#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 0.00 -0.00 -0.72 9.09 -2.05 -0.67 114.58 120.23 1i14 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i14 h GLU 6 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i14 h GLU 6 CO 0.00 0.00 -0.02 1.97 0.05 0.00 0.00 179.01 181.01 1i14 n PHE 7 N -3.82 0.00 -4.48 2.06 1.16 -1.26 -4.83 117.46 106.28 1i14 n PHE 7 Ca 0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.26 1i14 n PHE 7 Cb 0.35 -0.12 -0.10 0.00 -1.61 0.00 0.00 39.48 38.00 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 -2.26 3.15 -0.62 1.98 0.00 -0.26 -0.92 121.76 122.84 1i14 s ALA 8 Ca 0.38 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.72 1i14 s ALA 8 Cb 0.21 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1i14 s ALA 8 CO 0.41 0.58 0.95 -0.85 0.00 0.00 0.00 175.76 176.85 1i14 n GLU 9 N 2.18 0.28 -3.58 0.00 0.28 -0.46 -4.74 120.64 114.60 1i14 n GLU 9 Ca -0.18 -0.03 -0.11 0.00 -0.16 0.00 0.00 57.16 56.69 1i14 n GLU 9 Cb 0.53 -1.57 -0.05 0.00 1.43 0.00 0.00 31.44 31.78 1i14 n GLU 9 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i14 s LYS 10 N -3.20 0.60 -0.18 3.44 2.20 -1.25 -5.01 119.74 116.34 1i14 s LYS 10 Ca 0.03 0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.65 1i14 s LYS 10 Cb 0.15 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1i14 s LYS 10 CO 0.82 -0.18 0.42 0.42 -0.36 0.00 0.00 175.35 176.47 1i14 s ILE 11 N -1.04 5.19 -0.16 5.43 -1.09 -1.26 -0.54 121.20 127.72 1i14 s ILE 11 Ca -0.02 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.04 1i14 s ILE 11 Cb -0.01 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 37.05 1i14 s ILE 11 CO 0.01 0.27 -0.13 0.18 -1.23 0.00 0.00 174.94 174.04 1i14 n LEU 12 N 4.29 1.84 -3.87 2.97 4.77 -0.04 -4.95 117.00 121.99 1i14 n LEU 12 Ca -0.08 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1i14 n LEU 12 Cb 0.51 -0.87 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1i14 n LEU 12 CO 0.41 -0.26 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.48 1i14 s PHE 13 N -2.35 0.08 0.54 -1.77 0.40 -0.84 -5.01 117.98 109.02 1i14 s PHE 13 Ca -0.20 -0.00 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1i14 s PHE 13 Cb 0.04 -0.07 0.00 0.00 0.51 0.00 0.00 43.02 43.50 1i14 s PHE 13 CO 0.33 -0.01 0.82 0.95 0.70 0.00 0.00 175.22 178.01 1i14 s THR 14 N 0.09 3.86 0.35 0.64 -4.23 -1.26 -1.05 115.64 114.03 1i14 s THR 14 Ca -0.01 -0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1i14 s THR 14 Cb -0.02 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.65 1i14 s THR 14 CO -0.00 -0.46 1.85 -0.08 -0.54 0.00 0.00 174.62 175.39 1i14 h GLU 15 N 0.03 0.67 -0.34 3.99 4.81 -1.95 -1.44 114.58 120.35 1i14 h GLU 15 Ca -0.46 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1i14 h GLU 15 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1i14 h GLU 15 CO 0.60 0.44 0.02 0.93 -0.73 0.00 0.00 179.01 180.27 1i14 h GLU 16 N 0.69 0.59 -0.64 1.92 3.07 -1.93 -0.64 114.58 117.64 1i14 h GLU 16 Ca 0.47 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1i14 h GLU 16 Cb 0.78 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 1i14 h GLU 16 CO -0.22 0.70 0.11 0.93 -1.40 0.00 0.00 179.01 179.12 1i14 h GLU 17 N 0.41 1.04 -0.07 2.33 5.08 -1.71 -2.44 114.58 119.23 1i14 h GLU 17 Ca 0.10 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1i14 h GLU 17 Cb 0.41 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1i14 h GLU 17 CO 0.01 0.95 0.01 0.82 -1.00 0.00 0.00 179.01 179.80 1i14 h ILE 18 N 0.98 1.20 -0.55 3.13 2.04 -1.17 -2.40 117.51 120.73 1i14 h ILE 18 Ca 0.20 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.54 1i14 h ILE 18 Cb 0.41 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1i14 h ILE 18 CO 0.01 0.17 0.14 -0.09 0.00 0.00 0.00 178.15 178.38 1i14 h ARG 19 N -0.12 0.27 -0.14 2.37 2.43 -0.98 -1.28 114.38 116.93 1i14 h ARG 19 Ca 0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1i14 h ARG 19 Cb 0.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1i14 h ARG 19 CO 0.00 0.18 0.05 1.15 -1.51 0.00 0.00 179.97 179.84 1i14 h THR 20 N 0.28 1.18 -0.54 0.20 2.02 -1.36 -2.58 112.91 112.11 1i14 h THR 20 Ca 0.28 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1i14 h THR 20 Cb 0.37 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1i14 h THR 20 CO -0.34 0.16 0.35 0.03 0.37 0.00 0.00 175.52 176.10 1i14 h ARG 21 N 0.06 0.72 -0.91 6.66 3.08 -1.12 -1.87 114.38 121.00 1i14 h ARG 21 Ca 0.05 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1i14 h ARG 21 Cb 0.21 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1i14 h ARG 21 CO -0.00 0.48 0.58 0.82 -1.07 0.00 0.00 179.97 180.78 1i14 h ILE 22 N 0.73 1.11 -0.87 2.04 2.04 -1.20 -0.08 117.51 121.29 1i14 h ILE 22 Ca 0.20 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1i14 h ILE 22 Cb -0.07 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 35.88 1i14 h ILE 22 CO -0.04 0.20 0.53 0.50 0.00 0.00 0.00 178.15 179.34 1i14 h LYS 23 N 1.10 1.18 -0.16 2.37 3.11 -0.99 0.28 116.57 123.45 1i14 h LYS 23 Ca 0.37 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 58.07 1i14 h LYS 23 Cb 0.07 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.04 1i14 h LYS 23 CO -0.14 0.82 -0.06 0.93 -2.81 0.00 0.00 179.45 178.19 1i14 h GLU 24 N 1.20 0.33 -0.65 1.90 5.08 -0.48 -1.40 114.58 120.56 1i14 h GLU 24 Ca 0.31 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1i14 h GLU 24 Cb -0.06 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1i14 h GLU 24 CO -0.06 0.62 0.39 0.28 -1.00 0.00 0.00 179.01 179.24 1i14 h VAL 25 N 0.01 1.19 -0.71 3.13 2.07 -0.64 -0.73 116.25 120.57 1i14 h VAL 25 Ca 0.04 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1i14 h VAL 25 Cb 0.52 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1i14 h VAL 25 CO 0.02 0.20 0.25 0.00 0.02 0.00 0.00 177.57 178.06 1i14 h ALA 26 N 1.20 1.10 -0.64 1.67 0.00 -0.38 0.23 119.26 122.44 1i14 h ALA 26 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1i14 h ALA 26 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1i14 h ALA 26 CO -0.04 0.63 0.07 1.57 0.00 0.00 0.00 179.25 181.48 1i14 h LYS 27 N 1.04 1.07 0.29 0.00 2.10 -0.85 0.13 116.57 120.35 1i14 h LYS 27 Ca 0.24 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1i14 h LYS 27 Cb 0.25 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1i14 h LYS 27 CO -0.01 