#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix3 h LEU 8 N 0.00 0.64 -0.60 -2.13 3.38 -2.00 0.13 115.31 114.73 3ix3 h LEU 8 Ca 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3ix3 h LEU 8 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3ix3 h LEU 8 CO 0.00 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 178.98 3ix3 h GLU 9 N 0.61 0.94 -0.67 1.13 5.08 -2.02 0.73 114.58 120.39 3ix3 h GLU 9 Ca 0.16 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ix3 h GLU 9 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3ix3 h GLU 9 CO -0.02 0.86 0.44 -0.07 -1.00 0.00 0.00 179.01 179.23 3ix3 h LEU 10 N 0.86 0.74 0.15 1.33 3.38 -1.86 0.11 115.31 120.02 3ix3 h LEU 10 Ca 0.19 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 3ix3 h LEU 10 Cb 0.33 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3ix3 h LEU 10 CO -0.00 0.53 -1.32 -0.33 0.09 0.00 0.00 178.44 177.41 3ix3 h GLU 11 N 0.87 0.31 0.00 1.13 4.39 -0.49 -3.20 114.58 117.59 3ix3 h GLU 11 Ca 0.25 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3ix3 h GLU 11 Cb -0.05 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3ix3 h GLU 11 CO -0.06 1.24 0.00 0.00 -1.16 0.00 0.00 179.01 179.03 3ix3 h ARG 12 N 0.09 0.00 -7.23 2.33 3.08 -0.61 -3.45 114.38 108.59 3ix3 h ARG 12 Ca -0.17 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.36 3ix3 h ARG 12 Cb 2.01 0.00 0.14 0.00 0.08 0.00 0.00 29.97 32.20 3ix3 h ARG 12 CO 0.21 0.00 0.34 -1.54 -1.07 0.00 0.00 179.97 177.91 3ix3 s SER 13 N -5.63 4.35 -0.08 7.04 1.04 0.00 -5.04 113.70 115.37 3ix3 s SER 13 Ca 0.01 2.10 0.02 0.00 0.48 0.00 0.00 55.95 58.56 3ix3 s SER 13 Cb 0.09 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.66 3ix3 s SER 13 CO 0.54 -2.15 -0.13 -0.55 0.98 0.00 0.00 173.24 171.92 3ix3 s SER 14 N -2.61 2.06 0.02 7.02 0.15 -1.26 -4.97 113.70 114.12 3ix3 s SER 14 Ca 0.68 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.98 3ix3 s SER 14 Cb -0.23 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 3ix3 s SER 14 CO 0.48 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.56 3ix3 n GLY 15 N 3.99 -2.13 0.25 9.45 0.00 -1.26 -4.21 105.19 111.28 3ix3 n GLY 15 Ca -0.21 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 3ix3 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix3 h LYS 16 N -0.05 0.85 -0.42 1.61 3.64 -1.98 -2.60 116.57 117.63 3ix3 h LYS 16 Ca -0.00 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3ix3 h LYS 16 Cb 0.05 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3ix3 h LYS 16 CO 0.00 1.11 0.20 1.25 -2.27 0.00 0.00 179.45 179.74 3ix3 h LEU 17 N 0.69 0.54 -0.16 5.20 7.12 -1.99 0.12 115.31 126.82 3ix3 h LEU 17 Ca 0.05 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 3ix3 h LEU 17 Cb 1.01 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 3ix3 h LEU 17 CO 0.10 0.51 -0.00 -0.08 -0.13 0.00 0.00 178.44 178.84 3ix3 h GLU 18 N 0.53 0.29 -0.49 1.25 4.81 -1.72 0.39 114.58 119.64 3ix3 h GLU 18 Ca 0.14 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ix3 h GLU 18 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ix3 h GLU 18 CO -0.02 0.52 0.30 2.35 -0.73 0.00 0.00 179.01 181.43 3ix3 h TRP 19 N 0.04 0.56 -0.46 0.92 7.01 -1.34 -1.07 115.95 121.61 3ix3 h TRP 19 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3ix3 h TRP 19 Cb 0.39 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 3ix3 h TRP 19 CO 0.04 0.33 0.26 1.03 -2.79 0.00 0.00 178.44 177.31 3ix3 h SER 20 N 0.60 0.56 -0.72 2.65 0.87 -0.62 -1.11 113.55 115.79 3ix3 h SER 20 Ca 0.19 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3ix3 h SER 20 Cb 0.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3ix3 h SER 20 CO -0.08 0.48 0.44 0.00 -0.53 0.00 0.00 176.83 177.14 3ix3 h ALA 21 N 1.11 0.91 -0.09 6.23 0.00 -0.54 0.51 119.26 127.39 3ix3 h ALA 21 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ix3 h ALA 21 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ix3 h ALA 21 CO -0.03 0.37 0.03 0.82 0.00 0.00 0.00 179.25 180.44 3ix3 h ILE 22 N 0.97 1.18 -0.59 0.00 2.04 -0.91 -1.45 117.51 118.74 3ix3 h ILE 22 Ca 0.26 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3ix3 h ILE 22 Cb -0.05 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3ix3 h ILE 22 CO -0.05 0.15 0.38 0.25 0.00 0.00 0.00 178.15 178.89 3ix3 h LEU 23 N -0.05 0.68 -0.87 1.44 5.85 -0.99 -0.57 115.31 120.82 3ix3 h LEU 23 Ca 0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ix3 h LEU 23 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ix3 h LEU 23 CO -0.00 0.50 0.48 1.56 -0.34 0.00 0.00 178.44 180.64 3ix3 h GLN 24 N 0.80 1.20 -0.45 1.25 4.20 -0.82 -1.40 115.11 119.89 3ix3 h GLN 24 Ca 0.22 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 3ix3 h GLN 24 Cb -0.08 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 3ix3 h GLN 24 CO -0.05 0.88 -0.26 -0.22 -0.67 0.00 0.00 178.83 178.51 3ix3 h LYS 25 N 1.21 0.95 -0.48 1.46 1.63 -0.97 -0.71 116.57 119.66 3ix3 h LYS 25 Ca 0.31 -0.43 0.05 0.00 -0.85 0.00 0.00 60.65 59.73 3ix3 h LYS 25 Cb 0.02 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 3ix3 h LYS 25 CO -0.05 1.09 0.21 0.52 -3.45 0.00 0.00 179.45 177.77 3ix3 h MET 26 N 0.81 0.40 -0.16 1.90 2.86 -0.79 0.10 114.93 120.06 3ix3 h MET 26 Ca 0.10 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3ix3 h MET 26 Cb 0.83 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3ix3 h MET 26 CO 0.07 0.27 0.08 0.00 1.06 0.00 0.00 176.91 178.39 3ix3 h ALA 27 N 1.28 0.21 -0.70 6.32 0.00 -1.07 -2.41 119.26 122.89 3ix3 h ALA 27 Ca 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ix3 h ALA 27 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ix3 h ALA 27 CO -0.19 -0.25 0.23 1.03 0.00 0.00 0.00 179.25 180.08 3ix3 h SER 28 N 0.14 1.01 0.04 0.00 0.87 -0.89 -0.93 113.55 113.80 3ix3 h SER 28 Ca 0.06 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3ix3 h SER 28 Cb 0.10 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3ix3 h SER 28 CO -0.01 0.94 -0.07 0.44 -0.53 0.00 0.00 176.83 177.60 3ix3 h ASP 29 N 1.02 0.09 1.21 6.23 3.32 -0.72 -1.18 116.42 126.39 3ix3 h ASP 29 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ix3 h ASP 29 Cb 0.