -0.29 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1i14 s VAL 110 CO 0.33 0.30 -0.18 -1.61 0.00 0.00 0.00 175.10 173.94 1i14 s GLU 111 N 1.39 1.12 0.02 2.72 0.41 -0.27 -2.45 118.70 121.65 1i14 s GLU 111 Ca 0.03 -1.23 -0.07 0.00 -0.41 0.00 0.00 54.97 53.28 1i14 s GLU 111 Cb -0.15 -1.21 -0.30 0.00 -1.78 0.00 0.00 34.13 30.68 1i14 s GLU 111 CO -0.04 0.26 0.94 0.38 -0.49 0.00 0.00 175.26 176.31 1i14 h ASP 112 N 3.73 0.54 -4.78 -0.19 2.03 -1.86 -1.34 116.42 114.53 1i14 h ASP 112 Ca -0.43 -0.65 -0.06 0.00 -0.73 0.00 0.00 57.03 55.15 1i14 h ASP 112 Cb 1.19 -0.17 -0.20 0.00 -0.83 0.00 0.00 39.33 39.32 1i14 h ASP 112 CO 0.45 1.53 0.11 -0.51 -1.03 0.00 0.00 179.24 179.80 1i14 s ILE 113 N -2.62 0.01 -0.08 4.15 2.07 -1.26 -1.14 121.20 122.33 1i14 s ILE 113 Ca -0.08 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 1i14 s ILE 113 Cb 0.06 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1i14 s ILE 113 CO 0.88 -0.03 -0.15 0.54 -1.91 0.00 0.00 174.94 174.27 1i14 s VAL 114 N -0.88 1.39 0.00 4.00 0.11 -0.63 -4.97 120.40 119.43 1i14 s VAL 114 Ca -0.09 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1i14 s VAL 114 Cb -0.02 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1i14 s VAL 114 CO 0.07 0.41 0.00 1.21 -3.33 0.00 0.00 175.10 173.47 1i14 n GLU 115 N 3.74 0.00 0.24 1.54 2.13 -1.26 -1.14 120.64 125.89 1i14 n GLU 115 Ca -0.22 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.73 1i14 n GLU 115 Cb 0.52 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.70 1i14 n GLU 115 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1i14 h THR 116 N 0.00 0.23 -0.10 6.31 1.35 -1.88 -2.69 112.91 116.13 1i14 h THR 116 Ca 0.00 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 1i14 h THR 116 Cb 0.00 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 1i14 h THR 116 CO 0.00 0.10 -0.04 0.00 -0.25 0.00 0.00 175.52 175.33 1i14 n ALA 117 N -2.14 -0.03 -0.15 6.62 0.00 -1.26 -0.93 120.51 122.60 1i14 n ALA 117 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1i14 n ALA 117 Cb 0.42 -0.69 0.13 0.00 0.00 0.00 0.00 19.45 19.31 1i14 n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i14 h LEU 118 N 0.00 0.86 0.85 0.00 3.38 -1.90 -0.82 115.31 117.67 1i14 h LEU 118 Ca -0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1i14 h LEU 118 Cb 0.40 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1i14 h LEU 118 CO 0.06 0.87 -0.41 0.74 0.09 0.00 0.00 178.44 179.80 1i14 h THR 119 N 0.85 0.02 -0.23 0.22 2.02 -1.96 -1.95 112.91 111.87 1i14 h THR 119 Ca 0.17 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1i14 h THR 119 Cb 0.40 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1i14 h THR 119 CO 0.01 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.74 1i14 h LEU 120 N -1.29 0.35 -0.52 2.58 3.38 -1.96 -0.87 115.31 116.97 1i14 h LEU 120 Ca -0.12 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1i14 h LEU 120 Cb 0.88 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1i14 h LEU 120 CO 0.19 0.49 0.08 -1.13 0.09 0.00 0.00 178.44 178.16 1i14 h ASN 121 N 0.35 0.83 0.08 -0.43 -1.24 -1.19 0.18 115.58 114.16 1i14 h ASN 121 Ca 