#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd3 h GLU 22 N 0.00 0.21 -0.52 2.61 4.81 -1.99 0.70 114.58 120.40 1bd3 h GLU 22 Ca 0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1bd3 h GLU 22 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1bd3 h GLU 22 CO 0.00 0.14 0.07 1.49 -0.73 0.00 0.00 179.01 179.97 1bd3 h GLU 23 N 0.21 0.84 0.97 1.92 4.22 -2.00 -1.15 114.58 119.60 1bd3 h GLU 23 Ca 0.65 -0.20 -0.05 0.00 0.08 0.00 0.00 59.36 59.84 1bd3 h GLU 23 Cb 1.43 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1bd3 h GLU 23 CO -0.67 0.80 -0.49 0.77 -2.18 0.00 0.00 179.01 177.24 1bd3 h SER 24 N 0.79 -1.17 -0.36 1.04 0.02 -1.32 -2.17 113.55 110.38 1bd3 h SER 24 Ca 0.16 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1bd3 h SER 24 Cb 0.38 0.31 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1bd3 h SER 24 CO 0.01 -0.81 -0.35 0.40 -1.14 0.00 0.00 176.83 174.94 1bd3 h ILE 25 N -1.33 0.00 -1.03 3.27 2.04 -1.19 0.18 117.51 119.46 1bd3 h ILE 25 Ca -0.13 0.00 0.27 0.00 1.00 0.00 0.00 64.86 65.99 1bd3 h ILE 25 Cb 1.03 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.99 1bd3 h ILE 25 CO 0.20 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.91 1bd3 h LEU 26 N -0.17 0.58 -0.43 1.44 -0.00 -1.22 0.42 115.31 115.93 1bd3 h LEU 26 Ca 0.06 0.13 -0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1bd3 h LEU 26 Cb 0.33 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1bd3 h LEU 26 CO -0.43 0.07 -0.08 -0.61 -0.00 0.00 0.00 178.44 177.39 1bd3 h GLN 27 N 0.48 0.81 0.42 1.13 5.75 -0.33 -1.20 115.11 122.17 1bd3 h GLN 27 Ca 0.65 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1bd3 h GLN 27 Cb 1.40 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.91 1bd3 h GLN 27 CO -0.43 0.92 -0.20 0.22 -2.65 0.00 0.00 178.83 176.68 1bd3 h ASP 28 N 0.64 -0.48 -0.01 -0.69 3.58 0.33 -0.45 116.42 119.33 1bd3 h ASP 28 Ca 0.11 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.59 1bd3 h ASP 28 Cb 0.60 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 1bd3 h ASP 28 CO 0.04 -0.31 -0.20 0.40 -2.88 0.00 0.00 179.24 176.28 1bd3 h ILE 29 N -0.60 0.52 -0.92 2.25 1.08 -1.43 0.87 117.51 119.27 1bd3 h ILE 29 Ca -0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 1bd3 h ILE 29 Cb 0.45 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 1bd3 h ILE 29 CO 0.09 0.00 0.56 0.40 -0.69 0.00 0.00 178.15 178.52 1bd3 h ILE 30 N -0.32 0.96 -0.10 -0.67 2.04 -1.15 0.53 117.51 118.80 1bd3 h ILE 30 Ca 0.06 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1bd3 h ILE 30 Cb 0.40 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1bd3 h ILE 30 CO -0.20 0.17 -0.19 0.74 0.00 0.00 0.00 178.15 178.68 1bd3 h THR 31 N 0.95 1.39 0.00 -0.27 2.02 -0.02 -3.31 112.91 113.67 1bd3 h THR 31 Ca 0.43 -1.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.01 1bd3 h THR 31 Cb 0.35 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1bd3 h THR 31 CO -0.23 0.42 -0.64 -0.09 0.37 0.00 0.00 175.52 175.35 1bd3 h ARG 32 N -0.15 0.00 -3.24 6.66 2.43 0.11 -3.40 114.38 116.80 1bd3 h ARG 32 Ca 0.00 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.54 1bd3 h ARG 32 Cb 0.77 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.90 1bd3 h ARG 32 CO 0.04 0.64 -0.61 -0.06 -1.51 0.00 0.00 179.97 178.48 1bd3 s PHE 33 N -3.08 3.34 0.54 2.20 0.08 0.18 -4.94 117.98 116.31 1bd3 s PHE 33 Ca 0.02 -3.24 0.30 0.00 0.12 0.00 0.00 56.93 54.13 1bd3 s PHE 33 Cb 0.09 -2.75 1.66 0.00 -0.57 0.00 0.00 43.02 41.45 1bd3 s PHE 33 CO 0.76 -0.65 1.92 -1.00 -0.10 0.00 0.00 175.22 176.15 1bd3 h PRO 34 N 5.99 0.00 -0.52 0.24 0.13 -1.79 -2.16 132.00 133.89 1bd3 h PRO 34 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1bd3 h PRO 34 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1bd3 h PRO 34 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1bd3 n ASN 35 N -2.79 2.83 -4.80 1.44 4.13 -1.26 -4.89 115.26 109.92 1bd3 n ASN 35 Ca -0.02 -2.08 -0.35 0.00 1.68 0.00 0.00 54.58 53.80 1bd3 n ASN 35 Cb 0.29 -0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1bd3 n ASN 35 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1bd3 s VAL 36 N -1.46 4.95 -0.19 2.41 0.11 -0.81 -1.69 120.40 123.72 1bd3 s VAL 36 Ca 0.33 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 1bd3 s VAL 36 Cb 0.18 -3.17 0.04 0.00 -1.53 0.00 0.00 36.38 31.90 1bd3 s VAL 36 CO 0.21 0.53 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.69 1bd3 s VAL 37 N -1.05 1.75 -0.08 2.04 1.01 0.10 -4.97 120.40 119.20 1bd3 s VAL 37 Ca 0.17 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1bd3 s VAL 37 Cb -0.12 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1bd3 s VAL 37 CO 0.07 0.28 0.30 -0.22 0.00 0.00 0.00 175.10 175.53 1bd3 s LEU 38 N 1.37 4.38 0.64 3.92 2.96 -1.26 -0.80 118.68 129.90 1bd3 s LEU 38 Ca 0.01 0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 1bd3 s LEU 38 Cb -0.15 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1bd3 s LEU 38 CO -0.09 0.28 1.10 -0.04 -1.32 0.00 0.00 176.35 176.28 1bd3 s MET 39 N -0.59 2.91 0.15 1.98 -1.94 -0.39 -4.90 119.30 116.52 1bd3 s MET 39 Ca 0.19 1.36 -0.31 0.00 -1.71 0.00 0.00 55.69 55.22 1bd3 s MET 39 Cb -0.14 -1.97 -0.11 0.00 2.01 0.00 0.00 34.83 34.62 1bd3 s MET 39 CO 0.08 -1.16 1.74 0.21 -0.01 0.00 0.00 175.02 175.88 1bd3 s LYS 40 N -4.07 4.15 -1.36 2.03 2.20 -1.26 -4.84 119.74 116.59 1bd3 s LYS 40 Ca 0.66 2.55 -0.17 0.00 -0.36 0.00 0.00 55.97 58.66 1bd3 s LYS 40 Cb -0.20 -3.35 0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1bd3 s LYS 40 CO 0.40 -0.77 1.92 1.04 -0.36 0.00 0.00 175.35 177.58 1bd3 n GLN 41 N 4.84 3.07 -2.09 4.03 1.13 -1.26 -4.89 117.38 122.22 1bd3 n GLN 41 Ca 0.16 -3.03 -0.28 0.00 -1.94 0.00 0.00 57.00 51.92 1bd3 n GLN 41 Cb 0.37 -3.42 0.07 0.00 0.11 0.00 0.00 30.24 27.37 1bd3 n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1bd3 s THR 42 N 3.84 2.59 0.31 5.09 -4.23 -1.26 -4.89 115.64 117.08 1bd3 s THR 42 Ca 0.51 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1bd3 s THR 42 Cb 0.08 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1bd3 s THR 42 CO 0.02 -0.17 1.78 0.00 -0.54 0.00 0.00 174.62 175.71 1bd3 h ALA 43 N -0.68 1.22 -0.34 3.99 0.00 -1.99 -0.86 119.26 120.59 1bd3 h ALA 43 Ca -0.45 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 1bd3 h ALA 43 Cb 1.