1.01 -0.14 0.07 -2.00 0.00 0.00 179.45 178.38 1i14 h ARG 28 N 0.98 -0.37 -0.54 0.07 -0.00 -0.49 -0.91 114.38 113.13 1i14 h ARG 28 Ca 0.19 0.03 0.06 0.00 -0.00 0.00 0.00 59.98 60.25 1i14 h ARG 28 Cb 0.48 0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.48 1i14 h ARG 28 CO 0.02 -0.16 0.25 0.82 -0.00 0.00 0.00 179.97 180.90 1i14 h ILE 29 N -0.51 0.90 -0.22 0.08 2.04 -0.47 -0.61 117.51 118.72 1i14 h ILE 29 Ca -0.04 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1i14 h ILE 29 Cb 0.38 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1i14 h ILE 29 CO 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 1i14 h ALA 30 N 1.32 0.19 -0.46 1.87 0.00 -0.79 -2.00 119.26 119.39 1i14 h ALA 30 Ca 0.25 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1i14 h ALA 30 Cb 0.20 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1i14 h ALA 30 CO -0.20 -0.43 0.28 -0.44 0.00 0.00 0.00 179.25 178.45 1i14 h ASP 31 N 0.06 0.55 -0.36 0.00 3.45 -0.68 -2.05 116.42 117.38 1i14 h ASP 31 Ca 0.11 -0.05 0.09 0.00 0.43 0.00 0.00 57.03 57.60 1i14 h ASP 31 Cb 0.14 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1i14 h ASP 31 CO -0.19 0.44 0.25 0.44 -1.57 0.00 0.00 179.24 178.61 1i14 h ASP 32 N 0.61 0.08 -0.28 6.45 5.19 -0.44 -1.18 116.42 126.85 1i14 h ASP 32 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1i14 h ASP 32 Cb -0.01 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1i14 h ASP 32 CO -0.03 0.05 0.00 -1.22 -3.12 0.00 0.00 179.24 174.92 1i14 n TYR 33 N -4.45 0.35 0.31 4.55 4.02 -0.82 -4.61 117.16 116.50 1i14 n TYR 33 Ca 0.05 -0.20 0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1i14 n TYR 33 Cb 0.37 -0.00 0.67 0.00 -0.02 0.00 0.00 39.34 40.36 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 4.03 0.00 -0.11 -0.72 1.57 -0.48 0.30 116.57 121.15 1i14 h LYS 34 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1i14 h LYS 34 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1i14 h LYS 34 CO 0.00 0.00 -0.04 0.41 -0.57 0.00 0.00 179.45 179.25 1i14 n GLY 35 N -1.30 4.63 0.93 3.86 0.00 -1.26 -4.62 105.19 107.43 1i14 n GLY 35 Ca -0.00 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1i14 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i14 n LYS 36 N -1.09 2.28 -2.94 1.61 4.76 0.09 -4.99 118.16 117.89 1i14 n LYS 36 Ca 0.19 -1.87 -0.18 0.00 -2.87 0.00 0.00 58.31 53.59 1i14 n LYS 36 Cb 0.76 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 32.52 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 1.34 -0.25 3.72 0.72 0.00 -1.26 -4.95 105.19 104.51 1i14 n GLY 37 Ca 0.15 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.43 4.37 -0.02 0.99 1.43 -1.26 -4.84 118.68 113.93 1i14 s LEU 38 Ca 0.28 2.78 -0.04 0.00 -1.03 0.00 0.00 54.13 56.12 1i14 s LEU 38 Cb -0.12 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1i14 s LEU 38 CO 0.34 -0.94 0.09 -0.13 0.23 0.00 0.00 176.35 175.95 1i14 s ARG 39 N 1.40 0.20 0.78 1.70 1.81 0.27 -4.85 118.95 120.26 1i14 s ARG 39 Ca 0.74 -0.03 -0.12 0.00 -1.72 0.00 0.00 55.73 54.59 1i14 s ARG 39 Cb -0.47 0.09 0.07 0.00 -0.45 0.00 0.00 34.95 34.18 1i14 s ARG 39 CO 0.32 -0.03 1.14 -1.25 -0.68 0.00 0.00 175.30 174.80 1i14 s PRO 40 N -0.36 1.94 0.00 3.54 0.04 -1.26 -0.63 135.00 138.28 1i14 s PRO 40 Ca -0.04 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1i14 s PRO 40 Cb -0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1i14 s PRO 40 CO 0.00 -1.93 0.00 0.66 0.04 0.00 0.00 177.00 175.77 1i14 n TYR 41 N -3.32 0.00 -0.02 0.56 4.02 -1.26 -4.19 117.16 112.95 1i14 n TYR 41 Ca 0.11 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.82 1i14 n TYR 41 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1i14 n TYR 41 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i14 n VAL 42 N 0.00 1.70 -3.03 -0.72 0.24 -1.25 -4.76 118.33 110.51 1i14 n VAL 42 Ca 0.00 -0.68 -0.15 0.00 -2.04 0.00 0.00 64.34 61.47 1i14 n VAL 42 Cb 0.00 -1.52 -0.01 0.00 -1.47 0.00 0.00 33.84 30.84 1i14 n VAL 42 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1i14 n ASN 43 N -3.35 0.78 -4.88 -1.34 5.15 0.20 -4.98 115.26 106.85 1i14 n ASN 43 Ca -0.31 -2.96 -0.30 0.00 -0.60 0.00 0.00 54.58 50.41 1i14 n ASN 43 Cb 1.05 -0.45 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 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 -2.42 3.66 -0.23 1.20 0.04 -0.54 -0.57 135.00 136.14 1i14 s PRO 44 Ca 0.36 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1i14 s PRO 44 Cb 0.37 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1i14 s PRO 44 CO -0.05 -0.27 1.19 -1.17 0.04 0.00 0.00 177.00 176.73 1i14 s LEU 45 N -4.56 4.06 -0.25 -3.56 2.96 0.00 -4.44 118.68 112.89 1i14 s LEU 45 Ca 0.52 1.42 -0.24 0.00 -0.22 0.00 0.00 54.13 55.61 1i14 s LEU 45 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1i14 s LEU 45 CO 0.42 -0.82 0.81 -0.69 -1.32 0.00 0.00 176.35 174.75 1i14 s VAL 46 N 3.62 4.84 -0.30 1.68 1.01 -0.01 -0.88 120.40 130.37 1i14 s VAL 46 Ca 0.51 1.49 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 1i14 s VAL 46 Cb -0.18 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1i14 s VAL 46 CO 0.14 -0.09 0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1i14 s LEU 47 N 2.83 4.13 -0.56 3.92 1.43 -0.11 -0.17 118.68 130.15 1i14 s LEU 47 Ca 0.34 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1i14 s LEU 47 Cb -0.15 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.11 1i14 s LEU 47 CO 0.08 -0.12 0.50 -0.63 0.23 0.00 0.00 176.35 176.41 1i14 s ILE 48 N 1.72 5.02 -0.26 -0.59 1.01 -0.11 -0.89 121.20 127.10 1i14 s ILE 48 Ca 0.06 -1.71 -0.28 0.00 0.00 0.00 0.00 60.65 58.72 1i14 s ILE 48 Cb -0.16 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1i14 s ILE 48 CO 0.10 -0.87 1.03 -0.55 0.00 0.00 0.00 174.94 174.64 1i14 s SER 49 N 3.17 7.01 -0.41 3.58 0.15 0.00 -0.22 113.70 126.99 1i14 s SER 49 Ca 0.06 1.23 -0.22 0.00 0.70 0.00 0.00 55.95 57.71 1i14 s SER 49 Cb -0.27 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 1i14 s SER 49 CO 0.01 -0.72 0.74 -0.69 1.20 0.00 0.00 173.24 173.78 1i14 s VAL 50 N 3.30 4.73 0.69 4.45 1.01 -0.72 -1.15 120.40 132.72 1i14 s VAL 50 Ca 0.43 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 1i14 s VAL 50 Cb -0.14 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1i14 s VAL 50 CO 0.09 -0.57 1.13 -0.76 0.00 0.00 0.00 175.10 174.99 1i14 s LEU 51 N 3.09 