0.07 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.81 1i14 h ASN 121 Cb 0.39 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1i14 h ASN 121 CO 0.02 0.89 -0.04 0.22 -1.29 0.00 0.00 177.43 177.23 1i14 h TYR 122 N 0.75 -0.10 -0.38 0.67 3.20 -0.86 -2.06 116.97 118.20 1i14 h TYR 122 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1i14 h TYR 122 Cb 0.41 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1i14 h TYR 122 CO 0.03 0.03 0.24 -0.07 -1.64 0.00 0.00 178.16 176.75 1i14 h LEU 123 N -0.20 0.43 -0.78 2.82 3.38 -0.90 -2.46 115.31 117.60 1i14 h LEU 123 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1i14 h LEU 123 Cb 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1i14 h LEU 123 CO 0.02 0.32 0.41 1.88 0.09 0.00 0.00 178.44 181.16 1i14 h TYR 124 N 0.51 1.09 0.00 1.13 -1.99 -0.61 0.12 116.97 117.21 1i14 h TYR 124 Ca 0.14 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1i14 h TYR 124 Cb -0.05 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.34 1i14 h TYR 124 CO -0.05 0.77 0.00 0.45 -0.00 0.00 0.00 178.16 179.33 1i14 h HIS 125 N 1.09 0.00 0.05 4.88 3.86 -1.23 0.71 115.15 124.52 1i14 h HIS 125 Ca 0.27 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.23 1i14 h HIS 125 Cb 0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1i14 h HIS 125 CO 0.00 0.00 -1.35 1.98 0.86 0.00 0.00 177.93 179.42 1i14 h MET 126 N 0.00 0.11 -0.00 2.45 1.85 -0.82 -3.38 114.93 115.14 1i14 h MET 126 Ca 0.00 -0.19 -0.18 0.00 -0.61 0.00 0.00 59.70 58.71 1i14 h MET 126 Cb 0.53 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.62 1i14 h MET 126 CO 0.00 1.09 -0.83 1.88 -0.40 0.00 0.00 176.91 178.65 1i14 h TYR 127 N -0.62 0.19 -0.60 1.39 0.99 -0.76 -3.27 116.97 114.28 1i14 h TYR 127 Ca -0.33 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.29 1i14 h TYR 127 Cb 1.54 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 39.22 1i14 h TYR 127 CO 0.11 0.90 0.34 0.35 -0.00 0.00 0.00 178.16 179.86 1i14 h PHE 128 N 0.07 0.80 0.00 4.88 3.57 -1.06 -1.32 116.94 123.88 1i14 h PHE 128 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1i14 h PHE 128 Cb 1.45 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1i14 h PHE 128 CO 0.02 0.55 0.00 1.79 -2.23 0.00 0.00 178.31 178.44 1i14 h THR 129 N 0.83 0.00 -0.05 4.41 1.35 -1.73 -2.73 112.91 114.99 1i14 h THR 129 Ca 0.22 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1i14 h THR 129 Cb 0.00 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1i14 h THR 129 CO -0.04 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.77 1i14 n ARG 130 N -2.67 1.36 -3.37 4.72 1.74 -0.50 -4.96 116.66 112.98 1i14 n ARG 130 Ca 0.01 -0.53 -0.16 0.00 -0.77 0.00 0.00 57.85 56.40 1i14 n ARG 130 Cb 0.23 -1.41 0.08 0.00 -1.02 0.00 0.00 32.46 30.34 1i14 n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i14 n ARG 131 N -0.31 -5.48 -1.31 5.56 1.74 -1.03 -3.85 116.66 111.99 1i14 n ARG 131 Ca 0.18 0.85 -0.31 0.00 -0.77 0.00 0.00 57.85 57.80 1i14 n ARG 131 Cb 0.22 -5.83 0.09 0.00 -1.02 0.00 0.00 32.46 25.92 1i14 n ARG 131 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1i14 s PRO 132 N -5.10 