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1bd3 h ALA 43 CO 0.63 0.51 -0.16 1.96 0.00 0.00 0.00 179.25 182.18 1bd3 h GLN 44 N 0.40 0.72 -0.20 0.00 1.08 -1.98 0.16 115.11 115.29 1bd3 h GLN 44 Ca 0.07 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1bd3 h GLN 44 Cb 0.56 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1bd3 h GLN 44 CO 0.04 0.92 0.09 1.25 -0.95 0.00 0.00 178.83 180.18 1bd3 h LEU 45 N 0.50 0.13 -0.83 1.46 6.46 -1.81 0.17 115.31 121.39 1bd3 h LEU 45 Ca 0.08 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1bd3 h LEU 45 Cb 0.70 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1bd3 h LEU 45 CO 0.05 0.11 0.55 0.03 -0.62 0.00 0.00 178.44 178.56 1bd3 h ARG 46 N 0.20 1.09 -0.80 1.25 2.47 -0.97 -0.40 114.38 117.22 1bd3 h ARG 46 Ca 0.08 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1bd3 h ARG 46 Cb 0.02 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 28.06 1bd3 h ARG 46 CO -0.06 0.72 0.51 0.00 0.56 0.00 0.00 179.97 181.70 1bd3 h ALA 47 N 1.31 1.01 -0.28 0.04 0.00 0.40 0.23 119.26 121.96 1bd3 h ALA 47 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1bd3 h ALA 47 Cb -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1bd3 h ALA 47 CO -0.07 0.44 0.04 0.52 0.00 0.00 0.00 179.25 180.18 1bd3 h MET 48 N 1.08 0.47 -0.95 0.00 2.86 -0.03 -2.47 114.93 115.90 1bd3 h MET 48 Ca 0.29 -0.13 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 1bd3 h MET 48 Cb -0.10 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.43 1bd3 h MET 48 CO -0.06 0.59 0.59 0.52 1.06 0.00 0.00 176.91 179.61 1bd3 h MET 49 N 0.28 0.98 -0.44 1.72 2.07 -0.53 -0.16 114.93 118.85 1bd3 h MET 49 Ca 0.08 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1bd3 h MET 49 Cb 0.35 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 1bd3 h MET 49 CO 0.01 0.65 0.03 0.00 1.07 0.00 0.00 176.91 178.66 1bd3 h THR 50 N 1.01 1.22 -0.15 2.22 1.03 -0.13 -1.01 112.91 117.10 1bd3 h THR 50 Ca 0.44 -0.88 -0.08 0.00 -0.01 0.00 0.00 66.41 65.88 1bd3 h THR 50 Cb 0.31 0.86 -0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1bd3 h THR 50 CO -0.22 0.31 -0.22 0.40 -0.01 0.00 0.00 175.52 175.78 1bd3 h ILE 51 N 0.66 1.36 -0.07 0.00 2.04 -0.82 -2.40 117.51 118.27 1bd3 h ILE 51 Ca 0.14 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 1bd3 h ILE 51 Cb 0.37 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1bd3 h ILE 51 CO 0.01 0.43 -0.25 0.16 0.00 0.00 0.00 178.15 178.50 1bd3 h ILE 52 N 0.02 1.21 0.00 -0.67 3.07 -0.85 -2.97 117.51 117.32 1bd3 h ILE 52 Ca 0.01 -1.00 -0.13 0.00 1.55 0.00 0.00 64.86 65.29 1bd3 h ILE 52 Cb 0.80 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 38.77 1bd3 h ILE 52 CO 0.05 0.30 -0.72 0.03 -1.05 0.00 0.00 178.15 176.76 1bd3 h ARG 53 N 0.11 0.00 -6.36 0.16 3.08 -1.21 -3.45 114.38 106.72 1bd3 h ARG 53 Ca 0.02 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.49 1bd3 h ARG 53 Cb 0.51 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.59 1bd3 h ARG 53 CO 0.04 0.51 1.09 -3.47 -1.07 0.00 0.00 179.97 177.06 1bd3 n ASP 54 N -3.17 3.64 0.16 7.04 -0.08 -0.91 -4.83 116.55 118.41 1bd3 n ASP 54 Ca -0.00 0.97 0.13 0.00 -1.51 0.00 0.00 54.79 54.38 1bd3 n ASP 54 Cb 0.77 -1.44 0.56 0.00 2.34 0.00 0.00 41.12 43.36 1bd3 n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1bd3 h LYS 55 N 8.98 0.00 -0.01 -0.67 2.10 -1.88 -2.75 116.57 122.33 1bd3 h LYS 55 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1bd3 h LYS 55 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1bd3 h LYS 55 CO 0.94 0.00 -0.29 0.39 -2.00 0.00 0.00 179.45 178.49 1bd3 n GLU 56 N -2.39 0.77 -2.42 0.07 -0.58 -1.26 -4.91 120.64 109.92 1bd3 n GLU 56 Ca 0.01 -0.46 -0.42 0.00 -0.42 0.00 0.00 57.16 55.88 1bd3 n GLU 56 Cb 0.20 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1bd3 n GLU 56 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1bd3 s THR 57 N -2.55 3.87 0.52 2.62 -4.23 -1.04 -5.00 115.64 109.84 1bd3 s THR 57 Ca 0.23 1.43 -0.21 0.00 -1.18 0.00 0.00 61.69 61.96 1bd3 s THR 57 Cb 0.19 -3.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 1bd3 s THR 57 CO 0.54 0.16 1.21 -2.16 -0.54 0.00 0.00 174.62 173.83 1bd3 s PRO 58 N 0.54 3.38 0.32 3.99 0.05 -1.26 -4.76 135.00 137.27 1bd3 s PRO 58 Ca 0.56 1.85 0.10 0.00 0.05 0.00 0.00 61.00 63.57 1bd3 s PRO 58 Cb -0.30 -2.20 0.96 0.00 0.05 0.00 0.00 34.50 33.01 1bd3 s PRO 58 CO 0.32 -0.88 1.65 1.57 0.05 0.00 0.00 177.00 179.71 1bd3 h LYS 59 N 1.52 0.25 -0.29 4.56 2.10 -1.94 -0.53 116.57 122.25 1bd3 h LYS 59 Ca -0.50 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.11 1bd3 h LYS 59 Cb 1.27 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1bd3 h LYS 59 CO 0.58 0.17 0.07 1.05 -2.00 0.00 0.00 179.45 179.31 1bd3 h GLU 60 N 0.26 0.46 -0.52 0.07 9.09 -1.96 -0.87 114.58 121.11 1bd3 h GLU 60 Ca 0.67 -0.11 -0.07 0.00 0.05 0.00 0.00 59.36 59.90 1bd3 h GLU 60 Cb 1.49 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.51 1bd3 h GLU 60 CO -0.64 0.54 0.04 0.93 0.05 0.00 0.00 179.01 179.93 1bd3 h GLU 61 N 0.30 0.90 -0.25 1.06 4.39 -1.64 0.48 114.58 119.82 1bd3 h GLU 61 Ca 0.09 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.57 1bd3 h GLU 61 Cb 0.29 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1bd3 h GLU 61 CO 0.00 0.90 -0.01 0.35 -1.16 0.00 0.00 179.01 179.10 1bd3 h PHE 62 N 0.77 -0.03 -0.35 4.33 3.04 -0.97 -0.73 116.94 123.00 1bd3 h PHE 62 Ca 0.15 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1bd3 h PHE 62 Cb 0.47 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1bd3 h PHE 62 CO 0.04 -0.05 0.17 0.28 -2.02 0.00 0.00 178.31 176.73 1bd3 h VAL 63 N 0.07 1.16 -0.06 1.41 2.07 -0.85 -0.24 116.25 119.81 1bd3 h VAL 63 Ca 0.12 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1bd3 h VAL 63 Cb 0.16 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1bd3 h VAL 63 CO -0.21 0.17 0.04 0.15 0.02 0.00 0.00 177.57 177.74 1bd3 h PHE 64 N 0.43 0.07 -0.30 1.57 3.57 -0.50 -1.35 116.94 120.44 1bd3 h PHE 64 Ca 0.12 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1bd3 h PHE 64 Cb 0.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1bd3 h PHE 64 CO -0.02 0.04 -0.27 1.88 -2.23 0.00 0.00 178.31 177.71 1bd3 h TYR 65 N 0.07 0.68 -0.42 0.41 0.05 -1.11 -1.92 116.97 114.74 1bd3 h TYR 65 Ca 0.02 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1bd3 h TYR 65 Cb -0.01 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1bd3 h TYR 65 CO -0.08 0.81 0.07 0.00 -1.05 0.00 0.00 178.16 177.92 1bd3 h ALA 66 N 1.18 0.56 -0.62 3.88 0.00 -0.90 -1.15 119.26 122.20 1bd3 h ALA 66 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bd3 h ALA 66 Cb 0.74 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1bd3 h ALA 66 CO 0.06 0.27 0.38 -0.44 0.00 0.00 0.00 179.25 179.52 1bd3 h ASP 67 N 0.55 0.74 -0.56 0.00 3.32 -1.11 0.30 116.42 119.66 1bd3 h ASP 67 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1bd3 h ASP 67 Cb 0.36 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1bd3 h ASP 67 CO 0.01 0.57 0.36 -0.09 -1.72 0.00 0.00 179.24 178.38 1bd3 h ARG 68 N 0.84 0.74 -0.32 3.56 2.43 -1.05 0.12 114.38 120.71 1bd3 h ARG 