3.32 -0.18 3.92 1.43 -0.52 -3.36 118.68 126.37 1i14 s LEU 51 Ca 0.28 2.06 0.15 0.00 -1.03 0.00 0.00 54.13 55.59 1i14 s LEU 51 Cb -0.13 -4.56 -0.24 0.00 0.03 0.00 0.00 46.19 41.29 1i14 s LEU 51 CO 0.20 -1.85 0.14 0.29 0.23 0.00 0.00 176.35 175.35 1i14 n LYS 52 N -2.66 0.68 -0.35 1.70 5.02 -1.26 -4.72 118.16 116.58 1i14 n LYS 52 Ca 0.11 0.05 0.16 0.00 -2.02 0.00 0.00 58.31 56.61 1i14 n LYS 52 Cb 0.52 -1.56 0.36 0.00 -0.02 0.00 0.00 35.03 34.32 1i14 n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1i14 h GLY 53 N 3.70 1.87 1.08 0.72 0.00 -1.73 -1.72 103.07 106.99 1i14 h GLY 53 Ca -0.51 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1i14 h GLY 53 CO 0.03 -0.17 0.00 -1.14 0.00 0.00 0.00 176.54 175.25 1i14 n SER 54 N -4.84 0.00 -0.34 0.19 3.41 -1.22 -3.91 113.62 106.92 1i14 n SER 54 Ca 0.26 -0.67 0.06 0.00 -0.26 0.00 0.00 58.87 58.26 1i14 n SER 54 Cb 0.68 -0.04 0.25 0.00 -0.26 0.00 0.00 64.21 64.83 1i14 n SER 54 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1i14 h PHE 55 N 0.00 1.09 -0.00 7.33 -5.15 -1.57 0.13 116.94 118.78 1i14 h PHE 55 Ca 0.00 0.03 -0.08 0.00 -0.20 0.00 0.00 57.97 57.72 1i14 h PHE 55 Cb 0.03 -0.35 0.01 0.00 0.22 0.00 0.00 35.95 35.86 1i14 h PHE 55 CO 0.00 0.48 -0.33 1.98 -2.00 0.00 0.00 178.31 178.45 1i14 h MET 56 N 1.00 0.22 -0.71 6.09 4.05 -1.83 -2.57 114.93 121.18 1i14 h MET 56 Ca 0.46 -0.24 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1i14 h MET 56 Cb 0.40 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.21 1i14 h MET 56 CO -0.22 0.96 0.41 0.35 0.23 0.00 0.00 176.91 178.64 1i14 h PHE 57 N -0.42 0.75 -0.59 1.39 3.57 -1.73 -2.35 116.94 117.57 1i14 h PHE 57 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1i14 h PHE 57 Cb 1.08 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1i14 h PHE 57 CO 0.17 0.37 0.34 1.15 -2.23 0.00 0.00 178.31 178.12 1i14 h THR 58 N 0.75 1.18 -0.70 4.41 2.02 -0.77 0.39 112.91 120.19 1i14 h THR 58 Ca 0.31 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1i14 h THR 58 Cb 0.17 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 1i14 h THR 58 CO -0.17 0.19 0.45 0.00 0.37 0.00 0.00 175.52 176.35 1i14 h ALA 59 N 1.17 0.91 0.08 6.16 0.00 -1.01 -1.38 119.26 125.19 1i14 h ALA 59 Ca 0.21 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 1i14 h ALA 59 Cb 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1i14 h ALA 59 CO -0.04 0.24 -1.15 -0.44 0.00 0.00 0.00 179.25 177.86 1i14 h ASP 60 N 0.88 0.75 -0.22 0.00 3.32 -1.23 -3.27 116.42 116.65 1i14 h ASP 60 Ca 0.28 -0.67 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1i14 h ASP 60 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1i14 h ASP 60 CO -0.09 1.48 0.09 0.25 -1.72 0.00 0.00 179.24 179.25 1i14 h LEU 61 N 0.26 0.31 -1.67 1.55 5.85 -0.82 -1.86 115.31 118.92 1i14 h LEU 61 Ca -0.15 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1i14 h LEU 61 Cb 1.82 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1i14 h LEU 61 CO 0.21 0.38 -0.05 0.00 -0.34 0.00 0.00 178.44 178.64 1i14 h ARG 63 N 0.14 0.49 -0.20 0.00 3.08 -1.53 -0.57 114.38 115.79 1i14 h ARG 63 Ca 0.03 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.59 1i14 h ARG 63 Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1i14 h ARG 63 CO 0.01 0.94 -0.54 0.00 -1.07 0.00 0.00 179.97 179.32 1i14 h ALA 64 N 0.98 0.68 -0.33 0.04 0.00 -0.40 -1.68 119.26 118.55 1i14 h ALA 64 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1i14 h ALA 64 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1i14 h ALA 64 CO 0.11 0.69 -0.22 -0.07 0.00 0.00 0.00 179.25 179.75 1i14 h LEU 65 N 0.46 0.63 -0.88 0.00 3.38 -0.69 -2.42 115.31 115.78 1i14 h LEU 65 Ca 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1i14 h LEU 65 Cb 1.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1i14 h LEU 65 CO 0.10 0.84 0.58 0.00 0.09 0.00 0.00 178.44 180.05 1i14 h ASP 67 N 1.20 0.25 -0.62 0.00 3.32 -0.80 0.17 116.42 119.94 1i14 h ASP 67 Ca 0.32 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1i14 h ASP 67 Cb -0.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1i14 h ASP 67 CO -0.07 0.13 0.00 0.49 -1.72 0.00 0.00 179.24 178.08 1i14 n PHE 68 N -4.44 1.85 -2.47 4.55 3.01 -0.41 -4.94 117.46 114.61 1i14 n PHE 68 Ca 0.12 -0.68 -0.20 0.00 1.01 0.00 0.00 57.45 57.70 1i14 n PHE 68 Cb 0.52 -0.40 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.88 -5.74 -4.58 4.37 3.02 0.58 -4.97 115.26 108.82 1i14 n ASN 69 Ca 0.27 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1i14 n ASN 69 Cb 1.07 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -3.01 4.86 -0.06 2.41 1.01 -0.57 -5.00 120.40 120.03 1i14 s VAL 70 Ca 0.03 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 1i14 s VAL 70 Cb -0.01 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1i14 s VAL 70 CO 0.04 -0.29 1.18 -2.16 0.00 0.00 0.00 175.10 173.87 1i14 s PRO 71 N 2.78 4.35 0.33 2.72 0.04 -1.26 -4.26 135.00 139.70 1i14 s PRO 71 Ca 0.26 1.64 0.09 0.00 0.04 0.00 0.00 61.00 63.04 1i14 s PRO 71 Cb -0.14 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 1i14 s PRO 71 CO 0.14 -0.44 -0.04 0.14 0.04 0.00 0.00 177.00 176.84 1i14 s VAL 72 N 2.24 2.52 -0.11 -0.36 -7.23 -1.26 -0.82 120.40 115.38 1i14 s VAL 72 Ca 0.55 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1i14 s VAL 72 Cb -0.24 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.01 1i14 s VAL 72 CO 0.21 -0.22 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.09 1i14 s ARG 73 N -3.67 1.62 -0.11 4.82 3.52 -0.06 -4.80 118.95 120.28 1i14 s ARG 73 Ca 0.34 -0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 55.45 1i14 s ARG 73 Cb 0.00 -1.61 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 1i14 s ARG 73 CO 0.18 -0.23 0.48 -1.64 -0.81 0.00 0.00 175.30 173.28 1i14 s MET 74 N 1.56 4.32 0.04 5.12 -1.94 -1.26 -0.93 119.30 126.20 1i14 s MET 74 Ca 0.03 0.46 0.05 0.00 -1.71 0.00 0.00 55.69 54.51 1i14 s MET 74 Cb -0.13 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 1i14 s MET 74 CO -0.07 0.19 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.78 1i14 s GLU 75 N 0.51 0.94 -0.04 2.03 0.41 -0.07 -4.97 118.70 117.52 1i14 s GLU 75 Ca 0.26 -0.74 0.03 0.00 -0.41 0.00 0.00 54.97 54.11 1i14 s GLU 75 Cb -0.15 -0.95 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 1i14 s GLU 75 CO 0.11 0.23 -0.14 -0.06 -0.49 0.00 0.00 175.26 