2.18 0.43 5.56 0.04 -1.26 -1.10 135.00 135.75 1i14 s PRO 132 Ca 0.11 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.30 1i14 s PRO 132 Cb -0.01 -1.90 0.95 0.00 0.04 0.00 0.00 34.50 33.58 1i14 s PRO 132 CO 0.73 -1.66 2.06 0.00 0.04 0.00 0.00 177.00 178.16 1i14 h ALA 133 N -1.14 1.75 -1.89 8.56 0.00 -0.12 -3.42 119.26 123.00 1i14 h ALA 133 Ca -0.45 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1i14 h ALA 133 Cb 1.24 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1i14 h ALA 133 CO 0.53 0.21 0.45 -1.54 0.00 0.00 0.00 179.25 178.91 1i14 s SER 134 N -6.82 -0.43 -0.05 0.00 1.04 -1.16 -4.93 113.70 101.35 1i14 s SER 134 Ca -0.07 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 1i14 s SER 134 Cb 0.17 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1i14 s SER 134 CO 0.72 -0.49 0.03 -0.22 0.98 0.00 0.00 173.24 174.26 1i14 s LEU 135 N -1.55 0.39 0.20 2.42 2.96 -1.26 -1.42 118.68 120.42 1i14 s LEU 135 Ca -0.02 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1i14 s LEU 135 Cb -0.01 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 1i14 s LEU 135 CO -0.00 -0.22 0.06 -0.54 -1.32 0.00 0.00 176.35 174.33 1i14 s LYS 136 N 2.02 1.19 0.02 1.98 1.02 -0.63 -5.03 119.74 120.31 1i14 s LYS 136 Ca 0.04 -1.61 0.04 0.00 0.02 0.00 0.00 55.97 54.46 1i14 s LYS 136 Cb -0.12 -0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1i14 s LYS 136 CO -0.04 -0.24 -0.11 0.99 -0.92 0.00 0.00 175.35 175.04 1i14 s THR 137 N -3.81 0.86 -0.13 2.17 2.01 -1.26 -0.83 115.64 114.65 1i14 s THR 137 Ca 0.30 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1i14 s THR 137 Cb 0.07 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1i14 s THR 137 CO 0.08 0.01 -0.13 0.54 -0.69 0.00 0.00 174.62 174.43 1i14 s VAL 138 N -0.70 1.44 -0.05 3.82 0.11 -0.08 -1.83 120.40 123.10 1i14 s VAL 138 Ca 0.00 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.54 1i14 s VAL 138 Cb -0.07 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1i14 s VAL 138 CO 0.01 0.44 -0.20 0.68 -3.33 0.00 0.00 175.10 172.69 1i14 s VAL 139 N 1.40 2.54 -0.00 2.04 -7.23 -0.63 -1.11 120.40 117.40 1i14 s VAL 139 Ca 0.02 -0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 59.03 1i14 s VAL 139 Cb -0.13 -1.96 -0.19 0.00 0.56 0.00 0.00 36.38 34.66 1i14 s VAL 139 CO -0.08 0.58 1.34 0.25 -0.31 0.00 0.00 175.10 176.88 1i14 h LEU 140 N 5.72 -0.02 -8.56 1.32 5.85 -1.21 -2.44 115.31 115.97 1i14 h LEU 140 Ca -0.39 -0.39 -0.62 0.00 0.84 0.00 0.00 57.88 57.32 1i14 h LEU 140 Cb 1.16 0.01 -0.27 0.00 0.37 0.00 0.00 40.66 41.92 1i14 h LEU 140 CO 0.49 0.38 -0.86 -0.76 -0.34 0.00 0.00 178.44 177.36 1i14 s LEU 141 N -9.40 2.13 -0.10 2.25 1.43 -0.29 -1.41 118.68 113.28 1i14 s LEU 141 Ca -0.15 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1i14 s LEU 141 Cb 0.02 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1i14 s LEU 141 CO 0.66 0.22 -0.08 -0.62 0.23 0.00 0.00 176.35 176.76 1i14 s ASP 142 N -0.98 2.09 -1.16 2.29 -1.08 -0.06 -1.60 116.67 116.18 1i14 s ASP 142 Ca 0.09 -0.29 -0.09 0.00 -0.52 0.00 0.00 52.55 51.73 1i14 s ASP 142 Cb -0.09 -0.82 0.24 0.00 -1.46 0.00 0.00 42.92 40.79 