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ix3 h ASP 29 CO -0.01 0.18 -0.05 0.18 -1.72 0.00 0.00 179.24 177.82 3ix3 n LEU 30 N -4.40 0.45 0.00 1.55 4.77 -0.83 -4.92 117.00 113.62 3ix3 n LEU 30 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3ix3 n LEU 30 Cb 0.18 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3ix3 n LEU 30 CO 0.36 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3ix3 n GLY 31 N 1.40 1.35 3.32 -0.72 0.00 -0.45 -5.06 105.19 105.02 3ix3 n GLY 31 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ix3 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix3 s PHE 32 N -2.00 3.12 -0.46 1.61 0.40 -0.42 -4.62 117.98 115.62 3ix3 s PHE 32 Ca 0.00 -1.07 0.23 0.00 -0.60 0.00 0.00 56.93 55.49 3ix3 s PHE 32 Cb 0.00 -2.21 0.38 0.00 0.51 0.00 0.00 43.02 41.70 3ix3 s PHE 32 CO 0.00 -0.60 1.61 0.66 0.70 0.00 0.00 175.22 177.59 3ix3 h SER 33 N 8.19 0.00 -4.13 1.36 4.64 -1.78 -3.01 113.55 118.83 3ix3 h SER 33 Ca -0.32 -0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.52 3ix3 h SER 33 Cb 1.13 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.92 3ix3 h SER 33 CO 0.60 0.00 -0.81 -0.54 -0.87 0.00 0.00 176.83 175.21 3ix3 s LYS 34 N -3.20 1.16 0.00 4.77 -0.14 -1.21 -4.97 119.74 116.14 3ix3 s LYS 34 Ca 0.07 -0.48 -0.05 0.00 -1.36 0.00 0.00 55.97 54.15 3ix3 s LYS 34 Cb 0.06 -1.10 -0.00 0.00 -1.68 0.00 0.00 37.83 35.10 3ix3 s LYS 34 CO 0.67 0.27 0.08 0.96 -0.76 0.00 0.00 175.35 176.57 3ix3 s ILE 35 N -0.23 0.08 -0.04 2.17 -4.36 -1.26 -1.03 121.20 116.53 3ix3 s ILE 35 Ca 0.04 -0.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 3ix3 s ILE 35 Cb -0.06 -0.34 0.02 0.00 1.25 0.00 0.00 42.46 43.33 3ix3 s ILE 35 CO -0.00 -0.35 -0.04 -0.22 0.24 0.00 0.00 174.94 174.57 3ix3 s LEU 36 N -1.17 1.35 -0.20 0.37 0.20 -0.49 -1.71 118.68 117.02 3ix3 s LEU 36 Ca -0.13 -0.11 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 3ix3 s LEU 36 Cb -0.07 -0.40 -0.00 0.00 -0.43 0.00 0.00 46.19 45.29 3ix3 s LEU 36 CO 0.01 -0.05 -0.10 0.12 -0.29 0.00 0.00 176.35 176.03 3ix3 s PHE 37 N 0.86 2.88 -0.00 5.38 5.36 0.04 -0.39 117.98 132.11 3ix3 s PHE 37 Ca -0.11 -1.12 0.05 0.00 -0.96 0.00 0.00 56.93 54.79 3ix3 s PHE 37 Cb -0.14 -2.01 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 3ix3 s PHE 37 CO -0.00 -0.58 -0.16 0.20 -1.46 0.00 0.00 175.22 173.21 3ix3 s GLY 38 N 1.27 0.81 -0.13 13.12 0.00 -0.12 -0.34 107.32 121.95 3ix3 s GLY 38 Ca 0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 3ix3 s GLY 38 CO -0.05 -0.63 0.35 -2.27 0.00 0.00 0.00 173.10 170.50 3ix3 s LEU 39 N -0.51 0.66 0.15 0.66 2.96 -0.01 -1.13 118.68 121.47 3ix3 s LEU 39 Ca 0.06 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3ix3 s LEU 39 Cb -0.07 1.21 -0.04 0.00 0.50 0.00 0.00 46.19 47.80 3ix3 s LEU 39 CO -0.00 -0.14 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.94 3ix3 s LEU 40 N 0.13 2.40 0.82 -0.68 1.43 0.76 -1.13 118.68 122.41 3ix3 s LEU 40 Ca -0.01 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 3ix3 s LEU 40 Cb -0.03 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.45 3ix3 s LEU 40 CO 0.01 -0.01 1.15 -2.16 0.23 0.00 0.00 176.35 175.57 3ix3 s PRO 41 N -2.54 1.86 0.31 1.29 0.04 -1.26 -1.16 135.00 133.55 3ix3 s PRO 41 Ca 0.13 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 3ix3 s PRO 41 Cb -0.07 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 3ix3 s PRO 41 CO 0.06 -1.69 1.00 1.17 0.04 0.00 0.00 177.00 177.58 3ix3 n LYS 42 N -3.41 1.36 -3.65 4.56 4.81 -1.23 -2.81 118.16 117.79 3ix3 n LYS 42 Ca 0.07 0.48 -0.27 0.00 -0.87 0.00 0.00 58.31 57.72 3ix3 n LYS 42 Cb 0.60 -1.87 0.02 0.00 0.02 0.00 0.00 35.03 33.79 3ix3 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix3 n ASP 43 N 1.12 -4.71 -4.30 3.14 8.00 -1.26 -4.99 116.55 113.55 3ix3 n ASP 43 Ca 0.09 -0.61 -0.32 0.00 0.71 0.00 0.00 54.79 54.67 3ix3 n ASP 43 Cb 0.33 -3.80 -0.16 0.00 -0.02 0.00 0.00 41.12 37.48 3ix3 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix3 s SER 44 N -3.06 3.26 -0.20 -2.24 0.15 -1.12 -4.99 113.70 105.50 3ix3 s SER 44 Ca 0.55 -0.46 0.14 0.00 0.70 0.00 0.00 55.95 56.88 3ix3 s SER 44 Cb -0.28 -0.94 0.43 0.00 -1.71 0.00 0.00 66.02 63.53 3ix3 s SER 44 CO 0.68 0.24 1.31 1.67 1.20 0.00 0.00 173.24 178.34 3ix3 n GLN 45 N 2.96 1.88 -1.72 5.44 7.27 -1.26 -4.87 117.38 127.08 3ix3 n GLN 45 Ca -0.18 -2.96 -0.41 0.00 0.07 0.00 0.00 57.00 53.53 3ix3 n GLN 45 Cb 0.52 -1.69 -0.01 0.00 2.41 0.00 0.00 30.24 31.47 3ix3 n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3ix3 n ASP 46 N -1.07 5.81 -0.02 1.69 2.03 -1.26 -4.76 116.55 118.97 3ix3 n ASP 46 Ca 0.22 -2.82 0.07 0.00 0.52 0.00 0.00 54.79 52.78 3ix3 n ASP 46 Cb 0.82 -1.58 0.46 0.00 -0.72 0.00 0.00 41.12 40.10 3ix3 n ASP 46 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3ix3 h TYR 47 N 5.56 0.47 0.00 -0.67 0.99 -2.00 -1.58 116.97 119.73 3ix3 h TYR 47 Ca 0.65 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.39 3ix3 h TYR 47 Cb 0.51 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.08 3ix3 h TYR 47 CO 1.57 0.27 0.00 0.39 -0.00 0.00 0.00 178.16 180.39 3ix3 n GLU 48 