174.91 1i14 s PHE 76 N -0.83 1.46 0.07 1.61 0.40 -1.26 -0.82 117.98 118.61 1i14 s PHE 76 Ca 0.02 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1i14 s PHE 76 Cb -0.08 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1i14 s PHE 76 CO 0.01 -0.18 -0.20 0.96 0.70 0.00 0.00 175.22 176.52 1i14 s ILE 77 N 0.23 1.61 -0.13 0.64 -4.36 -0.30 -4.57 121.20 114.33 1i14 s ILE 77 Ca -0.06 -1.34 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1i14 s ILE 77 Cb -0.12 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.17 1i14 s ILE 77 CO 0.02 0.05 -0.18 0.00 0.24 0.00 0.00 174.94 175.07 1i14 s VAL 79 N 0.97 2.53 0.01 0.00 -7.23 -1.26 0.21 120.40 115.63 1i14 s VAL 79 Ca -0.06 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 57.90 1i14 s VAL 79 Cb -0.15 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1i14 s VAL 79 CO -0.03 -0.25 0.15 -0.94 -0.31 0.00 0.00 175.10 173.72 1i14 s SER 80 N -3.63 0.04 0.36 4.85 1.04 0.33 -4.87 113.70 111.82 1i14 s SER 80 Ca 0.33 -0.28 -0.25 0.00 0.48 0.00 0.00 55.95 56.23 1i14 s SER 80 Cb -0.01 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 1i14 s SER 80 CO 0.18 -0.43 1.03 -0.55 0.98 0.00 0.00 173.24 174.44 1i14 s SER 81 N -1.64 6.97 0.25 7.02 0.15 -1.26 -0.45 113.70 124.75 1i14 s SER 81 Ca -0.11 2.02 0.09 0.00 0.70 0.00 0.00 55.95 58.65 1i14 s SER 81 Cb -0.05 -2.59 0.29 0.00 -1.71 0.00 0.00 66.02 61.96 1i14 s SER 81 CO -0.00 -0.34 1.58 1.88 1.20 0.00 0.00 173.24 177.55 1i14 h TYR 82 N 2.85 0.05 0.00 3.44 -1.99 -1.95 -3.45 116.97 115.92 1i14 h TYR 82 Ca -0.48 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1i14 h TYR 82 Cb 1.21 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1i14 h TYR 82 CO 0.59 0.68 0.00 0.41 -0.00 0.00 0.00 178.16 179.84 1i14 n GLY 83 N 0.34 -2.78 3.65 3.88 0.00 -1.26 -5.04 105.19 103.98 1i14 n GLY 83 Ca -0.01 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1i14 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i14 s GLU 84 N -1.99 4.20 -1.00 1.61 8.01 -1.26 -3.92 118.70 124.35 1i14 s GLU 84 Ca 0.00 0.99 0.00 0.00 0.01 0.00 0.00 54.97 55.97 1i14 s GLU 84 Cb 0.00 -3.64 0.00 0.00 -4.31 0.00 0.00 34.13 26.18 1i14 s GLU 84 CO 0.00 -0.51 0.00 0.41 0.01 0.00 0.00 175.26 175.17 1i14 n GLY 85 N 3.68 0.12 0.02 -1.39 0.00 -1.26 -4.93 105.19 101.43 1i14 n GLY 85 Ca 0.06 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.57 0.64 -3.94 0.99 4.77 -1.25 -4.93 117.00 111.71 1i14 n LEU 86 Ca -0.13 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 1i14 n LEU 86 Cb 0.57 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1i14 n LEU 86 CO 0.16 0.08 -0.30 0.28 -1.33 0.00 0.00 177.39 176.28 1i14 s THR 87 N -3.14 0.10 -0.19 -5.08 -1.32 -1.26 -5.00 115.64 99.74 1i14 s THR 87 Ca 0.05 -0.80 -0.12 0.00 -1.21 0.00 0.00 61.69 59.62 1i14 s THR 87 Cb 0.15 -0.30 -0.08 0.00 -1.51 0.00 0.00 72.50 70.76 1i14 s THR 87 CO 0.79 -0.44 -0.29 -1.20 -2.21 0.00 0.00 174.62 171.28 1i14 n SER 88 N 1.64 1.63 0.00 8.08 7.64 -1.26 -4.59 113.62 126.76 1i14 n SER 88 Ca -0.23 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1i14 n SER 88 Cb 0.55 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1i14 n SER 88 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i14 n SER 89 N -4.08 0.00 -0.11 6.43 2.88 -1.26 -4.68 113.62 112.80 1i14 n SER 89 Ca -0.34 0.09 -0.01 0.00 -1.33 0.00 0.00 58.87 57.27 1i14 n SER 89 Cb 0.70 -0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1i14 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i14 n GLY 90 N -1.01 0.52 3.73 0.46 0.00 -1.26 -4.53 105.19 103.09 1i14 n GLY 90 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1i14 n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i14 n GLN 91 N -2.63 2.48 -4.13 1.61 6.02 -1.26 -4.26 117.38 115.22 1i14 n GLN 91 Ca -0.01 0.88 -0.12 0.00 -0.01 0.00 0.00 57.00 57.73 1i14 n GLN 91 Cb 0.09 -2.59 -0.11 0.00 1.02 0.00 0.00 30.24 28.65 1i14 n GLN 91 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1i14 s VAL 92 N -0.43 0.66 -0.01 5.09 -7.23 -1.26 -4.63 120.40 112.59 1i14 s VAL 92 Ca 0.61 -1.54 -0.25 0.00 -1.81 0.00 0.00 61.98 58.99 1i14 s VAL 92 Cb -0.53 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1i14 s VAL 92 CO 0.54 -0.63 0.75 -0.60 -0.31 0.00 0.00 175.10 174.85 1i14 s ARG 93 N -2.77 4.47 -0.51 4.82 3.52 0.41 -4.86 118.95 124.02 1i14 s ARG 93 Ca 0.02 1.00 -0.23 0.00 -0.13 0.00 0.00 55.73 56.39 1i14 s ARG 93 Cb -0.02 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1i14 s ARG 93 CO -0.02 0.16 0.84 -1.64 -0.81 0.00 0.00 175.30 173.82 1i14 s MET 94 N 0.42 3.31 -0.02 5.12 -1.94 -1.26 -0.51 119.30 124.42 1i14 s MET 94 Ca 0.39 -0.35 0.10 0.00 -1.71 0.00 0.00 55.69 54.12 1i14 s MET 94 Cb -0.19 -4.03 -0.23 0.00 2.01 0.00 0.00 34.83 32.39 1i14 s MET 94 CO 0.21 -1.33 0.76 -0.07 -0.01 0.00 0.00 175.02 174.57 1i14 h LEU 95 N 10.49 0.04 -7.26 -0.03 3.38 -0.57 -3.46 115.31 117.90 1i14 h LEU 95 Ca -0.26 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.43 1i14 h LEU 95 Cb 1.08 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.50 1i14 h LEU 95 CO 1.03 1.06 -0.52 -0.22 0.09 0.00 0.00 178.44 179.88 1i14 s LEU 96 N -6.28 -0.02 0.55 1.67 2.96 -0.87 -4.89 118.68 111.80 1i14 s LEU 96 Ca -0.05 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1i14 s LEU 96 Cb 0.08 0.70 0.03 0.00 0.50 0.00 0.00 46.19 47.50 1i14 s LEU 96 CO 0.82 -0.21 0.28 -0.62 -1.32 0.00 0.00 176.35 175.30 1i14 s ASP 97 N 1.97 4.46 0.57 3.68 -1.08 -1.26 -1.17 116.67 123.84 1i14 s ASP 97 Ca -0.03 -1.43 -0.21 0.00 -0.52 0.00 0.00 52.55 50.36 1i14 s ASP 97 Cb -0.11 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 1i14 s ASP 97 CO -0.08 -1.09 1.28 0.35 0.52 0.00 0.00 175.17 176.15 1i14 n THR 98 N -1.64 3.96 0.08 1.71 -2.24 -1.26 -4.82 114.28 110.07 1i14 n THR 98 Ca -0.09 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 1i14 n THR 98 Cb 0.65 -1.55 -0.09 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.16 0.43 -6.09 -0.78 -0.00 -1.93 -3.46 114.38 103.71 1i14 h ARG 99 Ca -0.50 -0.54 -0.54 0.00 -0.00 0.00 0.00 59.98 58.39 1i14 h ARG 99 Cb 1.32 0.17 -0.07 0.00 -0.00 0.00 0.00 29.97 31.39 1i14 h ARG 99 CO 0.56 1.20 -0.53 -1.01 -0.00 0.00 0.00 179.97 180.19 1i14 s HIS 100 N -3.06 2.71 0.35 4.08 3.76 -1.26 -5.11 115.29 116.76 1i14 s HIS 100 Ca -0.06 -0.39 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 1i14 s HIS 