68 Ca 0.22 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1bd3 h ARG 68 Cb -0.04 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1bd3 h ARG 68 CO -0.04 0.50 -0.33 1.25 -1.51 0.00 0.00 179.97 179.83 1bd3 h LEU 69 N 0.76 0.84 -1.34 3.80 6.46 -0.85 -2.66 115.31 122.32 1bd3 h LEU 69 Ca 0.20 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1bd3 h LEU 69 Cb -0.07 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.59 1bd3 h LEU 69 CO -0.04 1.15 0.29 0.40 -0.62 0.00 0.00 178.44 179.62 1bd3 h ILE 70 N 0.56 1.17 -0.91 4.05 2.04 -0.11 -0.71 117.51 123.60 1bd3 h ILE 70 Ca 0.05 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1bd3 h ILE 70 Cb 0.91 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1bd3 h ILE 70 CO 0.08 0.19 0.55 -0.09 0.00 0.00 0.00 178.15 178.88 1bd3 h ARG 71 N 0.75 1.23 -0.17 2.37 9.65 -0.63 -1.02 114.38 126.57 1bd3 h ARG 71 Ca 0.19 -0.11 -0.15 0.00 -1.10 0.00 0.00 59.98 58.82 1bd3 h ARG 71 Cb 0.02 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 1bd3 h ARG 71 CO -0.03 0.86 -0.51 -0.07 2.80 0.00 0.00 179.97 183.02 1bd3 h LEU 72 N 1.25 0.52 -0.39 3.80 3.38 -1.09 -2.54 115.31 120.25 1bd3 h LEU 72 Ca 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1bd3 h LEU 72 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1bd3 h LEU 72 CO -0.06 0.94 0.09 0.25 0.09 0.00 0.00 178.44 179.74 1bd3 h LEU 73 N 0.37 0.60 -0.90 1.67 5.85 -0.60 -1.70 115.31 120.60 1bd3 h LEU 73 Ca 0.01 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1bd3 h LEU 73 Cb 1.02 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1bd3 h LEU 73 CO 0.09 0.68 0.02 0.40 -0.34 0.00 0.00 178.44 179.29 1bd3 h ILE 74 N 0.49 1.24 -0.68 4.05 1.08 -1.14 -0.38 117.51 122.18 1bd3 h ILE 74 Ca 0.12 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 1bd3 h ILE 74 Cb 0.32 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1bd3 h ILE 74 CO 0.00 0.35 0.35 -0.33 -0.69 0.00 0.00 178.15 177.84 1bd3 h GLU 75 N 0.77 0.96 0.00 2.37 4.39 -1.30 -0.53 114.58 121.24 1bd3 h GLU 75 Ca 0.15 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1bd3 h GLU 75 Cb 0.44 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1bd3 h GLU 75 CO 0.02 0.74 -0.00 1.49 -1.16 0.00 0.00 179.01 180.09 1bd3 h GLU 76 N 0.93 -0.01 -0.92 2.33 4.57 -0.73 -3.00 114.58 117.76 1bd3 h GLU 76 Ca 0.24 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.52 1bd3 h GLU 76 Cb 0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.59 1bd3 h GLU 76 CO -0.03 0.11 0.56 0.00 -1.18 0.00 0.00 179.01 178.46 1bd3 h ALA 77 N 0.88 1.35 -0.15 2.92 0.00 -0.71 -1.05 119.26 122.50 1bd3 h ALA 77 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1bd3 h ALA 77 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bd3 h ALA 77 CO 0.00 0.18 0.33 -0.07 0.00 0.00 0.00 179.25 179.69 1bd3 h LEU 78 N 0.91 0.00 -0.27 0.00 3.38 -0.95 0.38 115.31 118.75 1bd3 h LEU 78 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1bd3 h LEU 78 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bd3 h LEU 78 CO -0.25 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.87 1bd3 n ASN 79 N -3.27 0.30 0.07 -0.43 4.13 -0.40 -2.54 115.26 113.12 1bd3 n ASN 79 Ca 0.01 0.57 0.12 0.00 1.68 0.00 0.00 54.58 56.96 1bd3 n ASN 79 Cb 0.43 -0.63 0.47 0.00 -1.54 0.00 0.00 39.78 38.51 1bd3 n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bd3 n GLU 80 N -1.82 0.14 -2.26 3.52 -0.58 0.13 -4.83 120.64 114.94 1bd3 n GLU 80 Ca 0.03 0.21 -0.32 0.00 -0.42 0.00 0.00 57.16 56.66 1bd3 n GLU 80 Cb 0.22 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.38 1bd3 n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bd3 s LEU 81 N -3.87 3.57 0.37 -4.62 1.43 -1.05 -5.02 118.68 109.49 1bd3 s LEU 81 Ca 0.10 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.59 1bd3 s LEU 81 Cb 0.13 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1bd3 s LEU 81 CO 0.48 -0.81 1.25 -2.84 0.23 0.00 0.00 176.35 174.66 1bd3 s PRO 82 N -4.08 4.15 0.02 1.29 0.02 -1.26 -5.05 135.00 130.10 1bd3 s PRO 82 Ca 0.61 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.69 1bd3 s PRO 82 Cb -0.12 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 1bd3 s PRO 82 CO 0.34 -0.30 -0.04 -0.59 -0.33 0.00 0.00 177.00 176.07 1bd3 s PHE 83 N -1.26 0.35 0.12 6.54 -0.12 -1.26 -4.06 117.98 118.28 1bd3 s PHE 83 Ca 0.54 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 1bd3 s PHE 83 Cb -0.36 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 1bd3 s PHE 83 CO 0.47 -0.14 0.13 -1.14 -0.05 0.00 0.00 175.22 174.48 1bd3 s GLN 84 N -1.34 2.98 0.34 1.99 0.74 0.30 -4.89 119.66 119.77 1bd3 s GLN 84 Ca -0.13 -0.73 -0.25 0.00 0.05 0.00 0.00 55.36 54.30 1bd3 s GLN 84 Cb -0.09 -2.74 -0.10 0.00 1.10 0.00 0.00 33.01 31.18 1bd3 s GLN 84 CO -0.01 0.53 0.94 0.21 -0.55 0.00 0.00 175.29 176.42 1bd3 s LYS 85 N -2.75 4.52 -0.10 1.67 2.36 -1.26 0.13 119.74 124.31 1bd3 s LYS 85 Ca 0.31 1.29 -0.06 0.00 -2.55 0.00 0.00 55.97 54.96 1bd3 s LYS 85 Cb -0.11 -2.70 0.04 0.00 -1.05 0.00 0.00 37.83 34.01 1bd3 s LYS 85 CO 0.24 0.23 0.24 0.21 1.55 0.00 0.00 175.35 177.82 1bd3 s LYS 86 N -2.24 0.23 -0.09 4.03 2.20 0.12 -4.69 119.74 119.31 1bd3 s LYS 86 Ca 0.52 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1bd3 s LYS 86 Cb -0.17 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 1bd3 s LYS 86 CO 0.22 -0.12 -0.11 -2.00 -0.36 0.00 0.00 175.35 172.99 1bd3 s GLU 87 N 0.85 2.92 0.24 4.03 2.12 -1.26 0.24 118.70 127.84 1bd3 s GLU 87 Ca -0.06 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.67 1bd3 s GLU 87 Cb -0.07 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1bd3 s GLU 87 CO -0.05 0.49 0.01 0.14 -0.54 0.00 0.00 175.26 175.31 1bd3 s VAL 88 N -0.37 1.01 -0.17 3.70 -7.23 0.49 -4.94 120.40 112.89 1bd3 s VAL 88 Ca 0.04 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1bd3 s VAL 88 Cb -0.12 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1bd3 s VAL 88 CO 0.02 -0.27 -0.08 0.28 -0.31 0.00 0.00 175.10 174.74 1bd3 s THR 89 N -3.43 3.29 0.95 5.32 -1.32 -1.26 0.62 115.64 119.81 1bd3 s THR 89 Ca 0.30 -0.55 -0.13 0.00 -1.21 0.00 0.00 61.69 60.10 1bd3 s THR 89 Cb 0.06 -2.44 0.16 0.00 -1.51 0.00 0.00 72.50 68.77 1bd3 s THR 89 CO 0.10 0.48 1.14 0.28 -2.21 0.00 0.00 174.62 174.40 1bd3 s THR 90 N 0.82 1.97 -0.19 5.08 -1.32 0.34 -4.88 115.64 117.46 1bd3 s THR 90 Ca -0.03 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.73 1bd3 s THR 90 Cb -0.15 -2.70 0.30 0.00 -1.51 0.00 0.00 72.50 68.44 1bd3 s THR 90 CO 0.01 0.00 1.84 -0.65 -2.21 0.00 0.00 174.62 173.61 1bd3 h PRO 91 N -1.65 0.00 0.00 7.08 0.11 -1.99 -0.02 132.00 135.54 1bd3 h PRO 91 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1bd3 h PRO 91 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1bd3 