N -4.48 0.10 -0.80 4.88 4.71 -1.26 -2.98 120.64 120.81 3ix3 n GLU 48 Ca 0.05 0.12 0.05 0.00 -0.01 0.00 0.00 57.16 57.37 3ix3 n GLU 48 Cb 0.16 -1.50 0.12 0.00 -1.01 0.00 0.00 31.44 29.21 3ix3 n GLU 48 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ix3 n ASN 49 N -1.43 1.39 -4.71 1.62 3.02 -0.61 -5.00 115.26 109.54 3ix3 n ASN 49 Ca 0.07 -2.97 -0.30 0.00 -0.03 0.00 0.00 54.58 51.35 3ix3 n ASN 49 Cb 0.22 -0.41 0.14 0.00 -0.61 0.00 0.00 39.78 39.13 3ix3 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix3 s ALA 50 N -1.79 1.51 -0.18 5.41 0.00 -1.15 -4.98 121.76 120.58 3ix3 s ALA 50 Ca 0.32 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 3ix3 s ALA 50 Cb 0.32 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 3ix3 s ALA 50 CO -0.08 -2.40 1.28 0.12 0.00 0.00 0.00 175.76 174.68 3ix3 s PHE 51 N -2.88 2.80 -0.08 0.00 5.36 -0.29 -4.89 117.98 118.00 3ix3 s PHE 51 Ca 0.64 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.60 3ix3 s PHE 51 Cb -0.19 -3.56 0.01 0.00 -0.34 0.00 0.00 43.02 38.93 3ix3 s PHE 51 CO 0.57 -1.77 -0.18 0.42 -1.46 0.00 0.00 175.22 172.81 3ix3 s ILE 52 N 3.64 1.55 0.07 3.12 -1.09 -1.26 -0.83 121.20 126.40 3ix3 s ILE 52 Ca 0.55 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 3ix3 s ILE 52 Cb -0.21 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 3ix3 s ILE 52 CO 0.16 0.45 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.43 3ix3 s VAL 53 N 0.46 1.58 -4.24 2.92 1.01 0.54 -4.99 120.40 117.69 3ix3 s VAL 53 Ca -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3ix3 s VAL 53 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3ix3 s VAL 53 CO 0.06 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3ix3 n GLY 54 N 1.52 0.90 0.63 4.51 0.00 -1.26 -0.78 105.19 110.70 3ix3 n GLY 54 Ca -0.18 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 43.94 3ix3 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix3 n ASN 55 N 0.83 1.47 -4.64 1.61 2.04 -0.70 -5.02 115.26 110.86 3ix3 n ASN 55 Ca 0.00 -2.99 -0.39 0.00 -0.44 0.00 0.00 54.58 50.76 3ix3 n ASN 55 Cb 0.00 -0.40 0.04 0.00 -2.53 0.00 0.00 39.78 36.88 3ix3 n ASN 55 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 3ix3 n TYR 56 N -0.70 1.25 -1.71 -2.53 0.53 -1.25 -4.79 117.16 107.97 3ix3 n TYR 56 Ca 0.13 0.47 -0.43 0.00 -1.02 0.00 0.00 57.90 57.05 3ix3 n TYR 56 Cb 0.77 -2.22 -0.02 0.00 -1.03 0.00 0.00 39.34 36.84 3ix3 n TYR 56 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 3ix3 n PRO 57 N -0.58 2.37 -0.36 -0.72 -0.02 -1.26 -4.81 135.00 129.62 3ix3 n PRO 57 Ca 0.11 0.84 0.06 0.00 -2.02 0.00 0.00 63.50 62.49 3ix3 n PRO 57 Cb 0.44 -2.57 0.22 0.00 -0.02 0.00 0.00 33.50 31.57 3ix3 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix3 h ALA 58 N 4.55 1.45 -0.04 3.55 0.00 -1.99 -1.00 119.26 125.78 3ix3 h ALA 58 Ca -0.46 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3ix3 h ALA 58 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ix3 h ALA 58 CO 0.78 0.25 -0.37 0.00 0.00 0.00 0.00 179.25 179.91 3ix3 h ALA 59 N 1.51 1.30 -0.13 0.00 0.00 -2.00 -0.60 119.26 119.35 3ix3 h ALA 59 Ca 0.48 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ix3 h ALA 59 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ix3 h ALA 59 CO -0.25 0.50 -0.10 2.35 0.00 0.00 0.00 179.25 181.75 3ix3 h TRP 60 N 0.08 0.35 -0.59 0.00 2.91 -1.59 -2.05 115.95 115.06 3ix3 h TRP 60 Ca 0.01 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 59.98 3ix3 h TRP 60 Cb 0.69 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 3ix3 h TRP 60 CO 0.00 0.67 0.31 0.00 -1.03 0.00 0.00 178.44 178.40 3ix3 h ARG 61 N -0.07 0.56 -0.33 2.65 2.47 -0.94 0.11 114.38 118.83 3ix3 h ARG 61 Ca 0.02 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3ix3 h ARG 61 Cb 0.60 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3ix3 h ARG 61 CO 0.03 0.37 0.06 0.93 0.56 0.00 0.00 179.97 181.92 3ix3 h GLU 62 N 0.58 0.54 -0.30 0.04 5.08 -1.11 -1.74 114.58 117.68 3ix3 h GLU 62 Ca 0.27 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3ix3 h GLU 62 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ix3 h GLU 62 CO -0.18 0.63 0.11 1.25 -1.00 0.00 0.00 179.01 179.82 3ix3 h HIS 63 N 0.38 0.46 -0.37 4.33 2.76 -1.15 -1.22 115.15 120.34 3ix3 h HIS 63 Ca 0.10 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 3ix3 h HIS 63 Cb 0.35 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 29.10 3ix3 h HIS 63 CO 0.02 0.46 -0.05 -0.92 -1.30 0.00 0.00 177.93 176.14 3ix3 h TYR 64 N 0.32 -0.12 -0.46 5.26 3.20 -0.66 0.12 116.97 124.62 3ix3 h TYR 64 Ca 0.10 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3ix3 h TYR 64 Cb 0.20 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3ix3 h TYR 64 CO -0.00 -0.12 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.88 3ix3 h ASP 65 N 0.04 0.87 -0.47 -2.11 3.32 -1.23 -0.53 116.42 116.31 3ix3 h ASP 65 Ca 0.18 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 3ix3 h ASP 65 Cb 0.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3ix3 h ASP 65 CO -0.35 1.01 -0.06 0.03 -1.72 0.00 0.00 179.24 178.15 3ix3 h ARG 66 N 0.71 0.86 -0.00 3.56 3.08 -0.72 -2.73 114.38 119.15 3ix3 h ARG 66 Ca 0.12 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ix3 h ARG 66 Cb 0.61 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3ix3 h ARG 66 CO 0.04 0.94 -0.01 0.00 -1.07 0.00 0.00 179.97 179.87 3ix3 n ALA 67 N -2.46 2.61 -2.50 0.04 0.00 0.36 -4.92 120.51 113.64 3ix3 n ALA 67 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 3ix3 n ALA 67 Cb 0.35 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.33 3ix3 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix3 n GLY 68 N 1.14 -0.09 0.27 0.00 0.00 -0.94 -4.90 105.19 100.67 3ix3 n GLY 68 Ca 0.19 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 46.11 3ix3 n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ix3 h TYR 69 N -0.47 0.00 -0.07 1.61 0.05 -1.37 -2.00 116.97 114.72 3ix3 h TYR 69 Ca -0.31 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.49 3ix3 h TYR 69 Cb 1.