1i14 s ASP 142 CO 0.01 -0.10 1.39 0.29 0.52 0.00 0.00 175.17 177.28 1i14 n LYS 143 N 4.79 3.73 -0.34 4.34 5.02 -0.29 -0.98 118.16 134.43 1i14 n LYS 143 Ca -0.14 -4.20 0.26 0.00 -2.02 0.00 0.00 58.31 52.21 1i14 n LYS 143 Cb 0.50 -2.72 0.51 0.00 -0.02 0.00 0.00 35.03 33.30 1i14 n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i14 h ARG 144 N 6.35 0.26 -0.66 1.97 3.08 -1.83 -1.05 114.38 122.50 1i14 h ARG 144 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1i14 h ARG 144 Cb 0.78 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1i14 h ARG 144 CO 1.24 0.17 0.00 0.39 -1.07 0.00 0.00 179.97 180.70 1i14 n GLU 145 N -5.02 2.75 -0.15 0.04 1.02 -1.26 -4.15 120.64 113.86 1i14 n GLU 145 Ca 0.33 -1.62 0.07 0.00 -0.02 0.00 0.00 57.16 55.93 1i14 n GLU 145 Cb 1.06 -1.73 0.16 0.00 -0.02 0.00 0.00 31.44 30.90 1i14 n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i14 n GLY 146 N 0.57 1.80 3.78 0.62 0.00 -0.40 -5.03 105.19 106.53 1i14 n GLY 146 Ca 0.14 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1i14 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i14 s ARG 147 N -1.08 4.00 -0.07 1.61 1.81 -1.01 -3.33 118.95 120.88 1i14 s ARG 147 Ca 0.26 2.55 0.10 0.00 -1.72 0.00 0.00 55.73 56.92 1i14 s ARG 147 Cb 0.15 -2.89 -0.15 0.00 -0.45 0.00 0.00 34.95 31.61 1i14 s ARG 147 CO 0.20 -0.62 0.11 0.54 -0.68 0.00 0.00 175.30 174.86 1i14 n ARG 148 N 0.29 1.58 -4.12 3.54 1.74 -0.11 -4.93 116.66 114.64 1i14 n ARG 148 Ca 0.02 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 1i14 n ARG 148 Cb 0.40 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.43 1i14 n ARG 148 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i14 s VAL 149 N -2.45 0.47 0.32 1.55 0.11 -1.09 -5.09 120.40 114.22 1i14 s VAL 149 Ca -0.05 -0.56 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1i14 s VAL 149 Cb 0.05 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1i14 s VAL 149 CO 0.45 -0.08 1.27 -2.16 -3.33 0.00 0.00 175.10 171.25 1i14 s PRO 150 N -0.70 4.40 -0.29 1.54 0.04 -1.26 -4.64 135.00 134.10 1i14 s PRO 150 Ca -0.03 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1i14 s PRO 150 Cb -0.05 -3.09 0.11 0.00 0.04 0.00 0.00 34.50 31.50 1i14 s PRO 150 CO 0.00 -0.12 0.79 0.12 0.04 0.00 0.00 177.00 177.83 1i14 s PHE 151 N -1.11 -0.92 -0.24 0.56 5.36 -1.26 -4.97 117.98 115.40 1i14 s PHE 151 Ca 0.48 1.79 0.02 0.00 -0.96 0.00 0.00 56.93 58.27 1i14 s PHE 151 Cb -0.38 0.55 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1i14 s PHE 151 CO 0.51 -0.45 -0.08 0.45 -1.46 0.00 0.00 175.22 174.18 1i14 s SER 152 N 1.68 4.07 0.42 6.13 0.15 -1.26 -5.08 113.70 119.82 1i14 s SER 152 Ca -0.09 -1.25 -0.23 0.00 0.70 0.00 0.00 55.95 55.08 1i14 s SER 152 Cb -0.05 -1.35 -0.09 0.00 -1.71 0.00 0.00 66.02 62.82 1i14 s SER 152 CO -0.18 -0.21 1.05 0.00 1.20 0.00 0.00 173.24 175.10 1i14 s ALA 153 N 1.26 3.02 0.26 5.45 0.00 -1.26 -4.96 121.76 125.53 1i14 s ALA 153 Ca -0.07 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 1i14 s ALA 153 Cb -0.19 -3.27 0.33 0.00 0.00 0.00 0.00 23.12 19.99 1i14 s ALA 153 CO -0.06 -0.24 1.69 -0.44 0.00 0.00 0.00 175.76 176.71 1i14 h ASP 154 