100 Cb 0.08 -1.67 -0.10 0.00 1.11 0.00 0.00 32.58 31.99 1i14 s HIS 100 CO 0.89 0.31 0.92 -1.54 -0.85 0.00 0.00 174.74 174.47 1i14 s SER 101 N -3.86 7.15 0.00 1.40 1.04 -1.26 -4.95 113.70 113.21 1i14 s SER 101 Ca 0.38 1.72 0.23 0.00 0.48 0.00 0.00 55.95 58.77 1i14 s SER 101 Cb -0.02 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1i14 s SER 101 CO 0.23 -0.17 1.20 2.30 0.98 0.00 0.00 173.24 177.78 1i14 n ILE 102 N 0.11 0.00 -1.69 -1.02 -5.35 -1.26 -4.90 119.36 105.25 1i14 n ILE 102 Ca 0.03 -0.08 -0.53 0.00 -0.27 0.00 0.00 62.75 61.90 1i14 n ILE 102 Cb 0.52 0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 39.11 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 -1.00 1.63 -0.79 6.28 2.13 -1.25 -0.46 120.64 127.17 1i14 n GLU 103 Ca 0.07 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1i14 n GLU 103 Cb 0.37 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 4.41 0.75 3.73 8.31 0.00 -0.19 -4.87 105.19 117.33 1i14 n GLY 104 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.77 2.74 -0.27 1.61 3.76 0.39 -3.94 115.29 116.81 1i14 s HIS 105 Ca 0.00 -0.32 -0.20 0.00 -0.15 0.00 0.00 55.06 54.39 1i14 s HIS 105 Cb 0.00 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 1i14 s HIS 105 CO 0.00 0.41 0.59 -1.01 -0.85 0.00 0.00 174.74 173.88 1i14 s HIS 106 N -2.38 3.25 0.07 1.40 3.76 -1.26 0.12 115.29 120.25 1i14 s HIS 106 Ca 0.36 0.68 0.09 0.00 -0.15 0.00 0.00 55.06 56.03 1i14 s HIS 106 Cb -0.04 -2.85 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 1i14 s HIS 106 CO 0.22 -0.36 -0.22 0.08 -0.85 0.00 0.00 174.74 173.61 1i14 s VAL 107 N 2.47 2.52 -0.14 -0.90 1.01 -0.48 -0.83 120.40 124.05 1i14 s VAL 107 Ca 0.24 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1i14 s VAL 107 Cb -0.15 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1i14 s VAL 107 CO 0.10 0.26 0.07 -0.22 0.00 0.00 0.00 175.10 175.31 1i14 s LEU 108 N -1.61 0.47 0.05 3.92 2.96 0.77 -1.56 118.68 123.67 1i14 s LEU 108 Ca 0.14 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 1i14 s LEU 108 Cb -0.10 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.24 1i14 s LEU 108 CO 0.05 -0.31 0.93 -0.63 -1.32 0.00 0.00 176.35 175.07 1i14 s ILE 109 N 2.08 4.70 -0.21 6.68 1.01 -0.44 -0.93 121.20 134.09 1i14 s ILE 109 Ca 0.02 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.60 1i14 s ILE 109 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 1i14 s ILE 109 CO -0.07 0.26 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 1i14 s VAL 110 N 0.42 3.61 0.11 2.92 1.01 0.69 -0.86 120.40 128.29 1i14 s VAL 110 Ca 0.47 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1i14 s VAL 110 Cb -0.22 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1i14 s VAL 110 CO 0.27 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 174.07 1i14 s GLU 111 N 1.27 0.92 -0.04 2.72 0.41 -0.49 -1.75 118.70 121.74 1i14 s GLU 111 Ca 0.03 -1.18 -0.15 0.00 -0.41 0.00 0.00 54.97 53.27 1i14 s GLU 111 Cb -0.14 -0.72 -0.31 0.00 -1.78 0.00 0.00 34.13 31.17 1i14 s GLU 111 CO -0.01 0.13 0.75 0.38 -0.49 0.00 0.00 175.26 176.03 1i14 h ASP 112 N 3.60 0.60 -4.33 -0.19 2.03 -1.87 -1.86 116.42 114.39 1i14 h ASP 112 Ca -0.39 -0.92 -0.10 0.00 -0.73 0.00 0.00 57.03 54.89 1i14 h ASP 112 Cb 1.19 -0.20 -0.22 0.00 -0.83 0.00 0.00 39.33 39.28 1i14 h ASP 112 CO 0.51 1.68 -0.15 -0.51 -1.03 0.00 0.00 179.24 179.73 1i14 s ILE 113 N -2.54 0.02 -0.06 4.15 2.07 -1.26 -1.31 121.20 122.27 1i14 s ILE 113 Ca -0.15 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1i14 s ILE 113 Cb 0.04 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 41.96 1i14 s ILE 113 CO 0.85 -0.07 -0.12 0.54 -1.91 0.00 0.00 174.94 174.23 1i14 s VAL 114 N -0.36 1.11 0.00 4.00 0.11 -0.97 -4.99 120.40 119.31 1i14 s VAL 114 Ca -0.05 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1i14 s VAL 114 Cb -0.03 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1i14 s VAL 114 CO 0.03 0.35 0.00 1.21 -3.33 0.00 0.00 175.10 173.35 1i14 n GLU 115 N 3.69 0.00 0.15 1.54 2.13 -1.26 -0.96 120.64 125.93 1i14 n GLU 115 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1i14 n GLU 115 Cb 0.52 0.00 0.23 0.00 0.27 0.00 0.00 31.44 32.46 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 1.37 -0.03 6.31 1.35 -1.86 -2.57 112.91 117.49 1i14 h THR 116 Ca 0.00 -1.88 -0.01 0.00 -0.55 0.00 0.00 66.41 63.97 1i14 h THR 116 Cb 0.00 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1i14 h THR 116 CO 0.00 0.53 -0.01 0.00 -0.25 0.00 0.00 175.52 175.79 1i14 n ALA 117 N -2.43 -0.01 -0.07 6.62 0.00 -1.26 -1.61 120.51 121.76 1i14 n ALA 117 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1i14 n ALA 117 Cb 0.56 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 0.26 -0.10 0.00 3.38 -1.90 0.24 115.31 117.18 1i14 h LEU 118 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1i14 h LEU 118 Cb 0.70 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1i14 h LEU 118 CO 0.02 0.19 -0.67 0.74 0.09 0.00 0.00 178.44 178.81 1i14 h THR 119 N 0.33 1.33 -0.59 0.22 2.02 -1.89 -2.49 112.91 111.84 1i14 h THR 119 Ca 0.10 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 65.26 1i14 h THR 119 Cb -0.01 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1i14 h THR 119 CO -0.05 0.60 0.06 0.25 0.37 0.00 0.00 175.52 176.75 1i14 h LEU 120 N 0.27 0.93 -0.75 2.58 5.85 -1.88 -0.59 115.31 121.73 1i14 h LEU 120 Ca -0.06 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1i14 h LEU 120 Cb 1.