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 3ix3 h TYR 69 CO 0.33 0.00 0.08 0.00 -1.05 0.00 0.00 178.16 177.52 3ix3 h ALA 70 N 2.03 1.58 -0.02 3.88 0.00 -1.91 0.36 119.26 125.17 3ix3 h ALA 70 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ix3 h ALA 70 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ix3 h ALA 70 CO 0.00 -0.12 -0.04 0.54 0.00 0.00 0.00 179.25 179.64 3ix3 n ARG 71 N -3.73 1.61 -0.02 0.00 1.74 -0.75 -4.19 116.66 111.31 3ix3 n ARG 71 Ca -0.01 -0.98 -0.03 0.00 -0.77 0.00 0.00 57.85 56.07 3ix3 n ARG 71 Cb 0.18 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3ix3 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ix3 n VAL 72 N 0.16 0.20 -1.60 1.55 0.31 -0.34 -5.01 118.33 113.60 3ix3 n VAL 72 Ca 0.18 -0.07 -0.50 0.00 -0.01 0.00 0.00 64.34 63.93 3ix3 n VAL 72 Cb 0.37 -0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 3ix3 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ix3 n ASP 73 N -2.67 2.83 0.24 4.52 -0.08 0.11 -4.78 116.55 116.73 3ix3 n ASP 73 Ca -0.06 0.72 0.17 0.00 -1.51 0.00 0.00 54.79 54.10 3ix3 n ASP 73 Cb 0.56 -1.32 0.75 0.00 2.34 0.00 0.00 41.12 43.46 3ix3 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix3 h PRO 74 N 10.62 0.00 -0.15 -0.67 0.13 -1.90 -2.28 132.00 137.75 3ix3 h PRO 74 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 3ix3 h PRO 74 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3ix3 h PRO 74 CO 0.98 0.00 -0.39 1.79 -0.23 0.00 0.00 178.00 180.15 3ix3 h THR 75 N 0.00 1.30 -0.02 1.56 1.35 -1.93 -2.30 112.91 112.87 3ix3 h THR 75 Ca 0.00 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.35 3ix3 h THR 75 Cb 0.30 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3ix3 h THR 75 CO 0.00 0.45 -0.04 0.58 -0.25 0.00 0.00 175.52 176.27 3ix3 h VAL 76 N 0.28 1.45 -0.93 6.82 2.07 -1.69 -1.75 116.25 122.50 3ix3 h VAL 76 Ca 0.03 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.24 3ix3 h VAL 76 Cb 0.81 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 3ix3 h VAL 76 CO 0.06 0.36 0.60 0.77 0.02 0.00 0.00 177.57 179.39 3ix3 h SER 77 N -0.49 0.94 -0.33 0.57 4.64 -1.61 -1.69 113.55 115.58 3ix3 h SER 77 Ca 0.00 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3ix3 h SER 77 Cb 0.61 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3ix3 h SER 77 CO 0.01 0.60 0.13 -0.74 -0.87 0.00 0.00 176.83 175.97 3ix3 h HIS 78 N 1.07 0.24 -0.41 4.77 6.17 -1.30 -2.12 115.15 123.56 3ix3 h HIS 78 Ca 0.40 0.02 0.08 0.00 0.71 0.00 0.00 60.37 61.57 3ix3 h HIS 78 Cb 0.18 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 3ix3 h HIS 78 CO -0.00 0.12 0.28 0.00 0.71 0.00 0.00 177.93 179.04 3ix3 h THR 80 N 0.21 0.00 0.00 0.00 1.35 -0.91 -3.28 112.91 110.28 3ix3 h THR 80 Ca 0.19 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3ix3 h THR 80 Cb 0.47 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3ix3 h THR 80 CO -0.03 0.00 -0.66 0.00 -0.25 0.00 0.00 175.52 174.57 3ix3 n GLN 81 N -2.41 3.19 -3.90 4.72 6.02 -0.30 -5.07 117.38 119.63 3ix3 n GLN 81 Ca 0.03 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 3ix3 n GLN 81 Cb 0.30 -0.93 -0.08 0.00 1.02 0.00 0.00 30.24 30.55 3ix3 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix3 s SER 82 N -2.02 0.17 0.00 1.08 0.15 -0.68 -5.02 113.70 107.38 3ix3 s SER 82 Ca 0.01 -0.65 0.21 0.00 0.70 0.00 0.00 55.95 56.22 3ix3 s SER 82 Cb 0.05 0.30 0.15 0.00 -1.71 0.00 0.00 66.02 64.80 3ix3 s SER 82 CO 0.27 -0.66 1.16 1.33 1.20 0.00 0.00 173.24 176.54 3ix3 n VAL 83 N 0.16 0.00 -3.59 4.45 0.24 -1.26 -4.67 118.33 113.66 3ix3 n VAL 83 Ca -0.16 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 3ix3 n VAL 83 Cb 0.61 1.42 -0.04 0.00 -1.47 0.00 0.00 33.84 34.36 3ix3 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix3 s LEU 84 N -1.84 4.21 0.67 1.34 1.43 -1.26 -4.57 118.68 118.65 3ix3 s LEU 84 Ca 0.24 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 3ix3 s LEU 84 Cb 0.18 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 43.05 3ix3 s LEU 84 CO 0.29 -0.03 1.21 -2.16 0.23 0.00 0.00 176.35 175.89 3ix3 s PRO 85 N -3.02 2.50 -0.18 1.29 0.04 -1.26 -4.41 135.00 129.96 3ix3 s PRO 85 Ca 0.42 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.26 3ix3 s PRO 85 Cb -0.11 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3ix3 s PRO 85 CO 0.26 -1.57 -0.19 -1.50 0.04 0.00 0.00 177.00 174.04 3ix3 s ILE 86 N -1.81 1.99 0.24 0.56 2.07 -0.29 -4.99 121.20 118.97 3ix3 s ILE 86 Ca 0.76 -0.90 -0.25 0.00 -1.41 0.00 0.00 60.65 58.85 3ix3 s ILE 86 Cb -0.30 -1.81 -0.09 0.00 0.13 0.00 0.00 42.46 40.40 3ix3 s ILE 86 CO 0.40 0.52 0.83 -0.36 -1.91 0.00 0.00 174.94 174.43 3ix3 s PHE 87 N 1.32 3.78 -1.43 3.50 0.40 -1.26 -1.05 117.98 123.25 3ix3 s PHE 87 Ca 0.05 1.64 -0.13 0.00 -0.60 0.00 0.00 56.93 57.90 3ix3 s PHE 87 Cb -0.13 -2.80 0.06 0.00 0.51 0.00 0.00 43.02 40.67 3ix3 s PHE 87 CO -0.13 0.37 2.19 0.91 0.70 0.00 0.00 175.22 179.27 3ix3 n TRP 88 N 1.04 3.34 -3.39 0.36 8.01 -0.45 -4.88 117.44 121.47 3ix3 n TRP 88 Ca -0.02 -2.94 -0.27 0.00 -1.31 0.00 0.00 57.50 52.96 3ix3 n TRP 88 Cb 0.50 -2.41 -0.02 0.00 -2.01 0.00 0.00 31.31 27.36 3ix3 n TRP 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3ix3 s GLU 89 N 2.48 3.57 0.49 -0.99 0.41 -1.26 -4.69 118.70 