N 2.22 0.60 -3.75 0.00 3.32 -1.75 -3.43 116.42 113.62 1i14 h ASP 154 Ca -0.49 -0.20 -0.34 0.00 0.02 0.00 0.00 57.03 56.02 1i14 h ASP 154 Cb 1.22 -0.16 -0.30 0.00 0.22 0.00 0.00 39.33 40.30 1i14 h ASP 154 CO 0.61 0.82 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.89 1i14 s TYR 155 N -4.55 0.49 -0.07 4.55 1.51 -0.81 -5.02 117.35 113.45 1i14 s TYR 155 Ca -0.08 -0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1i14 s TYR 155 Cb 0.14 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.62 1i14 s TYR 155 CO 0.81 -0.06 -0.04 0.08 -1.11 0.00 0.00 175.55 175.23 1i14 s VAL 156 N 0.27 0.61 0.10 0.71 1.01 -1.26 -1.61 120.40 120.24 1i14 s VAL 156 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1i14 s VAL 156 Cb -0.06 -0.68 -0.22 0.00 0.00 0.00 0.00 36.38 35.42 1i14 s VAL 156 CO -0.00 0.28 1.24 0.58 0.00 0.00 0.00 175.10 177.19 1i14 h VAL 157 N 6.21 1.36 -2.08 2.92 2.07 -1.31 -3.47 116.25 121.96 1i14 h VAL 157 Ca -0.28 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 64.73 1i14 h VAL 157 Cb 1.14 2.48 -0.20 0.00 -1.52 0.00 0.00 31.29 33.19 1i14 h VAL 157 CO 0.37 0.74 0.12 0.00 0.02 0.00 0.00 177.57 178.82 1i14 s ALA 158 N -3.20 -1.70 -0.09 1.67 0.00 -0.50 -5.03 121.76 112.91 1i14 s ALA 158 Ca -0.07 1.65 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 1i14 s ALA 158 Cb 0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1i14 s ALA 158 CO 0.89 -0.34 0.24 -0.80 0.00 0.00 0.00 175.76 175.75 1i14 s ASN 159 N -0.30 6.51 0.15 0.00 0.02 -1.26 -0.88 114.94 119.18 1i14 s ASN 159 Ca -0.05 0.61 0.02 0.00 -1.02 0.00 0.00 52.86 52.42 1i14 s ASN 159 Cb -0.03 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 39.06 1i14 s ASN 159 CO 0.05 0.33 -0.01 0.27 0.02 0.00 0.00 177.10 177.76 1i14 s ILE 160 N -0.78 0.64 1.02 0.60 -4.36 -0.15 -4.89 121.20 113.28 1i14 s ILE 160 Ca 0.17 -1.96 -0.15 0.00 -0.26 0.00 0.00 60.65 58.45 1i14 s ILE 160 Cb -0.13 -2.00 0.20 0.00 1.25 0.00 0.00 42.46 41.78 1i14 s ILE 160 CO 0.06 -0.58 1.15 -2.84 0.24 0.00 0.00 174.94 172.98 1i14 s PRO 161 N -3.90 0.25 0.00 0.37 0.02 -1.26 -4.37 135.00 126.11 1i14 s PRO 161 Ca 0.21 0.10 0.24 0.00 0.02 0.00 0.00 61.00 61.57 1i14 s PRO 161 Cb 0.06 -1.75 1.44 0.00 0.02 0.00 0.00 34.50 34.26 1i14 s PRO 161 CO 0.01 -2.76 1.82 0.09 -0.33 0.00 0.00 177.00 175.83 1i14 n ASN 162 N -4.12 0.00 -4.75 2.53 4.13 -1.26 -4.87 115.26 106.92 1i14 n ASN 162 Ca 0.10 -0.82 -0.36 0.00 1.68 0.00 0.00 54.58 55.17 1i14 n ASN 162 Cb 0.59 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.86 1i14 n ASN 162 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i14 s ALA 163 N -2.00 2.58 -0.10 5.41 0.00 -1.26 -4.94 121.76 121.45 1i14 s ALA 163 Ca 0.36 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1i14 s ALA 163 Cb 0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1i14 s ALA 163 CO 0.28 -1.17 1.52 0.12 0.00 0.00 0.00 175.76 176.51 1i14 s PHE 164 N -1.56 2.27 0.07 0.00 5.36 -1.26 -5.00 117.98 117.87 1i14 s PHE 164 Ca 0.77 0.48 0.05 0.00 -0.96 0.00 0.00 56.93 57.27 1i14 s PHE 164 Cb -0.31 -3.78 -0.04 0.00 -0.34 0.00 0.00 43.02 38.54 1i14 s PHE 164 CO 0.34 -3.08 -0.05 0.14 -1.46 