h PRO 91 CO 0.58 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.65 1bd3 n LEU 92 N -2.56 0.00 -3.05 2.35 4.77 -1.26 -4.84 117.00 112.41 1bd3 n LEU 92 Ca 0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.77 1bd3 n LEU 92 Cb 0.22 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1bd3 n LEU 92 CO 0.21 0.00 0.09 0.47 -1.33 0.00 0.00 177.39 176.82 1bd3 n ASP 93 N -0.61 -5.98 -4.14 -1.43 8.00 -0.02 -5.00 116.55 107.37 1bd3 n ASP 93 Ca 0.05 -0.36 -0.16 0.00 0.71 0.00 0.00 54.79 55.03 1bd3 n ASP 93 Cb 0.02 -4.73 -0.12 0.00 -0.02 0.00 0.00 41.12 36.28 1bd3 n ASP 93 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1bd3 s VAL 94 N -3.20 0.93 0.38 2.53 -7.23 -1.25 -4.92 120.40 107.63 1bd3 s VAL 94 Ca 0.39 -1.26 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1bd3 s VAL 94 Cb -0.17 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1bd3 s VAL 94 CO 0.48 -0.30 1.04 -0.44 -0.31 0.00 0.00 175.10 175.57 1bd3 s SER 95 N -1.75 6.87 -0.04 4.85 0.01 -1.26 -0.51 113.70 121.88 1bd3 s SER 95 Ca -0.04 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.28 1bd3 s SER 95 Cb -0.09 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1bd3 s SER 95 CO 0.02 -0.41 -0.07 -0.47 0.41 0.00 0.00 173.24 172.71 1bd3 s TYR 96 N -1.61 0.90 -0.43 2.43 6.14 0.20 -4.90 117.35 120.10 1bd3 s TYR 96 Ca 0.56 -0.26 -0.16 0.00 0.64 0.00 0.00 57.07 57.85 1bd3 s TYR 96 Cb -0.23 -0.71 0.03 0.00 0.42 0.00 0.00 41.96 41.47 1bd3 s TYR 96 CO 0.28 -0.17 0.38 -1.01 0.64 0.00 0.00 175.55 175.67 1bd3 s HIS 97 N 0.60 3.21 0.00 4.97 3.76 -1.26 -0.38 115.29 126.19 1bd3 s HIS 97 Ca -0.09 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1bd3 s HIS 97 Cb -0.12 -2.84 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1bd3 s HIS 97 CO 0.01 -0.68 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 1bd3 n GLY 98 N 5.15 7.05 3.14 -2.22 0.00 0.65 -4.95 105.19 114.02 1bd3 n GLY 98 Ca -0.10 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1bd3 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bd3 s VAL 99 N 1.24 0.20 0.00 1.61 -7.23 -1.25 0.16 120.40 115.13 1bd3 s VAL 99 Ca 0.00 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1bd3 s VAL 99 Cb 0.00 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 1bd3 s VAL 99 CO 0.00 -0.61 0.00 -0.55 -0.31 0.00 0.00 175.10 173.64 1bd3 s SER 100 N -3.03 0.04 -0.30 4.85 0.15 0.36 -4.68 113.70 111.09 1bd3 s SER 100 Ca 0.20 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 1bd3 s SER 100 Cb 0.07 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1bd3 s SER 100 CO -0.01 -0.06 0.19 -0.36 1.20 0.00 0.00 173.24 174.20 1bd3 s PHE 101 N -0.30 3.21 -0.45 3.44 0.40 -1.26 0.11 117.98 123.13 1bd3 s PHE 101 Ca -0.03 -0.05 0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1bd3 s PHE 101 Cb -0.02 -2.40 -0.14 0.00 0.51 0.00 0.00 43.02 40.97 1bd3 s PHE 101 CO -0.00 -0.25 0.46 2.48 0.70 0.00 0.00 175.22 178.61 1bd3 n TYR 102 N 5.06 0.00 -1.31 0.36 0.18 -1.26 -5.00 117.16 115.19 1bd3 n TYR 102 Ca -0.14 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.31 1bd3 n TYR 102 Cb 0.51 -0.06 0.10 0.00 -0.38 0.00 0.00 39.34 39.52 1bd3 n TYR 102 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1bd3 s SER 103 N -2.38 4.08 -0.11 9.48 0.01 -1.26 -5.01 113.70 118.52 1bd3 s SER 103 Ca 0.03 2.24 -0.16 0.00 1.31 0.00 0.00 55.95 59.37 1bd3 s SER 103 Cb 0.09 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1bd3 s SER 103 CO 0.49 -2.33 0.39 -0.54 0.41 0.00 0.00 173.24 171.66 1bd3 s LYS 104 N -4.15 4.19 0.28 12.44 1.02 -1.26 -5.02 119.74 127.23 1bd3 s LYS 104 Ca 0.71 0.31 0.04 0.00 0.02 0.00 0.00 55.97 57.05 1bd3 s LYS 104 Cb -0.26 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1bd3 s LYS 104 CO 0.48 0.32 0.16 0.44 -0.92 0.00 0.00 175.35 175.83 1bd3 n ILE 105 N 3.17 0.00 -3.51 2.17 -5.35 -1.26 -1.50 119.36 113.08 1bd3 n ILE 105 Ca -0.11 -1.80 -0.08 0.00 -0.27 0.00 0.00 62.75 60.49 1bd3 n ILE 105 Cb 0.52 0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 39.17 1bd3 n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bd3 s GLY 107 N -2.48 1.95 -0.19 0.00 0.00 -0.19 -1.53 107.32 104.89 1bd3 s GLY 107 Ca 0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1bd3 s GLY 107 CO -0.09 -0.94 0.02 0.14 0.00 0.00 0.00 173.10 172.23 1bd3 s VAL 108 N -1.25 0.67 0.09 1.40 1.01 0.11 -0.11 120.40 122.32 1bd3 s VAL 108 Ca 0.25 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1bd3 s VAL 108 Cb -0.12 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 1bd3 s VAL 108 CO 0.17 -0.14 0.65 -0.44 0.00 0.00 0.00 175.10 175.33 1bd3 s SER 109 N 1.80 7.16 -0.43 3.32 0.01 -0.32 -0.88 113.70 124.36 1bd3 s SER 109 Ca -0.01 1.38 -0.18 0.00 1.31 0.00 0.00 55.95 58.45 1bd3 s SER 109 Cb -0.17 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.68 1bd3 s SER 109 CO -0.07 0.22 0.47 -0.63 0.41 0.00 0.00 173.24 173.64 1bd3 s ILE 110 N -0.96 5.05 0.27 1.44 1.01 -0.86 -1.35 121.20 125.81 1bd3 s ILE 110 Ca 0.32 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 1bd3 s ILE 110 Cb -0.20 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1bd3 s ILE 110 CO 0.21 -0.49 1.31 -0.69 0.00 0.00 0.00 174.94 175.29 1bd3 s VAL 111 N 2.22 2.92 -0.14 2.92 1.01 0.93 -0.24 120.40 130.01 1bd3 s VAL 111 Ca 0.13 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.12 1bd3 s VAL 111 Cb -0.17 -3.54 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 1bd3 s VAL 111 CO 0.14 0.17 0.15 -1.14 0.00 0.00 0.00 175.10 174.41 1bd3 n ARG 112 N 1.63 0.93 -0.27 2.72 0.63 -1.26 -4.41 116.66 116.62 1bd3 n ARG 112 Ca 0.03 -0.05 0.07 0.00 -0.92 0.00 0.00 57.85 56.98 1bd3 n ARG 112 Cb 0.42 -1.47 0.21 0.00 0.45 0.00 0.00 32.46 32.08 1bd3 n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bd3 h ALA 113 N 1.10 1.16 0.00 5.13 0.00 -1.93 0.51 119.26 125.23 1bd3 h ALA 113 Ca -0.38 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1bd3 h ALA 113 Cb 1.84 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1bd3 h ALA 113 CO 0.02 -0.22 -0.06 0.78 0.00 0.00 0.00 179.25 179.77 1bd3 h GLY 114 N 0.46 0.00 1.64 0.00 0.00 -0.79 -2.47 103.07 101.91 1bd3 h GLY 114 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.83 1bd3 h GLY 114 CO -0.43 0.00 0.13 0.83 0.00 0.00 0.00 176.54 177.08 1bd3 h GLU 115 N 0.00 0.00 -0.11 4.80 5.08 -1.01 -0.42 114.58 122.92 1bd3 h GLU 115 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1bd3 h GLU 115 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1bd3 h GLU 115 CO 0.01 0.00 0.12 0.66 -1.00 0.00 0.00 179.01 178.80 1bd3 h SER 116 N 0.00 0.00 0.21 1.42 4.64 -1.57 -1.09 113.55 117.16 1bd3 h SER 116 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1bd3 h