118.71 3ix3 s GLU 89 Ca 0.47 -0.15 0.23 0.00 -0.41 0.00 0.00 54.97 55.11 3ix3 s GLU 89 Cb 0.13 -2.68 1.28 0.00 -1.78 0.00 0.00 34.13 31.08 3ix3 s GLU 89 CO -0.07 0.22 1.93 -1.35 -0.49 0.00 0.00 175.26 175.49 3ix3 h PRO 90 N 1.43 0.17 -0.02 0.39 0.11 -1.95 -1.29 132.00 130.84 3ix3 h PRO 90 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ix3 h PRO 90 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ix3 h PRO 90 CO 0.65 0.11 0.06 0.66 -0.21 0.00 0.00 178.00 179.27 3ix3 h SER 91 N 0.17 0.00 0.97 -2.05 4.64 -1.96 -1.01 113.55 114.32 3ix3 h SER 91 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3ix3 h SER 91 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ix3 h SER 91 CO -0.06 0.00 -0.42 2.30 -0.87 0.00 0.00 176.83 177.77 3ix3 n ILE 92 N -3.24 0.35 -3.27 0.95 -5.35 -0.49 -4.42 119.36 103.89 3ix3 n ILE 92 Ca -0.02 -0.23 -0.37 0.00 -0.27 0.00 0.00 62.75 61.85 3ix3 n ILE 92 Cb 0.14 -0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 37.79 3ix3 n ILE 92 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ix3 n TYR 93 N -2.04 3.28 -0.10 4.28 4.02 -0.38 -4.73 117.16 121.50 3ix3 n TYR 93 Ca 0.04 -3.43 -0.19 0.00 -0.01 0.00 0.00 57.90 54.31 3ix3 n TYR 93 Cb 0.42 -1.08 -0.11 0.00 -0.02 0.00 0.00 39.34 38.55 3ix3 n TYR 93 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3ix3 h GLN 94 N 5.30 0.00 -7.45 -0.72 4.20 -1.77 -3.37 115.11 111.31 3ix3 h GLN 94 Ca 0.19 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.41 3ix3 h GLN 94 Cb 0.69 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.56 3ix3 h GLN 94 CO 1.08 0.93 0.38 0.95 -0.67 0.00 0.00 178.83 181.49 3ix3 s THR 95 N -2.32 3.25 0.20 -0.54 -4.23 -1.26 -4.80 115.64 105.95 3ix3 s THR 95 Ca -0.26 0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 3ix3 s THR 95 Cb 0.04 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.74 3ix3 s THR 95 CO 0.58 -0.53 1.77 0.03 -0.54 0.00 0.00 174.62 175.93 3ix3 h ARG 96 N -0.88 0.51 -0.36 3.99 -0.00 -1.99 0.76 114.38 116.42 3ix3 h ARG 96 Ca -0.46 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 58.89 3ix3 h ARG 96 Cb 1.26 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 31.10 3ix3 h ARG 96 CO 0.62 0.34 -0.19 0.87 0.00 0.00 0.00 179.97 181.61 3ix3 h LYS 97 N 0.53 0.67 -0.19 0.04 1.79 -1.98 0.23 116.57 117.66 3ix3 h LYS 97 Ca 0.29 -0.25 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 3ix3 h LYS 97 Cb 0.28 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3ix3 h LYS 97 CO -0.24 0.82 -0.46 1.96 -1.08 0.00 0.00 179.45 180.45 3ix3 h GLN 98 N 0.60 0.49 -0.45 3.15 4.20 -1.72 -0.88 115.11 120.50 3ix3 h GLN 98 Ca 0.09 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 3ix3 h GLN 98 Cb 0.65 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3ix3 h GLN 98 CO 0.05 0.85 0.00 1.25 -0.67 0.00 0.00 178.83 180.32 3ix3 h HIS 99 N 0.40 0.87 -0.77 2.96 2.76 -0.40 0.32 115.15 121.28 3ix3 h HIS 99 Ca 0.02 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 57.99 3ix3 h HIS 99 Cb 0.96 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 3ix3 h HIS 99 CO 0.03 0.84 0.27 1.49 -1.30 0.00 0.00 177.93 179.26 3ix3 h GLU 100 N 0.64 1.18 -0.32 5.26 4.81 -0.87 -1.18 114.58 124.11 3ix3 h GLU 100 Ca 0.13 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3ix3 h GLU 100 Cb 0.49 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ix3 h GLU 100 CO 0.02 0.98 0.12 0.35 -0.73 0.00 0.00 179.01 179.76 3ix3 h PHE 101 N 1.14 0.22 -0.74 0.92 3.57 -0.86 -1.66 116.94 119.54 3ix3 h PHE 101 Ca 0.25 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.86 3ix3 h PHE 101 Cb 0.28 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 3ix3 h PHE 101 CO 0.02 0.11 0.38 0.35 -2.23 0.00 0.00 178.31 176.94 3ix3 h PHE 102 N 0.27 0.69 -0.56 0.41 3.57 -0.54 0.93 116.94 121.71 3ix3 h PHE 102 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3ix3 h PHE 102 Cb 0.10 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3ix3 h PHE 102 CO -0.13 0.26 0.15 0.93 -2.23 0.00 0.00 178.31 177.30 3ix3 h GLU 103 N 0.65 0.89 -0.41 1.11 5.08 -0.77 0.10 114.58 121.23 3ix3 h GLU 103 Ca 0.36 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3ix3 h GLU 103 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ix3 h GLU 103 CO -0.26 0.82 -0.24 0.93 -1.00 0.00 0.00 179.01 179.26 3ix3 h GLU 104 N 0.80 0.89 -0.65 2.33 5.08 -0.81 -1.90 114.58 120.31 3ix3 h GLU 104 Ca 0.18 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3ix3 h GLU 104 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3ix3 h GLU 104 CO -0.00 1.06 0.25 0.00 -1.00 0.00 0.00 179.01 179.32 3ix3 h ALA 105 N 0.81 1.22 -0.59 3.43 0.00 -0.64 -1.96 119.26 121.53 3ix3 h ALA 105 Ca 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ix3 h ALA 105 Cb 0.82 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3ix3 h ALA 105 CO 0.07 0.57 0.26 0.77 0.00 0.00 0.00 179.25 180.92 3ix3 h SER 106 N 0.94 0.80 0.11 0.00 0.02 -0.76 -0.74 113.55 113.92 3ix3 h SER 106 Ca 0.22 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3ix3 h SER 106 Cb 0.19 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3ix3 h SER 106 CO -0.02 0.73 -0.12 0.00 -1.14 0.00 0.00 176.83 176.28 3ix3 h ALA 107 N 1.10 1.76 0.00 3.77 0.00 -0.90 -0.31 119.26 124.69 3ix3 h ALA 107 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ix3 h ALA 107 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ix3 h ALA 107 CO -0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3ix3 n ALA 108 N -2.51 2.65 -0.40 0.00 0.00 -0.68 -4.90 120.51 114.67 3ix3 n ALA 108 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ix3 n ALA 108 Cb 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3ix3 