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1i14 h LEU 120 CO 0.14 0.95 0.21 -1.13 -0.34 0.00 0.00 178.44 178.27 1i14 h ASN 121 N 0.91 1.09 -0.57 1.25 -1.24 -0.53 0.73 115.58 117.22 1i14 h ASN 121 Ca 0.18 -0.22 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 1i14 h ASN 121 Cb 0.44 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1i14 h ASN 121 CO 0.02 1.02 0.18 0.22 -1.29 0.00 0.00 177.43 177.58 1i14 h TYR 122 N 1.11 0.91 -0.51 0.67 3.20 -1.08 -2.37 116.97 118.90 1i14 h TYR 122 Ca 0.24 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 1i14 h TYR 122 Cb 0.33 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1i14 h TYR 122 CO 0.03 0.77 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.06 1i14 h LEU 123 N 0.80 1.04 0.00 2.82 3.38 -0.71 -1.42 115.31 121.22 1i14 h LEU 123 Ca 0.18 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1i14 h LEU 123 Cb 0.28 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1i14 h LEU 123 CO -0.01 1.18 -0.08 0.22 0.09 0.00 0.00 178.44 179.85 1i14 h TYR 124 N 0.89 -0.21 -0.81 1.13 3.20 -0.78 -1.50 116.97 118.89 1i14 h TYR 124 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1i14 h TYR 124 Cb 0.76 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 1i14 h TYR 124 CO 0.05 -0.13 0.35 0.45 -1.64 0.00 0.00 178.16 177.25 1i14 h HIS 125 N -0.14 1.20 0.15 -3.82 3.86 -1.33 -0.04 115.15 115.02 1i14 h HIS 125 Ca 0.03 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1i14 h HIS 125 Cb 0.18 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1i14 h HIS 125 CO -0.15 0.89 -0.07 1.98 0.86 0.00 0.00 177.93 181.44 1i14 h MET 126 N 1.16 -0.19 -0.21 2.45 1.85 -0.96 -1.52 114.93 117.51 1i14 h MET 126 Ca 0.27 0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.29 1i14 h MET 126 Cb 0.17 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1i14 h MET 126 CO -0.03 -0.12 -0.24 1.88 -0.40 0.00 0.00 176.91 177.99 1i14 h TYR 127 N -0.21 0.44 -1.00 1.39 -1.99 -1.18 -2.72 116.97 111.70 1i14 h TYR 127 Ca -0.02 -0.09 0.06 0.00 2.00 0.00 0.00 58.73 60.68 1i14 h TYR 127 Cb 0.16 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.71 1i14 h TYR 127 CO -0.07 0.61 0.65 0.35 -0.00 0.00 0.00 178.16 179.70 1i14 h PHE 128 N 0.35 1.20 0.00 4.88 3.57 -0.52 -0.52 116.94 125.90 1i14 h PHE 128 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1i14 h PHE 128 Cb 0.62 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1i14 h PHE 128 CO 0.02 0.64 0.00 0.25 -2.23 0.00 0.00 178.31 176.98 1i14 n THR 129 N -4.49 0.54 0.88 4.41 -2.24 -0.61 -2.10 114.28 110.65 1i14 n THR 129 Ca 0.15 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 62.18 1i14 n THR 129 Cb 0.16 -0.86 0.30 0.00 -2.10 0.00 0.00 70.33 67.83 1i14 n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i14 n ARG 130 N -1.29 2.07 -3.17 -0.78 1.74 -0.20 -4.99 116.66 110.02 1i14 n ARG 130 Ca 0.08 -1.60 -0.15 0.00 -0.77 0.00 0.00 57.85 55.41 1i14 n ARG 130 Cb 0.13 -1.45 0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1i14 n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i14 n ARG 131 N 0.83 -5.35 -1.52 5.56 -4.01 -0.89 -3.88 116.66 107.39 1i14 n ARG 131 Ca 0.17 0.62 -0.32 0.00 -1.04 0.00 0.00 57.85 57.28 1i14 n ARG 131 Cb 0.45 -4.98 0.06 0.00 -3.04 0.00 0.00 32.46 24.96 1i14 n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1i14 s PRO 132 N -5.47 2.67 0.51 2.89 0.04 -1.26 -1.02 135.00 133.36 1i14 s PRO 132 Ca 0.21 1.14 0.19 0.00 0.04 0.00 0.00 61.00 62.59 1i14 s PRO 132 Cb -0.09 -1.95 1.27 0.00 0.04 0.00 0.00 34.50 33.77 1i14 s PRO 132 CO 0.54 -1.32 2.06 0.00 0.04 0.00 0.00 177.00 178.31 1i14 h ALA 133 N -0.64 2.19 -2.57 8.56 0.00 0.76 -3.42 119.26 124.14 1i14 h ALA 133 Ca -0.44 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1i14 h ALA 133 Cb 1.23 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1i14 h ALA 133 CO 0.54 -0.27 0.33 -1.54 0.00 0.00 0.00 179.25 178.31 1i14 s SER 134 N -6.60 -0.49 -0.15 0.00 1.04 -1.07 -4.92 113.70 101.51 1i14 s SER 134 Ca -0.06 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 1i14 s SER 134 Cb 0.18 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.87 1i14 s SER 134 CO 0.71 -0.78 0.34 -0.22 0.98 0.00 0.00 173.24 174.27 1i14 s LEU 135 N -2.44 -0.27 0.21 2.42 2.96 -1.25 -1.38 118.68 118.93 1i14 s LEU 135 Ca 0.01 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1i14 s LEU 135 Cb -0.01 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.67 1i14 s LEU 135 CO -0.09 -0.22 0.16 -0.54 -1.32 0.00 0.00 176.35 174.34 1i14 s LYS 136 N 2.14 1.26 0.04 1.98 1.02 -0.60 -5.01 119.74 120.57 1i14 s LYS 136 Ca -0.03 -1.64 0.05 0.00 0.02 0.00 0.00 55.97 54.36 1i14 s LYS 136 Cb -0.11 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1i14 s LYS 136 CO -0.11 -0.42 -0.13 0.95 -0.92 0.00 0.00 175.35 174.72 1i14 s THR 137 N -4.09 1.05 -0.10 2.17 -4.23 -1.26 -1.32 115.64 107.85 1i14 s THR 137 Ca 0.38 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1i14 s THR 137 Cb 0.06 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 72.97 1i14 s THR 137 CO 0.13 -0.01 -0.12 0.54 -0.54 0.00 0.00 174.62 174.62 1i14 s VAL 138 N -0.84 1.23 -0.02 2.29 0.11 -0.04 -1.65 120.40 121.48 1i14 s VAL 138 Ca 0.01 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1i14 s VAL 138 Cb -0.08 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1i14 s VAL 138 CO 0.01 0.39 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.29 1i14 s VAL 139 N 1.10 1.55 -0.01 2.04 1.01 -0.42 -1.39 120.40 124.27 1i14 s VAL 139 Ca -0.06 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 1i14 s VAL 139 Cb -0.14 -1.29 -0.16 0.00 0.00 0.00 0.00 36.38 34.78 1i14 s VAL 139 CO -0.02 0.44 1.15 0.25 0.00 0.00 0.00 175.10 176.92 1i14 h LEU 140 N 5.73 -0.29 -8.77 3.92 5.85 -1.19 -2.07 115.31 118.49 1i14 h LEU 140 Ca -0.38 -0.23 -0.69 0.00 0.84 0.00 0.00 57.88 57.42 1i14 h LEU 140 Cb 1.15 0.07 -0.26 0.00 0.37 0.00 0.00 40.66 41.99 1i14 h LEU 140 CO 0.48 0.13 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.10 1i14 s LEU 141 N -9.37 2.34 -0.13 2.25 1.43 -0.42 -0.56 118.68 114.21 1i14 s LEU 141 Ca -0.14 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1i14 s LEU 141 Cb 0.02 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.85 1i14 s LEU 141 CO 0.53 0.30 -0.08 -0.62 0.23 0.00 0.00 176.35 176.71 1i14 s ASP 142 N -0.93 2.43 -1.15 2.29 -1.08 0.25 -2.29 116.67 116.20 1i14 s ASP 142 Ca 0.12 -0.43 -0.10 0.00 -0.52 0.00 0.00 52.55 51.62 1i14 s ASP 142 Cb -0.10 -0.92 0.25 0.00 -1.46 0.00 0.00 42.92 40.68 1i14 s ASP 142 CO 0.01 -0.12 1.29 0.29 0.52 0.00 0.00 175.17 177.16 1i14 n LYS 143 N 4.89 3.62 -0.20 4.34 5.02 -0.13 -0.89 118.16 134.81 1i14 n LYS 143 Ca -0.13 -4.25 0.20 0.00 -2.02 0.00 0.00 58.31 52.11 1i14 n LYS 143 Cb 0.49 -2.70 0.56 0.00 -0.02 0.00 0.00 35.03 33.37 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 6.57 0.30 -0.11 1.97 3.08 -1.82 -1.29 114.38 123.08 1i14 h ARG 144 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1i14 h ARG 144 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1i14 h ARG 144 CO 1.15 0.20 0.00 0.39 -1.07 0.00 0.00 179.97 180.64 1i14 n GLU 145 N -4.45 1.48 -0.32 0.04 1.02 -1.26 -3.87 120.64 113.28 1i14 n GLU 145 Ca 0.17 -0.72 0.11 0.00 -0.02 0.00 0.00 57.16 