SER 116 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1bd3 h SER 116 CO -0.00 0.00 -0.19 0.23 -0.87 0.00 0.00 176.83 176.00 1bd3 n MET 117 N -3.82 0.96 -0.08 4.77 2.81 -0.17 -4.23 117.12 117.36 1bd3 n MET 117 Ca -0.00 -0.54 -0.10 0.00 -1.81 0.00 0.00 57.70 55.25 1bd3 n MET 117 Cb 0.23 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1bd3 n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1bd3 h GLU 118 N 1.31 0.39 -0.66 0.03 5.08 -1.27 -2.65 114.58 116.81 1bd3 h GLU 118 Ca 0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1bd3 h GLU 118 Cb 0.48 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1bd3 h GLU 118 CO 0.00 0.41 0.43 0.66 -1.00 0.00 0.00 179.01 179.52 1bd3 h SER 119 N 0.28 0.75 -0.07 1.42 4.64 -1.76 0.90 113.55 119.71 1bd3 h SER 119 Ca 0.09 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1bd3 h SER 119 Cb 0.16 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1bd3 h SER 119 CO -0.01 0.54 0.03 1.23 -0.87 0.00 0.00 176.83 177.75 1bd3 h GLY 120 N 0.88 0.10 1.02 -0.77 0.00 -1.75 0.16 103.07 102.72 1bd3 h GLY 120 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1bd3 h GLY 120 CO -0.05 0.05 0.35 -2.00 0.00 0.00 0.00 176.54 174.88 1bd3 h LEU 121 N 0.00 1.00 -1.52 3.11 5.85 -0.90 -1.80 115.31 121.04 1bd3 h LEU 121 Ca 0.02 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1bd3 h LEU 121 Cb 0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1bd3 h LEU 121 CO -0.00 0.86 0.00 0.03 -0.34 0.00 0.00 178.44 178.99 1bd3 h ARG 122 N 1.06 0.00 -0.07 1.25 2.47 -0.70 0.23 114.38 118.62 1bd3 h ARG 122 Ca 0.26 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.80 1bd3 h ARG 122 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1bd3 h ARG 122 CO -0.03 0.00 -0.72 0.00 0.56 0.00 0.00 179.97 179.78 1bd3 h ALA 123 N 2.01 0.64 0.00 0.04 0.00 -0.07 -3.32 119.26 118.56 1bd3 h ALA 123 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1bd3 h ALA 123 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bd3 h ALA 123 CO 0.00 0.77 -2.02 1.33 0.00 0.00 0.00 179.25 179.34 1bd3 n VAL 124 N -3.82 0.26 -3.89 0.00 0.24 -0.98 -4.70 118.33 105.44 1bd3 n VAL 124 Ca -0.04 -0.54 -0.29 0.00 -2.04 0.00 0.00 64.34 61.43 1bd3 n VAL 124 Cb 0.70 -0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.86 1bd3 n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bd3 n ARG 126 N 2.90 2.38 -1.52 0.00 1.85 -1.25 -2.04 116.66 118.98 1bd3 n ARG 126 Ca 0.10 0.85 -0.18 0.00 -1.00 0.00 0.00 57.85 57.62 1bd3 n ARG 126 Cb 0.33 -2.62 -0.08 0.00 -1.05 0.00 0.00 32.46 29.05 1bd3 n ARG 126 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bd3 n GLY 127 N 3.08 1.74 3.75 2.89 0.00 -1.26 -4.95 105.19 110.44 1bd3 n GLY 127 Ca 0.14 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1bd3 n GLY 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bd3 n VAL 128 N -2.39 3.16 -2.15 1.61 3.14 -0.87 -4.91 118.33 115.93 1bd3 n VAL 128 Ca -0.18 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.29 1bd3 n VAL 128 Cb 0.64 -1.78 -0.02 0.00 -1.06 0.00 0.00 33.84 31.61 1bd3 n VAL 128 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bd3 s ARG 129 N -2.60 4.38 -0.16 1.45 0.52 -1.26 -4.88 118.95 116.40 1bd3 s ARG 129 Ca 0.65 2.16 0.01 0.00 -0.52 0.00 0.00 55.73 58.03 1bd3 s ARG 129 Cb -0.44 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 31.94 1bd3 s ARG 129 CO 0.55 -0.19 -0.17 0.42 0.02 0.00 0.00 175.30 175.93 1bd3 s ILE 130 N -0.79 1.77 0.27 1.52 1.01 -1.26 -1.02 121.20 122.70 1bd3 s ILE 130 Ca 0.51 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1bd3 s ILE 130 Cb -0.39 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1bd3 s ILE 130 CO 0.48 0.49 0.41 -0.83 0.00 0.00 0.00 174.94 175.49 1bd3 s GLY 131 N 1.35 1.25 0.01 6.18 0.00 0.84 -4.83 107.32 112.12 1bd3 s GLY 131 Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1bd3 s GLY 131 CO -0.10 -1.15 -0.06 0.54 0.00 0.00 0.00 173.10 172.33 1bd3 s LYS 132 N -4.07 0.47 -0.03 2.90 1.02 -0.00 -1.17 119.74 118.85 1bd3 s LYS 132 Ca 0.36 -0.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 1bd3 s LYS 132 Cb -0.09 -0.39 0.03 0.00 -0.52 0.00 0.00 37.83 36.86 1bd3 s LYS 132 CO 0.31 0.10 0.02 0.42 -0.92 0.00 0.00 175.35 175.28 1bd3 s ILE 133 N -0.49 0.05 -0.26 2.17 1.01 -0.45 -1.13 121.20 122.10 1bd3 s ILE 133 Ca -0.01 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 1bd3 s ILE 133 Cb -0.04 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1bd3 s ILE 133 CO -0.00 0.13 -0.01 -0.22 0.00 0.00 0.00 174.94 174.84 1bd3 s LEU 134 N 1.22 3.37 -0.07 2.97 2.96 0.17 -0.05 118.68 129.26 1bd3 s LEU 134 Ca -0.07 -0.75 0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1bd3 s LEU 134 Cb -0.13 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1bd3 s LEU 134 CO -0.03 -0.13 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.01 1bd3 s ILE 135 N 1.40 1.93 0.03 6.68 1.01 -1.26 0.06 121.20 131.05 1bd3 s ILE 135 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1bd3 s ILE 135 Cb -0.16 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1bd3 s ILE 135 CO -0.02 0.54 -0.11 -1.58 0.00 0.00 0.00 174.94 173.77 1bd3 s GLN 136 N 0.05 0.79 0.04 2.79 2.00 0.31 -4.89 119.66 120.75 1bd3 s GLN 136 Ca -0.09 -0.62 -0.25 0.00 -2.00 0.00 0.00 55.36 52.40 1bd3 s GLN 136 Cb -0.15 -0.75 -0.05 0.00 0.80 0.00 0.00 33.01 32.86 1bd3 s GLN 136 CO 0.05 0.19 0.78 1.03 -0.50 0.00 0.00 175.29 176.83 1bd3 s ARG 137 N -0.93 4.50 0.15 1.67 0.52 -1.26 0.12 118.95 123.72 1bd3 s ARG 137 Ca 0.00 1.08 -0.34 0.00 -0.52 0.00 0.00 55.73 55.95 1bd3 s ARG 137 Cb -0.07 -3.37 -0.13 0.00 0.52 0.00 0.00 34.95 31.89 1bd3 s ARG 137 CO 0.01 0.25 1.62 -3.47 0.02 0.00 0.00 175.30 173.73 1bd3 n ASP 138 N 2.92 3.24 0.13 0.23 -0.08 0.16 -4.75 116.55 118.40 1bd3 n ASP 138 Ca -0.02 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.52 1bd3 n ASP 138 Cb 0.50 -1.44 0.70 0.00 2.34 0.00 0.00 41.12 43.23 1bd3 n ASP 138 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1bd3 h GLU 139 N 6.32 0.00 0.00 -0.67 3.07 -1.94 0.57 114.58 121.93 1bd3 h GLU 139 Ca -0.45 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.20 1bd3 h GLU 139 Cb 1.