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix3 n GLY 109 N 0.96 0.78 3.10 0.00 0.00 -0.13 -4.79 105.19 105.11 3ix3 n GLY 109 Ca 0.23 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3ix3 n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ix3 s LEU 110 N 0.00 5.27 -0.06 0.99 1.43 -0.37 -4.83 118.68 121.11 3ix3 s LEU 110 Ca 0.00 -2.94 -0.09 0.00 -1.03 0.00 0.00 54.13 50.07 3ix3 s LEU 110 Cb 0.00 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3ix3 s LEU 110 CO 0.00 -0.35 -0.18 0.52 0.23 0.00 0.00 176.35 176.57 3ix3 n VAL 111 N 3.37 1.30 -4.19 -1.59 0.31 -1.26 -3.07 118.33 113.20 3ix3 n VAL 111 Ca 0.09 0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 64.28 3ix3 n VAL 111 Cb 0.38 -1.95 -0.09 0.00 -0.91 0.00 0.00 33.84 31.27 3ix3 n VAL 111 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ix3 s TYR 112 N -2.44 3.28 -1.87 3.52 4.12 -1.26 -4.92 117.35 117.78 3ix3 s TYR 112 Ca -0.16 0.24 0.00 0.00 0.02 0.00 0.00 57.07 57.18 3ix3 s TYR 112 Cb 0.03 -1.88 0.00 0.00 -1.52 0.00 0.00 41.96 38.59 3ix3 s TYR 112 CO 0.23 0.47 0.00 0.41 0.02 0.00 0.00 175.55 176.68 3ix3 n GLY 113 N 2.36 -1.14 3.33 0.71 0.00 -1.26 -1.29 105.19 107.90 3ix3 n GLY 113 Ca -0.19 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 3ix3 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix3 s LEU 114 N 0.00 0.64 -0.08 0.99 2.34 -0.56 -1.34 118.68 120.67 3ix3 s LEU 114 Ca 0.00 -0.49 0.02 0.00 0.06 0.00 0.00 54.13 53.72 3ix3 s LEU 114 Cb 0.00 1.63 0.01 0.00 -0.56 0.00 0.00 46.19 47.27 3ix3 s LEU 114 CO 0.00 -0.87 -0.13 -0.89 -1.06 0.00 0.00 176.35 173.40 3ix3 s THR 115 N -3.85 1.23 -0.34 5.48 2.01 -0.21 -1.43 115.64 118.53 3ix3 s THR 115 Ca 0.06 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.41 3ix3 s THR 115 Cb 0.02 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3ix3 s THR 115 CO -0.09 0.38 0.23 -0.04 -0.69 0.00 0.00 174.62 174.42 3ix3 s MET 116 N 0.75 3.42 0.68 4.92 1.00 0.46 -1.14 119.30 129.39 3ix3 s MET 116 Ca -0.13 -0.70 -0.17 0.00 0.00 0.00 0.00 55.69 54.70 3ix3 s MET 116 Cb -0.16 -3.79 0.01 0.00 0.00 0.00 0.00 34.83 30.90 3ix3 s MET 116 CO 0.03 -0.47 1.23 -2.14 0.00 0.00 0.00 175.02 173.67 3ix3 s PRO 117 N 1.70 2.41 -0.08 2.03 0.02 -1.26 -0.69 135.00 139.12 3ix3 s PRO 117 Ca 0.06 1.86 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3ix3 s PRO 117 Cb -0.18 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.50 3ix3 s PRO 117 CO 0.10 -1.65 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.44 3ix3 s LEU 118 N -4.73 1.78 -0.23 -5.54 1.43 0.06 -4.82 118.68 106.63 3ix3 s LEU 118 Ca 0.77 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3ix3 s LEU 118 Cb -0.32 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 44.95 3ix3 s LEU 118 CO 0.41 0.07 0.08 -1.00 0.23 0.00 0.00 176.35 176.14 3ix3 s HIS 119 N 0.60 0.80 0.65 0.29 3.76 -1.26 -0.61 115.29 119.53 3ix3 s HIS 119 Ca -0.15 -0.89 -0.05 0.00 -0.15 0.00 0.00 55.06 53.82 3ix3 s HIS 119 Cb -0.16 -1.04 0.05 0.00 1.11 0.00 0.00 32.58 32.53 3ix3 s HIS 119 CO 0.05 -0.69 0.94 0.20 -0.85 0.00 0.00 174.74 174.39 3ix3 s GLY 120 N 1.93 1.71 0.38 -2.22 0.00 -0.19 -4.92 107.32 104.01 3ix3 s GLY 120 Ca 0.04 -0.99 0.28 0.00 0.00 0.00 0.00 44.72 44.04 3ix3 s GLY 120 CO -0.18 -0.64 1.83 0.00 0.00 0.00 0.00 173.10 174.12 3ix3 h ALA 121 N -0.37 1.00 -0.41 3.20 0.00 -1.97 -1.83 119.26 118.88 3ix3 h ALA 121 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3ix3 h ALA 121 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3ix3 h ALA 121 CO 0.58 0.00 0.05 0.54 0.00 0.00 0.00 179.25 180.42 3ix3 n ARG 122 N -2.55 3.11 -0.79 0.00 1.74 -1.26 -4.94 116.66 111.98 3ix3 n ARG 122 Ca 0.01 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 3ix3 n ARG 122 Cb 0.21 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3ix3 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ix3 n GLY 123 N -0.43 0.62 3.76 -0.13 0.00 -0.69 -4.35 105.19 103.98 3ix3 n GLY 123 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3ix3 n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ix3 s GLU 124 N -0.21 3.47 -0.10 1.61 8.01 -1.25 -3.48 118.70 126.76 3ix3 s GLU 124 Ca 0.00 2.38 0.03 0.00 0.01 0.00 0.00 54.97 57.40 3ix3 s GLU 124 Cb 0.00 -2.51 0.00 0.00 -4.31 0.00 0.00 34.13 27.31 3ix3 s GLU 124 CO 0.00 -0.97 -0.21 -1.17 0.01 0.00 0.00 175.26 172.92 3ix3 s LEU 125 N -3.02 1.97 0.00 1.80 2.96 -0.30 -1.02 118.68 121.06 3ix3 s LEU 125 Ca 0.65 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3ix3 s LEU 125 Cb -0.43 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3ix3 s LEU 125 CO 0.54 0.11 0.01 0.61 -1.32 0.00 0.00 176.35 176.31 3ix3 n GLY 126 N 3.68 2.08 3.13 7.98 0.00 0.22 -0.17 105.19 122.12 3ix3 n GLY 126 Ca -0.20 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3ix3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix3 s ALA 127 N -1.07 -0.65 -0.28 4.61 0.00 -0.28 -0.76 121.76 123.33 3ix3 s ALA 127 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 3ix3 s ALA 127 Cb -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.67 3ix3 s ALA 127 CO 0.00 -0.15 -0.03 -1.17 0.00 0.00 0.00 175.76 174.41 3ix3 s LEU 128 N 0.46 3.70 -0.05 0.00 2.96 0.13 -0.94 118.68 124.94 3ix3 s LEU 128 Ca -0.03 -1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 52.63 3ix3 s LEU 128 Cb -0.04 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3ix3 s LEU 128 CO -0.02 -0.23 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.34 3ix3 s SER 129 N 1.23 5.15 -0.02 3.68 0.01 0.48 -0.41 113.70 123.82 3ix3 s SER 129 Ca -0.05 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.30 