56.70 1i14 n GLU 145 Cb 0.71 -1.36 0.29 0.00 -0.02 0.00 0.00 31.44 31.06 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 1.01 2.10 3.78 0.62 0.00 -0.49 -5.00 105.19 107.21 1i14 n GLY 146 Ca 0.15 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.15 4.08 0.00 1.61 1.81 -0.97 -3.19 118.95 121.14 1i14 s ARG 147 Ca 0.45 2.55 0.03 0.00 -1.72 0.00 0.00 55.73 57.03 1i14 s ARG 147 Cb 0.23 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 1i14 s ARG 147 CO 0.31 -0.55 0.40 0.54 -0.68 0.00 0.00 175.30 175.32 1i14 n ARG 148 N 0.41 1.98 -3.66 3.54 5.12 -0.63 -4.92 116.66 118.50 1i14 n ARG 148 Ca 0.01 -0.41 -0.15 0.00 -1.93 0.00 0.00 57.85 55.38 1i14 n ARG 148 Cb 0.39 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 30.73 1i14 n ARG 148 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i14 s VAL 149 N -0.60 0.01 0.23 1.55 0.11 -1.21 -5.01 120.40 115.48 1i14 s VAL 149 Ca 0.02 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 1i14 s VAL 149 Cb 0.02 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1i14 s VAL 149 CO 0.06 -0.04 1.26 -2.16 -3.33 0.00 0.00 175.10 170.88 1i14 s PRO 150 N -0.32 4.44 -0.28 1.54 0.04 -1.26 -4.81 135.00 134.35 1i14 s PRO 150 Ca -0.05 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1i14 s PRO 150 Cb -0.03 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1i14 s PRO 150 CO 0.03 -0.15 0.78 0.12 0.04 0.00 0.00 177.00 177.82 1i14 s PHE 151 N -0.28 -0.83 -0.08 0.56 5.36 -1.26 -5.03 117.98 116.41 1i14 s PHE 151 Ca 0.53 1.82 0.04 0.00 -0.96 0.00 0.00 56.93 58.36 1i14 s PHE 151 Cb -0.36 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1i14 s PHE 151 CO 0.41 -0.41 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.44 1i14 s SER 152 N 0.94 2.67 0.14 6.13 0.01 -1.26 -5.08 113.70 117.26 1i14 s SER 152 Ca -0.04 -0.47 -0.25 0.00 1.31 0.00 0.00 55.95 56.49 1i14 s SER 152 Cb -0.05 -1.17 -0.08 0.00 0.21 0.00 0.00 66.02 64.94 1i14 s SER 152 CO -0.10 0.13 0.77 0.00 0.41 0.00 0.00 173.24 174.45 1i14 s ALA 153 N 0.38 3.44 0.21 1.44 0.00 -1.26 -4.92 121.76 121.05 1i14 s ALA 153 Ca -0.16 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1i14 s ALA 153 Cb -0.17 -2.95 0.16 0.00 0.00 0.00 0.00 23.12 20.17 1i14 s ALA 153 CO 0.07 0.26 1.51 -0.44 0.00 0.00 0.00 175.76 177.16 1i14 h ASP 154 N 4.53 0.40 -3.68 0.00 3.32 -1.83 -3.44 116.42 115.72 1i14 h ASP 154 Ca -0.47 -0.24 -0.34 0.00 0.02 0.00 0.00 57.03 56.00 1i14 h ASP 154 Cb 1.21 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 1i14 h ASP 154 CO 0.67 0.93 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.05 1i14 s TYR 155 N -3.75 0.46 -0.02 4.55 1.51 -0.66 -5.01 117.35 114.42 1i14 s TYR 155 Ca -0.05 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1i14 s TYR 155 Cb 0.11 -0.40 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 1i14 s TYR 155 CO 0.82 -0.08 -0.02 0.08 -1.11 0.00 0.00 175.55 175.24 1i14 s VAL 156 N 0.44 0.25 -0.02 0.71 1.01 -1.26 -1.31 120.40 120.22 1i14 s VAL 156 Ca -0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 1i14 s VAL 156 Cb -0.08 -0.30 -0.22 0.00 0.00 0.00 0.00 36.38 35.78 1i14 s VAL 156 CO -0.01 0.13 1.09 0.58 0.00 0.00 0.00 175.10 176.90 1i14 h VAL 157 N 5.91 1.48 -2.56 2.92 2.07 -0.82 -3.47 116.25 121.78 1i14 h VAL 157 Ca -0.38 -1.90 -0.10 0.00 0.82 0.00 0.00 66.70 65.14 1i14 h VAL 157 Cb 1.15 2.59 -0.23 0.00 -1.52 0.00 0.00 31.29 33.28 1i14 h VAL 157 CO 0.49 0.53 -0.15 0.00 0.02 0.00 0.00 177.57 178.46 1i14 s ALA 158 N -3.32 -1.20 0.05 1.67 0.00 0.27 -5.00 121.76 114.22 1i14 s ALA 158 Ca -0.15 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1i14 s ALA 158 Cb 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 1i14 s ALA 158 CO 0.77 -0.23 0.47 -0.80 0.00 0.00 0.00 175.76 175.96 1i14 s ASN 159 N 0.36 6.86 0.10 0.00 0.01 -1.26 -0.58 114.94 120.43 1i14 s ASN 159 Ca -0.01 1.04 -0.02 0.00 -0.71 0.00 0.00 52.86 53.16 1i14 s ASN 159 Cb -0.04 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1i14 s ASN 159 CO -0.01 0.27 0.05 0.27 -1.51 0.00 0.00 177.10 176.18 1i14 s ILE 160 N -1.17 0.14 0.99 0.60 -4.36 -0.07 -4.86 121.20 112.47 1i14 s ILE 160 Ca 0.28 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 1i14 s ILE 160 Cb -0.17 -1.79 0.23 0.00 1.25 0.00 0.00 42.46 41.97 1i14 s ILE 160 CO 0.16 -0.65 1.35 -2.16 0.24 0.00 0.00 174.94 173.88 1i14 s PRO 161 N -3.98 0.35 -1.37 0.37 0.04 -1.26 -4.32 135.00 124.82 1i14 s PRO 161 Ca 0.16 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 60.49 1i14 s PRO 161 Cb 0.07 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.83 1i14 s PRO 161 CO -0.03 -2.59 1.99 -1.71 0.04 0.00 0.00 177.00 174.70 1i14 n ASN 162 N -3.85 4.34 -4.41 6.66 2.85 -1.26 -4.89 115.26 114.70 1i14 n ASN 162 Ca 0.17 -2.87 -0.27 0.00 -0.11 0.00 0.00 54.58 51.49 1i14 n ASN 162 Cb 0.59 -1.69 -0.12 0.00 1.24 0.00 0.00 39.78 39.79 1i14 n ASN 162 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i14 s ALA 163 N 3.81 2.45 -0.42 5.20 0.00 -1.26 -5.08 121.76 126.45 1i14 s ALA 163 Ca 0.51 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 1i14 s ALA 163 Cb 0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1i14 s ALA 163 CO -0.00 0.46 0.85 0.12 0.00 0.00 0.00 175.76 177.18 1i14 s PHE 164 N -1.48 3.01 0.13 0.00 5.36 -1.26 -5.02 117.98 118.72 1i14 s PHE 164 Ca 0.18 0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 56.53 1i14 s PHE 164 Cb -0.09 -3.71 -0.05 0.00 -0.34 0.00 0.00 43.02 38.84 1i14 s PHE 164 CO 0.08 -0.95 0.33 0.14 -1.46 0.00 0.00 175.22 173.36 1i14 s VAL 165 N 3.43 5.25 0.07 3.12 -7.23 -1.26 -0.29 120.40 123.48 1i14 s VAL 165 Ca 0.34 -0.21 -0.08 0.00 -1.81 0.00 0.00 61.98 60.21 1i14 s VAL 165 Cb -0.12 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.17 1i14 s VAL 165 CO 0.22 0.01 0.18 0.27 -0.31 0.00 0.00 175.10 175.47 1i14 s ILE 166 N -1.67 0.14 0.00 -0.62 -4.36 -0.45 -4.64 121.20 109.60 1i14 s ILE 166 Ca 0.38 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 1i14 s ILE 166 Cb -0.12 -1.20 0.00 0.00 1.25 0.00 0.00 42.46 42.39 1i14 s ILE 166 CO 0.27 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1i14 n GLY 167 N 0.20 2.26 3.87 6.27 0.00 0.47 -1.29 105.19 116.97 1i14 n GLY 167 Ca -0.16 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 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 1.53 -1.82 0.00 1.61 9.36 -0.03 -1.21 117.16 126.60 1i14 n