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 1bd3 h GLU 139 CO 0.90 0.00 -1.67 2.41 -1.40 0.00 0.00 179.01 179.26 1bd3 n THR 140 N -3.42 0.79 0.09 1.13 -1.04 -1.26 -4.73 114.28 105.84 1bd3 n THR 140 Ca 0.06 -0.16 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 1bd3 n THR 140 Cb 0.67 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 1bd3 n THR 140 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1bd3 h THR 141 N -0.49 1.52 0.00 12.58 2.02 -1.93 -3.47 112.91 123.14 1bd3 h THR 141 Ca -0.32 -2.94 0.00 0.00 0.77 0.00 0.00 66.41 63.92 1bd3 h THR 141 Cb 1.24 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1bd3 h THR 141 CO -0.19 0.82 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1bd3 n ALA 142 N -2.35 0.00 -2.04 6.16 0.00 0.20 -4.89 120.51 117.59 1bd3 n ALA 142 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1bd3 n ALA 142 Cb 0.83 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1bd3 n ALA 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bd3 s GLU 143 N -0.09 4.34 0.02 0.00 2.02 -1.26 -4.19 118.70 119.54 1bd3 s GLU 143 Ca 0.00 2.10 -0.30 0.00 0.02 0.00 0.00 54.97 56.79 1bd3 s GLU 143 Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1bd3 s GLU 143 CO 0.00 -0.35 1.08 -2.14 0.02 0.00 0.00 175.26 173.87 1bd3 s PRO 144 N 0.29 4.49 0.07 0.39 0.02 -1.26 0.37 135.00 139.37 1bd3 s PRO 144 Ca 0.60 1.57 0.06 0.00 0.02 0.00 0.00 61.00 63.25 1bd3 s PRO 144 Cb -0.38 -3.42 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 1bd3 s PRO 144 CO 0.36 -0.17 -0.17 0.21 -0.33 0.00 0.00 177.00 176.91 1bd3 s LYS 145 N 1.14 1.01 -0.23 5.54 2.36 0.12 -4.91 119.74 124.77 1bd3 s LYS 145 Ca 0.55 -0.96 -0.29 0.00 -2.55 0.00 0.00 55.97 52.72 1bd3 s LYS 145 Cb -0.24 -1.11 -0.00 0.00 -1.05 0.00 0.00 37.83 35.42 1bd3 s LYS 145 CO 0.28 0.26 1.24 -1.17 1.55 0.00 0.00 175.35 177.51 1bd3 s LEU 146 N -1.55 4.05 -0.22 5.43 0.20 -1.26 -0.53 118.68 124.80 1bd3 s LEU 146 Ca 0.03 1.44 -0.01 0.00 0.69 0.00 0.00 54.13 56.28 1bd3 s LEU 146 Cb -0.09 -3.54 -0.20 0.00 -0.43 0.00 0.00 46.19 41.93 1bd3 s LEU 146 CO 0.02 -0.87 -0.06 -0.38 -0.29 0.00 0.00 176.35 174.77 1bd3 n ILE 147 N 5.69 1.57 -3.61 6.68 2.08 0.11 -4.95 119.36 126.94 1bd3 n ILE 147 Ca 0.14 -0.59 -0.15 0.00 0.56 0.00 0.00 62.75 62.70 1bd3 n ILE 147 Cb 0.46 -1.52 -0.07 0.00 -0.75 0.00 0.00 39.64 37.76 1bd3 n ILE 147 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1bd3 s TYR 148 N -2.53 -0.67 -0.05 1.39 6.14 -0.94 -4.99 117.35 115.70 1bd3 s TYR 148 Ca -0.31 1.43 -0.15 0.00 0.64 0.00 0.00 57.07 58.67 1bd3 s TYR 148 Cb 0.08 0.30 0.03 0.00 0.42 0.00 0.00 41.96 42.79 1bd3 s TYR 148 CO 0.65 -0.45 0.34 -1.83 0.64 0.00 0.00 175.55 174.90 1bd3 s GLU 149 N -0.36 0.61 -0.28 4.97 4.04 -1.26 0.44 118.70 126.86 1bd3 s GLU 149 Ca -0.05 0.04 0.01 0.00 0.04 0.00 0.00 54.97 55.01 1bd3 s GLU 149 Cb -0.03 0.28 0.15 0.00 0.02 0.00 0.00 34.13 34.55 1bd3 s GLU 149 CO 0.05 -0.15 0.40 0.21 -1.84 0.00 0.00 175.26 173.93 1bd3 s LYS 150 N -0.86 0.40 0.29 -4.83 2.36 -0.28 -4.99 119.74 111.83 1bd3 s LYS 150 Ca -0.09 0.24 0.08 0.00 -2.55 0.00 0.00 55.97 53.64 1bd3 s LYS 150 Cb -0.04 -0.35 -0.06 0.00 -1.05 0.00 0.00 37.83 36.33 1bd3 s LYS 150 CO 0.03 -0.92 -0.08 -0.51 1.55 0.00 0.00 175.35 175.42 1bd3 s LEU 151 N 2.54 2.55 0.48 5.43 1.02 -1.26 -0.82 118.68 128.62 1bd3 s LEU 151 Ca 0.11 -1.18 -0.23 0.00 0.02 0.00 0.00 54.13 52.84 1bd3 s LEU 151 Cb -0.13 -0.74 -0.07 0.00 0.02 0.00 0.00 46.19 45.27 1bd3 s LEU 151 CO -0.26 -0.29 1.32 -2.84 0.02 0.00 0.00 176.35 174.30 1bd3 s PRO 152 N -3.69 3.52 0.46 1.29 0.02 -1.26 -4.89 135.00 130.45 1bd3 s PRO 152 Ca 0.30 2.16 0.13 0.00 0.02 0.00 0.00 61.00 63.61 1bd3 s PRO 152 Cb 0.03 -2.46 1.07 0.00 0.02 0.00 0.00 34.50 33.16 1bd3 s PRO 152 CO 0.13 -0.86 2.05 0.00 -0.33 0.00 0.00 177.00 177.98 1bd3 h ALA 153 N 1.97 1.96 -0.56 -1.55 0.00 -2.03 -2.72 119.26 116.33 1bd3 h ALA 153 Ca -0.50 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1bd3 h ALA 153 Cb 1.27 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1bd3 h ALA 153 CO 0.60 -0.02 0.15 -0.40 0.00 0.00 0.00 179.25 179.57 1bd3 n ASP 154 N -4.48 4.15 -0.34 0.00 5.68 -1.26 -4.70 116.55 115.60 1bd3 n ASP 154 Ca 0.04 -3.29 0.29 0.00 -0.50 0.00 0.00 54.79 51.34 1bd3 n ASP 154 Cb 0.22 -0.68 0.61 0.00 -1.14 0.00 0.00 41.12 40.14 1bd3 n ASP 154 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1bd3 h ILE 155 N 2.11 0.43 -0.24 2.12 2.10 -1.86 0.38 117.51 122.54 1bd3 h ILE 155 Ca 0.20 -0.07 0.07 0.00 1.08 0.00 0.00 64.86 66.14 1bd3 h ILE 155 Cb 2.01 0.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 1bd3 h ILE 155 CO 0.56 0.04 0.18 0.08 -1.08 0.00 0.00 178.15 177.93 1bd3 h ARG 156 N 0.21 0.00 -0.00 2.19 -0.00 -1.83 0.20 114.38 115.15 1bd3 h ARG 156 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.60 1bd3 h ARG 156 Cb 1.93 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.90 1bd3 h ARG 156 CO -0.21 0.00 -0.16 0.39 -0.00 0.00 0.00 179.97 180.00 1bd3 n GLU 157 N -4.36 0.68 -3.93 0.08 -0.58 0.13 -4.52 120.64 108.14 1bd3 n GLU 157 Ca 0.03 -0.28 -0.22 0.00 -0.42 0.00 0.00 57.16 56.26 1bd3 n GLU 157 Cb 0.33 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 1bd3 n GLU 157 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bd3 s ARG 158 N -2.52 2.48 -0.01 3.49 0.52 0.06 -4.80 118.95 118.16 1bd3 s ARG 158 Ca 0.27 -1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 53.77 1bd3 s ARG 158 Cb 0.20 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1bd3 s ARG 158 CO 0.50 0.03 0.56 -1.58 0.02 0.00 0.00 175.30 174.82 1bd3 s TRP 159 N -2.42 3.68 -0.17 -0.53 0.52 -0.56 -4.80 118.94 114.66 1bd3 s TRP 159 Ca 0.41 1.15 -0.04 0.00 0.02 0.00 0.00 56.10 57.63 1bd3 s TRP 159 Cb -0.03 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 1bd3 s TRP 159 CO 0.25 0.38 -0.03 0.08 0.02 0.00 0.00 176.95 177.65 1bd3 s VAL 160 N -0.25 3.92 -0.45 4.03 1.01 0.69 -2.19 120.40 127.16 1bd3 s VAL 160 Ca 0.29 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1bd3 s VAL 160 Cb -0.18 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1bd3 s VAL 160 CO 0.16 0.48 0.34 -0.04 0.00 0.00 0.00 175.10 176.03 1bd3 s MET 161 N 0.53 2.80 -0.31 2.72 -1.94 -0.58 -0.11 119.30 122.41 1bd3 s MET 161 Ca -0.02 -1.43 -0.17 0.00 -1.71 0.00 0.00 55.69 52.36 1bd3 s MET 161 Cb -0.14 -3.98 -0.02 0.00 2.01 0.00 0.00 34.83 32.70 1bd3 s MET 161 CO 0.02 -1.01 0.47 -1.17 -0.01 0.00 0.00 175.02 173.33 1bd3 s LEU 162 N 1.53 4.19 -0.22 -0.03 2.96 -0.29 0.08 118.68 126.91 1bd3 s LEU 162 Ca 0.04 0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1bd3 s LEU 162 Cb -0.24 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1bd3 s LEU 162 CO 0.04 -0.35 0.06 -0.76 -1.32 0.00 0.00 176.35 174.02 1bd3 s LEU 163 N 2.28 3.57 -0.30 -0.68 1.43 -0.06 -0.19 118.68 124.74 1bd3 s LEU 163 Ca 0.18 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1bd3 s LEU 163 Cb -0.16 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.31 1bd3 s LEU 163 CO 0.11 0.06 0.65 -0.62 0.23 0.00 0.00 176.35 176.78 1bd3 s ASP 164 N 1.06 -1.26 0.33 2.29 -1.08 -1.01 -2.03 116.67 114.96 1bd3 s ASP 164 Ca 0.04 0.96 0.07 0.00 -0.52 0.00 0.00 52.55 53.10 1bd3 s ASP 164 Cb -0.14 2.13 0.74 0.00 -1.46 0.00 0.00 42.92 44.18 1bd3 s ASP 164 CO 0.03 -0.24 1.85 -0.65 0.52 0.00 0.00 175.17 176.68 1bd3 h PRO 165 N 7.99 0.76 -6.76 4.34 0.11 -1.82 -3.36 132.00 133.26 1bd3 h PRO 165 Ca -0.21 -0.05 -0.67 0.00 0.11 0.00 0.00 66.00 65.18 1bd3 h PRO 165 Cb 1.15 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.86 1bd3 h PRO 165 CO 0.20 0.50 -0.87 -1.64 -0.21 0.00 0.00 178.00 175.99 1bd3 s MET 166 N -5.78 1.45 -0.32 1.05 -1.94 -1.26 -0.32 119.30 112.17 1bd3 s MET 166 Ca -0.11 -1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 52.59 1bd3 s MET 166 Cb 0.23 -1.84 0.13 0.00 2.01 0.00 0.00 34.83 35.35 1bd3 s MET 166 CO 0.80 0.45 0.19 0.00 -0.01 0.00 0.00 175.02 176.44 1bd3 n ALA 168 N 4.60 0.00 0.72 0.00 0.00 -1.26 -1.61 120.51 122.95 1bd3 n ALA 168 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1bd3 n ALA 168 Cb 0.40 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.98 1bd3 n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bd3 n THR 169 N -1.06 0.17 -0.98 0.00 -2.24 -1.26 -2.63 114.28 106.28 1bd3 n THR 169 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1bd3 n THR 169 Cb 0.00 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1bd3 n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bd3 n ALA 170 N -1.72 0.00 0.04 6.98 0.00 -1.26 -4.58 120.51 119.97 1bd3 n ALA 170 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1bd3 n ALA 170 Cb 0.40 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1bd3 n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bd3 h GLY 171 N 0.00 -0.04 0.89 0.00 0.00 -1.96 -1.26 103.07 100.70 1bd3 h GLY 171 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1bd3 h GLY 171 CO 0.00 -0.06 -0.15 1.76 0.00 0.00 0.00 176.54 178.09 1bd3 h SER 172 N -0.08 -0.37 -0.80 0.19 0.02 -1.99 -2.56 113.55 107.96 1bd3 h SER 172 Ca 0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1bd3 h SER 172 Cb 0.11 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1bd3 h SER 172 CO -0.06 -0.17 0.46 1.62 -1.14 0.00 0.00 176.83 177.55 1bd3 h VAL 173 N -0.55 1.23 -0.77 2.27 3.04 -1.94 -0.92 116.25 118.61 1bd3 h VAL 173 Ca -0.04 -0.54 0.04 0.00 -1.01 0.00 0.00 66.70 65.15 1bd3 h VAL 173 Cb 0.41 0.11 -0.05 0.00 -2.01 0.00 0.00 31.29 29.75 1bd3 h VAL 173 CO 0.07 0.25 0.48 0.00 -1.01 0.00 0.00 177.57 177.36 1bd3 h LYS 175 N 0.91 0.81 -0.47 0.00 3.11 -0.97 -0.52 116.57 119.44 1bd3 h LYS 175 Ca 0.32 -0.22 0.02 0.00 -2.81 0.00 0.00 60.65 57.96 1bd3 h LYS 175 Cb 0.08 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 1bd3 h LYS 175 CO -0.14 0.81 0.28 0.00 -2.81 0.00 0.00 179.45 177.60 1bd3 h ALA 176 N 0.97 0.59 -0.79 5.00 0.00 -0.30 -1.39 119.26 123.34 1bd3 h ALA 176 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1bd3 h ALA 176 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1bd3 h ALA 176 CO 0.01 -0.03 0.33 0.82 0.00 0.00 0.00 179.25 180.39 1bd3 h ILE 177 N 0.56 1.26 -0.51 0.00 2.04 -0.60 -1.70 117.51 118.56 1bd3 h ILE 177 Ca 0.18 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1bd3 h ILE 177 Cb 0.00 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1bd3 h ILE 177 CO -0.08 0.33 0.20 -0.08 0.00 0.00 0.00 178.15 178.52 1bd3 h GLU 178 N 1.15 0.39 -0.34 2.37 4.81 -0.32 0.44 114.58 123.08 1bd3 h GLU 178 Ca 0.27 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1bd3 h GLU 178 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1bd3 h GLU 178 CO -0.03 0.26 -0.22 -0.24 -0.73 0.00 0.00 179.01 178.05 1bd3 h VAL 179 N 0.40 1.27 -0.49 0.32 3.04 -0.91 -1.33 116.25 118.55 1bd3 h VAL 179 Ca 0.24 -1.29 -0.05 0.00 -1.01 0.00 0.00 66.70 64.59 1bd3 h VAL 179 Cb 0.24 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 1bd3 h VAL 179 CO -0.23 0.42 0.12 -0.07 -1.01 0.00 0.00 177.57 176.80 1bd3 h LEU 180 N 0.57 0.74 -1.02 3.16 3.38 -0.55 -2.54 115.31 119.05 1bd3 h LEU 180 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1bd3 h LEU 180 Cb 0.69 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1bd3 h LEU 180 CO 0.05 0.78 0.53 -0.07 0.09 0.00 0.00 178.44 179.82 1bd3 h LEU 181 N 0.67 1.06 -2.26 1.67 3.38 -0.58 -0.78 115.31 118.47 1bd3 h LEU 181 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1bd3 h LEU 181 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1bd3 h LEU 181 CO 0.00 0.82 -0.04 0.08 0.09 0.00 0.00 178.44 179.39 1bd3 h ARG 182 N 1.22 0.00 -0.01 1.13 0.11 -0.88 0.70 114.38 116.64 1bd3 h ARG 182 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1bd3 h ARG 182 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1bd3 h ARG 182 CO -0.06 0.04 -0.21 1.28 0.10 0.00 0.00 179.97 181.12 1bd3 n LEU 183 N -3.40 0.82 0.00 0.08 4.77 -0.33 -4.94 117.00 114.00 1bd3 n LEU 183 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1bd3 n LEU 183 Cb 0.17 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1bd3 n LEU 183 CO 0.26 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1bd3 n GLY 184 N 1.33 0.74 3.78 -0.72 0.00 0.24 -4.61 105.19 105.95 1bd3 n GLY 184 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1bd3 n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bd3 s VAL 185 N -2.00 3.43 0.14 1.61 -7.23 -1.01 -4.68 120.40 110.65 1bd3 s VAL 185 Ca 0.00 1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 1bd3 s VAL 185 Cb 0.00 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 1bd3 s VAL 185 CO 0.00 0.02 0.96 -0.54 -0.31 0.00 0.00 175.10 175.24 1bd3 s LYS 186 N -2.50 4.72 0.30 4.82 -0.14 -1.26 -4.52 119.74 121.16 1bd3 s LYS 186 Ca 0.59 1.47 0.03 0.00 -1.36 0.00 0.00 55.97 56.71 1bd3 s LYS 186 Cb -0.26 -3.36 0.64 0.00 -1.68 0.00 0.00 37.83 33.17 1bd3 s LYS 186 CO 0.32 0.26 1.82 1.49 -0.76 0.00 0.00 175.35 178.48 1bd3 h GLU 187 N 5.30 0.87 0.00 1.68 4.81 -1.94 0.29 114.58 125.60 1bd3 h GLU 187 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1bd3 h GLU 187 Cb 1.