3ix3 s SER 129 Cb -0.19 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.64 3ix3 s SER 129 CO -0.02 0.34 -0.07 -0.76 0.41 0.00 0.00 173.24 173.14 3ix3 s LEU 130 N -1.13 1.82 -0.03 2.44 1.02 -0.51 -1.40 118.68 120.89 3ix3 s LEU 130 Ca 0.16 -0.14 0.07 0.00 0.02 0.00 0.00 54.13 54.24 3ix3 s LEU 130 Cb -0.11 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.66 3ix3 s LEU 130 CO 0.05 0.05 -0.24 -0.55 0.02 0.00 0.00 176.35 175.69 3ix3 s SER 131 N 0.13 3.24 -0.10 2.29 0.15 -0.20 -1.50 113.70 117.72 3ix3 s SER 131 Ca -0.01 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3ix3 s SER 131 Cb -0.06 -0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 63.75 3ix3 s SER 131 CO -0.00 0.32 -0.21 0.54 1.20 0.00 0.00 173.24 175.08 3ix3 s VAL 132 N -0.58 2.33 -1.34 4.45 0.11 -0.41 -2.55 120.40 122.41 3ix3 s VAL 132 Ca 0.09 -0.93 -0.08 0.00 -2.93 0.00 0.00 61.98 58.13 3ix3 s VAL 132 Cb -0.11 -1.91 0.11 0.00 -1.53 0.00 0.00 36.38 32.95 3ix3 s VAL 132 CO -0.00 0.55 2.26 -0.62 -3.33 0.00 0.00 175.10 173.96 3ix3 n GLU 133 N 3.40 4.10 -1.91 1.54 1.02 -1.26 -4.33 120.64 123.19 3ix3 n GLU 133 Ca -0.18 -3.33 -0.31 0.00 -0.02 0.00 0.00 57.16 53.32 3ix3 n GLU 133 Cb 0.53 -2.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.19 3ix3 n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ix3 s ALA 134 N -0.13 3.07 0.30 0.62 0.00 -1.26 -4.99 121.76 119.37 3ix3 s ALA 134 Ca 0.50 -0.18 0.19 0.00 0.00 0.00 0.00 51.96 52.48 3ix3 s ALA 134 Cb 0.15 -3.04 0.90 0.00 0.00 0.00 0.00 23.12 21.13 3ix3 s ALA 134 CO -0.06 -0.79 1.86 0.93 0.00 0.00 0.00 175.76 177.70 3ix3 h GLU 135 N -0.38 0.00 -3.12 0.00 4.39 -1.96 -3.47 114.58 110.05 3ix3 h GLU 135 Ca -0.44 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.28 3ix3 h GLU 135 Cb 1.21 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 3ix3 h GLU 135 CO 0.62 0.30 0.16 0.54 -1.16 0.00 0.00 179.01 179.47 3ix3 s ASN 136 N -6.53 -0.29 0.20 1.42 2.20 -1.26 -5.06 114.94 105.62 3ix3 s ASN 136 Ca -0.02 -0.52 -0.09 0.00 -0.94 0.00 0.00 52.86 51.30 3ix3 s ASN 136 Cb 0.13 0.67 0.14 0.00 -2.00 0.00 0.00 41.25 40.19 3ix3 s ASN 136 CO 0.67 -1.21 1.77 -0.09 -2.94 0.00 0.00 177.10 175.30 3ix3 h ARG 137 N 2.06 1.13 -0.64 3.55 2.43 -1.99 -1.35 114.38 119.56 3ix3 h ARG 137 Ca -0.24 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3ix3 h ARG 137 Cb 1.26 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3ix3 h ARG 137 CO 0.29 0.91 0.40 0.00 -1.51 0.00 0.00 179.97 180.06 3ix3 h ALA 138 N 1.16 0.82 -0.24 2.80 0.00 -1.99 -0.58 119.26 121.22 3ix3 h ALA 138 Ca 0.25 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3ix3 h ALA 138 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ix3 h ALA 138 CO -0.02 0.28 -0.58 1.49 0.00 0.00 0.00 179.25 180.42 3ix3 h GLU 139 N 0.87 0.77 -0.55 0.00 4.57 -1.95 -0.68 114.58 117.61 3ix3 h GLU 139 Ca 0.23 -0.50 0.09 0.00 -1.18 0.00 0.00 59.36 58.00 3ix3 h GLU 139 Cb -0.05 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 3ix3 h GLU 139 CO -0.05 1.13 0.16 0.00 -1.18 0.00 0.00 179.01 179.07 3ix3 h ALA 140 N 0.76 0.66 -0.42 2.92 0.00 -0.70 0.66 119.26 123.15 3ix3 h ALA 140 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3ix3 h ALA 140 Cb 1.17 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3ix3 h ALA 140 CO 0.12 -0.25 -0.28 -0.91 0.00 0.00 0.00 179.25 177.93 3ix3 h ASN 141 N 0.31 0.97 -0.59 0.00 -0.26 -0.95 -0.26 115.58 114.80 3ix3 h ASN 141 Ca 0.28 -0.43 -0.03 0.00 -0.56 0.00 0.00 56.30 55.56 3ix3 h ASN 141 Cb 0.35 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 3ix3 h ASN 141 CO -0.32 1.19 0.26 -0.09 -1.06 0.00 0.00 177.43 177.41 3ix3 h ARG 142 N 0.76 0.87 -0.07 0.81 2.43 -0.69 -0.20 114.38 118.27 3ix3 h ARG 142 Ca 0.08 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ix3 h ARG 142 Cb 0.86 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3ix3 h ARG 142 CO 0.08 0.72 0.03 0.35 -1.51 0.00 0.00 179.97 179.64 3ix3 h PHE 143 N 0.81 0.11 -0.63 2.20 3.57 -0.74 -1.67 116.94 120.59 3ix3 h PHE 143 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3ix3 h PHE 143 Cb 0.16 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3ix3 h PHE 143 CO 0.00 0.23 0.34 0.52 -2.23 0.00 0.00 178.31 177.18 3ix3 h MET 144 N -0.04 0.88 -0.84 1.11 2.86 -0.86 -2.26 114.93 115.78 3ix3 h MET 144 Ca 0.02 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3ix3 h MET 144 Cb 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 3ix3 h MET 144 CO -0.00 0.67 0.55 0.93 1.06 0.00 0.00 176.91 180.12 3ix3 h GLU 145 N 0.86 1.02 0.00 1.72 4.39 -0.90 -0.53 114.58 121.13 3ix3 h GLU 145 Ca 0.22 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3ix3 h GLU 145 Cb 0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3ix3 h GLU 145 CO -0.04 0.67 -0.35 0.66 -1.16 0.00 0.00 179.01 178.79 3ix3 h SER 146 N 1.05 0.00 -0.15 1.42 4.64 -0.73 -2.92 113.55 116.87 3ix3 h SER 146 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3ix3 h SER 146 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ix3 h SER 146 CO -0.10 0.35 0.00 1.33 -0.87 0.00 0.00 176.83 177.55 3ix3 n VAL 147 N -4.03 0.28 -0.26 0.95 0.24 -1.01 -4.72 118.33 109.79 3ix3 n VAL 147 Ca -0.02 -0.64 0.03 0.00 -2.04 0.00 0.00 64.34 61.67 3ix3 n VAL 147 Cb 0.40 1.08 0.16 0.00 -1.47 0.00 0.00 33.84 34.01 3ix3 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix3 h LEU 148 N 2.86 0.45 -1.07 1.34 5.85 -0.90 -1.36 115.31 122.49 3ix3 h LEU 148 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3ix3 h LEU 148 Cb 0.67 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3ix3 h LEU 148 CO 0.00 0.23 0.55 -0.65 -0.34 0.00 0.00 178.44 178.23 3ix3 