0.00 0.00 175.22 171.11 1i14 s VAL 165 N 3.93 3.68 0.18 3.12 -7.23 -1.26 -1.44 120.40 121.39 1i14 s VAL 165 Ca 0.67 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1i14 s VAL 165 Cb -0.29 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1i14 s VAL 165 CO 0.25 0.19 0.08 0.27 -0.31 0.00 0.00 175.10 175.58 1i14 s ILE 166 N -1.19 0.23 0.00 -0.62 -4.36 -0.00 -4.61 121.20 110.64 1i14 s ILE 166 Ca 0.22 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1i14 s ILE 166 Cb -0.11 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1i14 s ILE 166 CO 0.14 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1i14 n GLY 167 N -0.24 1.52 3.89 6.27 0.00 -0.04 -1.23 105.19 115.36 1i14 n GLY 167 Ca -0.02 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 1i14 n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i14 n TYR 168 N 1.60 -2.20 0.00 1.61 9.36 -0.14 -1.30 117.16 126.09 1i14 n TYR 168 Ca 0.00 0.89 0.00 0.00 3.32 0.00 0.00 57.90 62.11 1i14 n TYR 168 Cb 0.00 -4.00 0.00 0.00 -0.63 0.00 0.00 39.34 34.71 1i14 n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i14 n GLY 169 N -1.67 3.40 3.74 2.98 0.00 0.88 -4.48 105.19 110.03 1i14 n GLY 169 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1i14 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i14 s LEU 170 N 0.00 4.49 0.36 0.99 1.43 -0.42 -4.16 118.68 121.37 1i14 s LEU 170 Ca 0.00 1.64 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1i14 s LEU 170 Cb 0.00 -3.41 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1i14 s LEU 170 CO 0.00 -0.00 -0.00 1.51 0.23 0.00 0.00 176.35 178.09 1i14 s ASP 171 N -0.16 3.33 -0.18 2.29 -4.77 -1.26 -0.87 116.67 115.05 1i14 s ASP 171 Ca 0.42 -1.32 -0.03 0.00 -3.30 0.00 0.00 52.55 48.32 1i14 s ASP 171 Cb -0.22 -0.28 0.06 0.00 -1.09 0.00 0.00 42.92 41.38 1i14 s ASP 171 CO 0.27 -0.43 0.04 -0.47 0.70 0.00 0.00 175.17 175.27 1i14 s TYR 172 N -2.88 0.88 -1.34 2.11 5.04 -0.74 -4.80 117.35 115.61 1i14 s TYR 172 Ca 0.34 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 54.25 1i14 s TYR 172 Cb 0.08 -0.96 0.01 0.00 0.35 0.00 0.00 41.96 41.44 1i14 s TYR 172 CO 0.16 -0.56 0.75 -3.47 -1.34 0.00 0.00 175.55 171.10 1i14 n ASP 173 N 5.09 -1.81 -2.77 4.32 2.03 -1.26 -1.58 116.55 120.58 1i14 n ASP 173 Ca -0.08 -0.81 -0.18 0.00 0.52 0.00 0.00 54.79 54.24 1i14 n ASP 173 Cb 0.48 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.81 1i14 n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i14 n ASP 174 N -3.02 -4.47 -4.26 1.67 10.43 -1.26 -4.97 116.55 110.67 1i14 n ASP 174 Ca -0.24 -0.06 -0.22 0.00 2.57 0.00 0.00 54.79 56.84 1i14 n ASP 174 Cb 0.65 -3.73 -0.12 0.00 1.84 0.00 0.00 41.12 39.76 1i14 n ASP 174 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1i14 s THR 175 N -2.84 1.55 0.00 -3.53 2.01 -0.61 -4.80 115.64 107.41 1i14 s THR 175 Ca 0.15 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.64 1i14 s THR 175 Cb -0.08 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1i14 s THR 175 CO 0.19 -0.13 0.00 -1.22 -0.69 0.00 0.00 174.62 172.76 1i14 n TYR 176 N 1.06 0.00 0.32 4.92 4.02 -1.26 -1.80 117.16 124.43 1i14 n TYR 176 Ca -0.19 