TYR 168 Ca 0.00 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.02 1i14 n TYR 168 Cb 0.00 -3.98 0.00 0.00 -0.63 0.00 0.00 39.34 34.73 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 -1.76 3.13 3.72 2.98 0.00 0.37 -4.55 105.19 109.09 1i14 n GLY 169 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 4.44 0.37 0.99 1.43 -0.35 -4.21 118.68 121.34 1i14 s LEU 170 Ca 0.00 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 1i14 s LEU 170 Cb 0.00 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 1i14 s LEU 170 CO 0.00 -0.17 -0.04 1.51 0.23 0.00 0.00 176.35 177.89 1i14 s ASP 171 N 0.43 3.61 -0.15 2.29 -4.77 -1.26 -0.39 116.67 116.42 1i14 s ASP 171 Ca 0.50 -1.29 -0.01 0.00 -3.30 0.00 0.00 52.55 48.45 1i14 s ASP 171 Cb -0.23 -0.34 0.04 0.00 -1.09 0.00 0.00 42.92 41.31 1i14 s ASP 171 CO 0.29 -0.35 -0.02 -0.47 0.70 0.00 0.00 175.17 175.32 1i14 s TYR 172 N -2.74 1.27 -1.57 2.11 5.04 -0.88 -4.75 117.35 115.84 1i14 s TYR 172 Ca 0.34 -0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 54.02 1i14 s TYR 172 Cb 0.06 -1.11 0.10 0.00 0.35 0.00 0.00 41.96 41.36 1i14 s TYR 172 CO 0.17 -0.54 0.95 -3.47 -1.34 0.00 0.00 175.55 171.31 1i14 n ASP 173 N 4.99 -4.49 -1.37 4.32 2.03 -1.26 -1.15 116.55 119.62 1i14 n ASP 173 Ca -0.10 -0.83 -0.17 0.00 0.52 0.00 0.00 54.79 54.21 1i14 n ASP 173 Cb 0.48 -3.66 -0.07 0.00 -0.72 0.00 0.00 41.12 37.16 1i14 n ASP 173 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1i14 n ASP 174 N -2.80 -5.04 -4.53 1.67 2.03 -1.26 -4.99 116.55 101.63 1i14 n ASP 174 Ca 0.05 0.37 -0.28 0.00 0.52 0.00 0.00 54.79 55.45 1i14 n ASP 174 Cb 0.52 -4.04 -0.10 0.00 -0.72 0.00 0.00 41.12 36.77 1i14 n ASP 174 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i14 s THR 175 N -2.65 3.00 0.00 5.18 2.01 -0.30 -4.74 115.64 118.14 1i14 s THR 175 Ca 0.00 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.35 1i14 s THR 175 Cb 0.00 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1i14 s THR 175 CO 0.00 -0.05 0.00 -1.22 -0.69 0.00 0.00 174.62 172.66 1i14 n TYR 176 N 0.29 0.00 0.12 4.92 4.02 -1.26 -2.06 117.16 123.20 1i14 n TYR 176 Ca -0.12 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.81 1i14 n TYR 176 Cb 0.55 -0.47 0.45 0.00 -0.02 0.00 0.00 39.34 39.85 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 1.39 0.25 0.00 -0.72 3.08 -1.85 -2.83 114.38 113.69 1i14 h ARG 177 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1i14 h ARG 177 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1i14 h ARG 177 CO 0.00 0.30 0.00 -0.85 -1.07 0.00 0.00 179.97 178.35 1i14 n GLU 178 N -4.37 0.35 -1.95 0.04 0.00 -1.26 -0.48 120.64 112.99 1i14 n GLU 178 Ca -0.00 0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.83 1i14 n GLU 178 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.14 1i14 n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i14 s LEU 179 N -2.51 4.17 0.39 -1.84 1.43 -1.08 -4.84 118.68 114.41 1i14 s LEU 179 Ca 0.22 2.77 0.26 0.00 -1.03 0.00 0.00 54.13 56.34 1i14 s LEU 179 Cb 0.15 -3.92 0.68 0.00 0.03 0.00 0.00 46.19 43.13 1i14 s LEU 179 CO 0.32 -0.99 1.72 0.03 0.23 0.00 0.00 176.35 177.67 1i14 h ARG 180 N 2.52 0.00 -6.06 1.70 3.08 -1.92 -0.04 114.38 113.66 1i14 h ARG 180 Ca -0.50 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 1i14 h ARG 180 Cb 1.25 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.22 1i14 h ARG 180 CO 0.62 0.00 -0.57 -0.51 -1.07 0.00 0.00 179.97 178.44 1i14 s ASP 181 N -5.59 4.49 -0.23 7.04 1.01 -1.26 -3.73 116.67 118.40 1i14 s ASP 181 Ca 0.07 -0.86 -0.06 0.00 0.71 0.00 0.00 52.55 52.40 1i14 s ASP 181 Cb 0.08 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 43.33 1i14 s ASP 181 CO 0.61 -0.28 0.03 -0.63 0.21 0.00 0.00 175.17 175.10 1i14 s ILE 182 N -2.46 4.01 0.27 0.77 1.01 -0.22 -3.20 121.20 121.37 1i14 s ILE 182 Ca 0.37 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1i14 s ILE 182 Cb -0.01 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 1i14 s ILE 182 CO 0.21 0.38 0.02 0.68 0.00 0.00 0.00 174.94 176.24 1i14 s VAL 183 N 1.40 1.13 -0.21 2.92 -7.23 -0.41 -0.87 120.40 117.13 1i14 s VAL 183 Ca 0.05 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 1i14 s VAL 183 Cb -0.15 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1i14 s VAL 183 CO 0.01 -0.19 0.20 -0.69 -0.31 0.00 0.00 175.10 174.12 1i14 s VAL 184 N -3.35 5.35 0.01 1.32 1.01 0.30 -1.34 120.40 123.69 1i14 s VAL 184 Ca 0.32 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1i14 s VAL 184 Cb 0.07 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1i14 s VAL 184 CO 0.12 0.37 1.62 -0.22 0.00 0.00 0.00 175.10 176.98 1i14 s LEU 185 N 0.81 4.34 0.09 3.92 2.96 0.60 -1.36 118.68 130.05 1i14 s LEU 185 Ca 0.10 2.34 -0.31 0.00 -0.22 0.00 0.00 54.13 56.04 1i14 s LEU 185 Cb -0.13 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1i14 s LEU 185 CO 0.03 -0.88 1.25 0.00 -1.32 0.00 0.00 176.35 175.43 1i14 s ARG 186 N 3.16 4.41 0.31 1.98 1.70 -0.10 -4.70 118.95 125.71 1i14 s ARG 186 Ca 0.72 1.86 0.02 0.00 -0.47 0.00 0.00 55.73 57.87 1i14 s ARG 186 Cb -0.36 -3.30 0.76 0.00 -0.57 0.00 0.00 34.95 31.47 1i14 s ARG 186 CO 0.30 -0.28 1.58 -1.35 -1.08 0.00 0.00 175.30 174.48 1i14 h PRO 187 N 6.55 0.03 -0.05 3.89 0.11 -1.92 0.11 132.00 140.72 1i14 h PRO 187 Ca -0.42 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1i14 h PRO 187 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i14 h PRO 187 CO 0.81 0.02 0.05 0.93 -0.21 0.00 0.00 178.00 179.61 1i14 h GLU 188 N 0.03 0.00 0.20 1.05 3.07 -1.96 0.74 114.58 117.70 1i14 h GLU 188 Ca 0.60 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.16 1i14 h GLU 188 Cb 1.24 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1i14 h GLU 188 CO -0.88 0.00 -1.39 0.28 -1.40 0.00 0.00 179.01 175.62 1i14 h VAL 189 N 0.00 1.22 0.00 3.13 2.07 -1.31 -3.26 116.25 118.10 1i14 h VAL 189 Ca 0.02 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 1i14 h VAL 189 Cb 0.13 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1i14 h VAL 189 CO -0.00 0.79 -0.09 1.88 0.02 0.00 0.00 177.57 180.17 1i14 h TYR 190 N -0.04 0.00 -0.01 1.57 0.99 -1.22 -3.51 116.97 114.76 1i14 h TYR 190 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1i14 h TYR 190 Cb 1.99 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.72 1i14 h TYR 190 CO 0.14 0.09 0.00 0.00 -0.00 0.00 0.00 178.16 178.39