h PRO 149 N 0.59 1.18 -0.43 5.25 0.11 -1.84 0.10 132.00 136.95 3ix3 h PRO 149 Ca 0.39 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3ix3 h PRO 149 Cb 0.47 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3ix3 h PRO 149 CO -0.31 0.81 0.19 1.15 -0.21 0.00 0.00 178.00 179.63 3ix3 h THR 150 N 1.20 1.19 -0.70 -1.15 2.02 -1.64 -2.45 112.91 111.38 3ix3 h THR 150 Ca 0.32 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3ix3 h THR 150 Cb -0.08 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3ix3 h THR 150 CO -0.06 0.21 0.41 -0.07 0.37 0.00 0.00 175.52 176.38 3ix3 h LEU 151 N 0.56 0.85 -0.64 2.58 3.38 -0.70 -0.20 115.31 121.13 3ix3 h LEU 151 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3ix3 h LEU 151 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ix3 h LEU 151 CO -0.02 0.66 0.14 -0.25 0.09 0.00 0.00 178.44 179.07 3ix3 h TRP 152 N 0.97 1.09 -0.32 1.13 2.91 -0.57 -0.40 115.95 120.76 3ix3 h TRP 152 Ca 0.25 -0.13 -0.07 0.00 1.13 0.00 0.00 58.89 60.07 3ix3 h TRP 152 Cb -0.02 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.32 3ix3 h TRP 152 CO 0.00 0.91 -0.06 0.52 -1.03 0.00 0.00 178.44 178.78 3ix3 h MET 153 N 0.95 0.61 -0.71 2.65 2.86 -1.16 -3.26 114.93 116.86 3ix3 h MET 153 Ca 0.20 -0.23 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3ix3 h MET 153 Cb 0.38 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 3ix3 h MET 153 CO 0.00 0.78 0.39 1.25 1.06 0.00 0.00 176.91 180.40 3ix3 h LEU 154 N 0.39 0.56 -1.32 1.22 5.85 -0.59 -2.00 115.31 119.42 3ix3 h LEU 154 Ca 0.08 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3ix3 h LEU 154 Cb 0.55 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3ix3 h LEU 154 CO 0.03 0.35 0.17 0.07 -0.34 0.00 0.00 178.44 178.72 3ix3 h LYS 155 N 0.70 0.63 -0.12 1.25 5.09 -1.13 0.12 116.57 123.11 3ix3 h LYS 155 Ca 0.33 -0.09 -0.22 0.00 0.09 0.00 0.00 60.65 60.76 3ix3 h LYS 155 Cb 0.26 -0.12 0.01 0.00 0.10 0.00 0.00 32.23 32.48 3ix3 h LYS 155 CO -0.21 0.53 -0.81 -0.44 -2.09 0.00 0.00 179.45 176.43 3ix3 h ASP 156 N 0.63 0.87 -0.65 7.07 3.32 -1.46 -0.45 116.42 125.75 3ix3 h ASP 156 Ca 0.15 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3ix3 h ASP 156 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3ix3 h ASP 156 CO -0.01 1.38 0.27 1.88 -1.72 0.00 0.00 179.24 181.04 3ix3 h TYR 157 N 0.48 0.97 -0.55 4.55 -1.99 -0.93 -0.97 116.97 118.54 3ix3 h TYR 157 Ca -0.06 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.54 3ix3 h TYR 157 Cb 1.43 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 39.85 3ix3 h TYR 157 CO 0.08 0.76 0.09 0.00 -0.00 0.00 0.00 178.16 179.09 3ix3 h ALA 158 N 1.12 0.73 -0.00 3.88 0.00 -0.73 -2.17 119.26 122.08 3ix3 h ALA 158 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ix3 h ALA 158 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ix3 h ALA 158 CO -0.02 0.47 -0.08 1.25 0.00 0.00 0.00 179.25 180.87 3ix3 h LEU 159 N 0.80 -0.23 -0.59 0.00 5.85 -0.87 0.32 115.31 120.59 3ix3 h LEU 159 Ca 0.17 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3ix3 h LEU 159 Cb 0.41 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3ix3 h LEU 159 CO 0.01 -0.12 0.06 -0.61 -0.34 0.00 0.00 178.44 177.44 3ix3 h GLN 160 N -0.14 1.00 -0.06 1.25 5.75 -1.05 0.19 115.11 122.05 3ix3 h GLN 160 Ca 0.03 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.16 3ix3 h GLN 160 Cb 0.18 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3ix3 h GLN 160 CO -0.08 0.97 -0.27 1.03 -2.65 0.00 0.00 178.83 177.83 3ix3 h SER 161 N 0.90 0.33 -0.33 -0.69 0.87 -1.40 -3.25 113.55 110.00 3ix3 h SER 161 Ca 0.17 -0.65 -0.06 0.00 -1.23 0.00 0.00 61.79 60.03 3ix3 h SER 161 Cb 0.48 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3ix3 h SER 161 CO 0.02 0.93 0.02 1.23 -0.53 0.00 0.00 176.83 178.50 3ix3 h GLY 162 N -0.24 0.71 1.37 5.77 0.00 -0.23 -2.23 103.07 108.24 3ix3 h GLY 162 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3ix3 h GLY 162 CO 0.06 0.41 0.36 0.00 0.00 0.00 0.00 176.54 177.36 3ix3 h ALA 163 N 1.40 1.48 -0.41 3.60 0.00 -1.04 0.14 119.26 124.43 3ix3 h ALA 163 Ca 0.13 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ix3 h ALA 163 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ix3 h ALA 163 CO 0.01 0.45 -0.22 0.78 0.00 0.00 0.00 179.25 180.27 3ix3 h GLY 164 N 0.89 0.88 1.29 0.00 0.00 -1.44 -1.95 103.07 102.73 3ix3 h GLY 164 Ca 0.22 -0.76 -0.25 0.00 0.00 0.00 0.00 47.33 46.55 3ix3 h GLY 164 CO -0.04 0.69 -0.95 -2.00 0.00 0.00 0.00 176.54 174.24 3ix3 h LEU 165 N 0.71 0.83 -0.24 3.11 5.85 -0.96 -1.15 115.31 123.47 3ix3 h LEU 165 Ca 0.10 -0.63 -0.17 0.00 0.84 0.00 0.00 57.88 58.01 3ix3 h LEU 165 Cb 0.74 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3ix3 h LEU 165 CO 0.06 1.43 -0.53 0.00 -0.34 0.00 0.00 178.44 179.07 3ix3 h ALA 166 N 0.52 0.38 0.00 1.25 0.00 -0.74 -3.40 119.26 117.27 3ix3 h ALA 166 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ix3 h ALA 166 Cb 1.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3ix3 h ALA 166 CO 0.18 0.58 0.00 1.19 0.00 0.00 0.00 179.25 181.20 3ix3 n PHE 167 N -4.09 0.00 -3.78 0.00 0.99 -0.73 -5.05 117.46 104.80 3ix3 n PHE 167 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.05 3ix3 n PHE 167 Cb 0.61 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 39.04 3ix3 n PHE 167 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3ix3 s GLU 168 N -0.48 3.56 0.00 -1.08 2.02 -0.43 -5.03 118.70 117.26 3ix3 s GLU 168 Ca 0.00 -0.09 0.27 0.00 0.02 0.00 0.00 54.97 55.17 3ix3 s GLU 168 Cb 0.00 -3.09 0.87 0.00 0.10 0.00 0.00 34.13 32.00 3ix3 s GLU 168 CO 0.00 0.66 1.64 1.58 0.02 0.00 0.00 175.26 179.17