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 57.90 1i14 n TYR 176 Cb 0.54 -0.05 1.07 0.00 -0.02 0.00 0.00 39.34 40.88 1i14 n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i14 h ARG 177 N 2.78 0.00 0.00 -0.72 3.08 -1.85 -2.80 114.38 114.88 1i14 h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i14 h ARG 177 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1i14 h ARG 177 CO 0.00 0.01 -0.18 -0.85 -1.07 0.00 0.00 179.97 177.88 1i14 n GLU 178 N -3.24 0.02 -1.71 0.04 0.00 -1.26 -0.08 120.64 114.41 1i14 n GLU 178 Ca -0.02 0.01 -0.39 0.00 0.00 0.00 0.00 57.16 56.75 1i14 n GLU 178 Cb 0.12 -1.52 0.03 0.00 0.00 0.00 0.00 31.44 30.08 1i14 n GLU 178 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1i14 n LEU 179 N -1.55 4.74 0.12 -1.84 4.77 -1.08 -4.77 117.00 117.40 1i14 n LEU 179 Ca 0.06 0.99 0.01 0.00 -0.03 0.00 0.00 56.01 57.04 1i14 n LEU 179 Cb 0.34 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1i14 n LEU 179 CO 0.30 -0.83 0.39 0.03 -1.33 0.00 0.00 177.39 175.95 1i14 h ARG 180 N 1.47 0.00 -6.16 3.23 3.08 -1.93 -0.34 114.38 113.73 1i14 h ARG 180 Ca -0.49 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.05 1i14 h ARG 180 Cb 1.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 1i14 h ARG 180 CO 0.57 0.59 -0.45 -0.51 -1.07 0.00 0.00 179.97 179.10 1i14 s ASP 181 N -6.49 5.08 -0.22 7.04 1.01 -1.26 -3.85 116.67 117.98 1i14 s ASP 181 Ca 0.03 -0.63 -0.07 0.00 0.71 0.00 0.00 52.55 52.59 1i14 s ASP 181 Cb 0.08 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 1i14 s ASP 181 CO 0.76 -0.43 0.06 -0.63 0.21 0.00 0.00 175.17 175.14 1i14 s ILE 182 N -2.38 4.46 0.20 0.77 1.01 -0.23 -3.65 121.20 121.38 1i14 s ILE 182 Ca 0.42 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1i14 s ILE 182 Cb -0.04 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1i14 s ILE 182 CO 0.26 0.39 -0.04 0.68 0.00 0.00 0.00 174.94 176.23 1i14 s VAL 183 N 1.13 1.08 -0.23 2.92 -7.23 -0.37 -0.24 120.40 117.46 1i14 s VAL 183 Ca 0.04 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 1i14 s VAL 183 Cb -0.14 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1i14 s VAL 183 CO 0.03 -0.48 0.52 -0.69 -0.31 0.00 0.00 175.10 174.17 1i14 s VAL 184 N -3.39 5.09 0.05 1.32 1.01 0.76 -0.82 120.40 124.42 1i14 s VAL 184 Ca 0.24 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1i14 s VAL 184 Cb 0.04 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1i14 s VAL 184 CO 0.06 0.13 1.10 -0.22 0.00 0.00 0.00 175.10 176.17 1i14 s LEU 185 N 1.95 4.38 0.20 3.92 2.96 -0.52 -0.18 118.68 131.39 1i14 s LEU 185 Ca 0.23 1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 55.71 1i14 s LEU 185 Cb -0.15 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 1i14 s LEU 185 CO 0.09 -0.36 1.53 -0.13 -1.32 0.00 0.00 176.35 176.16 1i14 s ARG 186 N 0.91 4.23 0.47 1.98 0.52 -0.64 -4.77 118.95 121.65 1i14 s ARG 186 Ca 0.55 2.35 0.15 0.00 -0.52 0.00 0.00 55.73 58.27 1i14 s ARG 186 Cb -0.26 -3.13 1.14 0.00 0.52 0.00 0.00 34.95 33.21 1i14 s ARG 186 CO 0.29 -0.55 2.05 -1.35 0.02 0.00 0.00 175.30 175.76 1i14 h PRO 187 N 6.12 0.23 -0.37 3.54 0.11 -1.94 -0.69 132.00 139.00 1i14 h PRO 187 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1i14 h PRO 187 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1i14 h PRO 187 CO 0.86 0.16 0.18 0.93 -0.21 0.00 0.00 178.00 179.91 1i14 h GLU 188 N 0.24 0.51 0.03 1.05 3.07 -1.97 0.84 114.58 118.35 1i14 h GLU 188 Ca 0.17 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1i14 h GLU 188 Cb 0.36 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1i14 h GLU 188 CO -0.03 0.40 -0.01 0.28 -1.40 0.00 0.00 179.01 178.25 1i14 h VAL 189 N 0.52 1.34 -0.03 3.13 2.07 -1.48 -2.61 116.25 119.19 1i14 h VAL 189 Ca 0.13 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1i14 h VAL 189 Cb 0.06 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1i14 h VAL 189 CO -0.02 0.31 -0.54 0.10 0.02 0.00 0.00 177.57 177.44 1i14 h TYR 190 N -0.58 0.12 -0.45 1.57 -0.00 -1.39 -2.71 116.97 113.53 1i14 h TYR 190 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 58.73 58.64 1i14 h TYR 190 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1i14 h TYR 190 CO 0.11 0.61 0.09 0.00 -0.00 0.00 0.00 178.16 178.97 1i14 h ALA 191 N 1.38 0.60 -0.65 0.10 0.00 -0.88 0.46 119.26 120.26 1i14 h ALA 191 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1i14 h ALA 191 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1i14 h ALA 191 CO 0.08 0.30 0.26 1.49 0.00 0.00 0.00 179.25 181.38 1i14 h GLU 192 N 0.60 0.96 -0.53 0.00 4.81 -1.42 -0.10 114.58 118.90 1i14 h GLU 192 Ca 0.14 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1i14 h GLU 192 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1i14 h GLU 192 CO 0.01 0.81 -0.02 0.00 -0.73 0.00 0.00 179.01 179.08 1i14 h ARG 193 N 0.91 0.95 -0.77 1.92 3.08 -1.12 0.25 114.38 119.60 1i14 h ARG 193 Ca 0.22 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1i14 h ARG 193 Cb 0.20 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1i14 h ARG 193 CO -0.02 0.97 0.51 0.93 -1.07 0.00 0.00 179.97 181.29 1i14 h GLU 194 N 0.83 1.00 -0.13 0.04 4.39 0.26 1.00 114.58 121.96 1i14 h GLU 194 Ca 0.15 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1i14 h GLU 194 Cb 0.55 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1i14 h GLU 194 CO 0.03 0.66 -0.03 0.00 -1.16 0.00 0.00 179.01 178.51 1i14 h ALA 195 N 1.29 0.18 -0.76 3.43 0.00 -0.75 0.10 119.26 122.76 1i14 h ALA 195 Ca 0.29 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1i14 h ALA 195 Cb -0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1i14 h ALA 195 CO -0.07 -0.08 0.50 0.00 0.00 0.00 0.00 179.25 179.59 1i14 h ALA 196 N 0.70 1.64 0.34 0.00 0.00 -0.55 -3.13 119.26 118.27 1i14 h ALA 196 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i14 h ALA 196 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i14 h ALA 196 CO 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 179.25 179.34 1i14 h ARG 197 N 0.83 -0.44 -0.03 0.00 3.08 -0.54 -3.51 114.38 113.77 1i14 h ARG 197 Ca 0.32 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1i14 h ARG 197 Cb 0.21 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1i14 h ARG 197 CO -0.11 -0.30 0.00 0.41 -1.07 0.00 0.00 179.97 178.91