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1bd3 h GLU 187 CO 0.71 0.58 0.00 -0.85 -0.73 0.00 0.00 179.01 178.72 1bd3 n GLU 188 N -4.65 0.02 -0.41 1.92 0.00 -1.26 -2.57 120.64 113.68 1bd3 n GLU 188 Ca 0.20 0.34 0.09 0.00 0.00 0.00 0.00 57.16 57.79 1bd3 n GLU 188 Cb 0.43 -1.54 0.29 0.00 0.00 0.00 0.00 31.44 30.61 1bd3 n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1bd3 n ARG 189 N -1.58 3.14 -3.62 3.44 1.74 0.09 -4.84 116.66 115.03 1bd3 n ARG 189 Ca 0.02 -2.60 -0.38 0.00 -0.77 0.00 0.00 57.85 54.13 1bd3 n ARG 189 Cb 0.13 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1bd3 n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bd3 s ILE 190 N -1.46 5.25 -0.32 0.55 1.01 -1.06 -0.22 121.20 124.94 1bd3 s ILE 190 Ca 0.42 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 1bd3 s ILE 190 Cb 0.25 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 39.29 1bd3 s ILE 190 CO 0.24 0.28 0.06 -0.63 0.00 0.00 0.00 174.94 174.88 1bd3 s ILE 191 N 1.60 3.32 -0.39 2.92 1.01 0.84 -0.99 121.20 129.51 1bd3 s ILE 191 Ca 0.07 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 1bd3 s ILE 191 Cb -0.15 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.40 1bd3 s ILE 191 CO 0.09 -0.19 0.87 0.12 0.00 0.00 0.00 174.94 175.83 1bd3 s PHE 192 N 1.30 3.06 -0.31 3.97 5.36 0.41 -1.14 117.98 130.63 1bd3 s PHE 192 Ca -0.03 0.59 -0.15 0.00 -0.96 0.00 0.00 56.93 56.38 1bd3 s PHE 192 Cb -0.20 -3.61 -0.02 0.00 -0.34 0.00 0.00 43.02 38.84 1bd3 s PHE 192 CO 0.00 -0.85 0.37 0.08 -1.46 0.00 0.00 175.22 173.36 1bd3 s VAL 193 N 3.37 5.17 0.05 3.12 1.01 0.73 -0.64 120.40 133.21 1bd3 s VAL 193 Ca 0.35 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1bd3 s VAL 193 Cb -0.12 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1bd3 s VAL 193 CO 0.20 0.02 -0.10 0.21 0.00 0.00 0.00 175.10 175.42 1bd3 s ASN 194 N 1.70 1.12 -0.16 3.32 3.84 -0.02 -2.41 114.94 122.33 1bd3 s ASN 194 Ca 0.13 -0.57 -0.14 0.00 0.21 0.00 0.00 52.86 52.49 1bd3 s ASN 194 Cb -0.16 0.01 -0.10 0.00 -0.55 0.00 0.00 41.25 40.45 1bd3 s ASN 194 CO 0.11 -0.16 0.06 0.40 -2.79 0.00 0.00 177.10 174.72 1bd3 h ILE 195 N 4.43 0.46 -4.17 -5.21 2.04 -1.16 -3.11 117.51 110.78 1bd3 h ILE 195 Ca -0.37 -1.52 -0.47 0.00 1.00 0.00 0.00 64.86 63.50 1bd3 h ILE 195 Cb 1.20 1.04 -0.29 0.00 -0.74 0.00 0.00 36.82 38.04 1bd3 h ILE 195 CO 0.40 0.16 -0.81 -0.22 0.00 0.00 0.00 178.15 177.68 1bd3 s LEU 196 N -8.15 2.04 0.06 1.44 2.96 0.56 -1.92 118.68 115.68 1bd3 s LEU 196 Ca -0.18 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1bd3 s LEU 196 Cb 0.03 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 1bd3 s LEU 196 CO 0.36 0.15 -0.03 0.00 -1.32 0.00 0.00 176.35 175.51 1bd3 s ALA 197 N -0.38 0.55 0.12 5.97 0.00 -0.72 -1.45 121.76 125.85 1bd3 s ALA 197 Ca 0.05 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1bd3 s ALA 197 Cb -0.06 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1bd3 s ALA 197 CO -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 175.76 175.35 1bd3 s ALA 198 N -3.92 3.14 0.22 0.00 0.00 -0.63 -0.49 121.76 120.08 1bd3 s ALA 198 Ca 0.08 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 1bd3 s ALA 198 Cb 0.08 -1.02 0.32 0.00 0.00 0.00 0.00 23.12 22.50 1bd3 s ALA 198 CO -0.09 0.61 1.79 -1.35 0.00 0.00 0.00 175.76 176.72 1bd3 h PRO 199 N 3.28 0.61 -0.32 0.00 0.11 -1.82 -1.64 132.00 132.23 1bd3 h PRO 199 Ca -0.48 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1bd3 h PRO 199 Cb 1.18 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1bd3 h PRO 199 CO 0.56 0.40 0.07 1.96 -0.21 0.00 0.00 178.00 180.79 1bd3 h GLN 200 N 0.63 0.18 -0.00 1.05 7.50 -1.92 0.28 115.11 122.82 1bd3 h GLN 200 Ca 0.34 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.51 1bd3 h GLN 200 Cb 0.33 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.78 1bd3 h GLN 200 CO -0.25 0.12 -0.27 0.78 -1.50 0.00 0.00 178.83 177.71 1bd3 h GLY 201 N 0.19 -0.43 0.65 3.46 0.00 -1.08 0.56 103.07 106.42 1bd3 h GLY 201 Ca 0.15 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.86 1bd3 h GLY 201 CO -0.18 -0.22 0.23 -2.22 0.00 0.00 0.00 176.54 174.15 1bd3 h ILE 202 N -0.42 0.91 -0.18 2.60 2.04 -0.94 -2.06 117.51 119.46 1bd3 h ILE 202 Ca 0.06 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1bd3 h ILE 202 Cb 0.50 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1bd3 h ILE 202 CO -0.24 0.08 -0.06 -0.33 0.00 0.00 0.00 178.15 177.60 1bd3 h GLU 203 N 0.45 -0.03 -0.32 2.37 5.08 -0.06 -2.09 114.58 119.98 1bd3 h GLU 203 Ca 0.23 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1bd3 h GLU 203 Cb 0.18 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1bd3 h GLU 203 CO -0.19 -0.02 0.16 -0.09 -1.00 0.00 0.00 179.01 177.87 1bd3 h ARG 204 N -0.03 0.32 -1.01 2.33 1.12 -0.50 -1.02 114.38 115.59 1bd3 h ARG 204 Ca 0.09 -0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.02 1bd3 h ARG 204 Cb 0.17 -0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 29.98 1bd3 h ARG 204 CO -0.20 0.21 0.65 -0.24 -3.11 0.00 0.00 179.97 177.28 1bd3 h VAL 205 N 0.33 1.05 0.00 0.20 3.04 -1.12 -0.86 116.25 118.89 1bd3 h VAL 205 Ca 0.13 -0.39 -0.07 0.00 -1.01 0.00 0.00 66.70 65.36 1bd3 h VAL 205 Cb 0.05 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.13 1bd3 h VAL 205 CO -0.09 0.21 -0.35 -0.26 -1.01 0.00 0.00 177.57 176.07 1bd3 h PHE 206 N 1.14 0.00 -0.04 3.17 0.04 -0.99 0.27 116.94 120.53 1bd3 h PHE 206 Ca 0.45 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.20 1bd3 h PHE 206 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1bd3 h PHE 206 CO -0.00 0.35 -0.03 1.57 -0.60 0.00 0.00 178.31 179.59 1bd3 h LYS 207 N 0.00 0.10 0.00 1.51 2.10 -0.26 -2.61 116.57 117.41 1bd3 h LYS 207 Ca -0.00 -0.05 -0.24 0.00 -2.00 0.00 0.00 60.65 58.36 1bd3 h LYS 207 Cb 1.11 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1bd3 h LYS 207 CO 0.05 0.53 -0.99 0.93 -2.00 0.00 0.00 179.45 177.96 1bd3 h GLU 208 N -0.32 0.51 -2.27 0.07 5.08 -1.16 -3.40 114.58 113.10 1bd3 h GLU 208 Ca 0.01 -0.56 -0.58 0.00 -1.00 0.00 0.00 59.36 57.23 1bd3 h GLU 208 Cb 0.50 0.16 -0.38 0.00 0.50 0.00 0.00 28.75 29.53 1bd3 h GLU 208 CO 0.01 1.19 -1.01 0.66 -1.00 0.00 0.00 179.01 178.86 1bd3 n TYR 209 N -3.78 -0.71 0.28 4.33 4.01 0.95 -4.95 117.16 117.28 1bd3 n TYR 209 Ca -0.08 -3.39 0.18 0.00 -0.16 0.00 0.00 57.90 54.44 1bd3 n TYR 209 Cb 0.86 0.08 0.95 0.00 -0.31 0.00 0.00 39.34 40.92 1bd3 n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bd3 h PRO 210 N 5.16 0.00 0.00 -0.72 0.13 -1.61 -2.93 132.00 132.02 1bd3 h PRO 210 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1bd3 h PRO 210 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1bd3 h PRO 210 CO 0.40 0.00 -0.56 1.63 -0.23 0.00 0.00 178.00 179.24 1bd3 n LYS 211 N -2.76 0.01 -1.42 0.86 5.02 -1.26 -4.95 118.16 113.66 1bd3 n LYS 211 Ca -0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1bd3 n LYS 211 Cb 0.10 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.76 1bd3 n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1bd3 s VAL 212 N -3.01 1.99 -0.01 -0.18 -7.23 -1.11 -4.27 120.40 106.59 1bd3 s VAL 212 Ca 0.10 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.33 1bd3 s VAL 212 Cb 0.17 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1bd3 s VAL 212 CO 0.72 0.00 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.75 1bd3 s ARG 213 N -5.20 2.32 -0.06 4.82 6.06 -0.17 -4.86 118.95 121.86 1bd3 s ARG 213 Ca 0.65 -0.82 0.02 0.00 -2.50 0.00 0.00 55.73 53.07 1bd3 s ARG 213 Cb -0.16 -2.29 0.02 0.00 0.06 0.00 0.00 34.95 32.58 1bd3 s ARG 213 CO 0.55 0.59 -0.10 1.41 -2.50 0.00 0.00 175.30 175.24 1bd3 s MET 214 N -1.05 1.50 -0.12 5.12 -2.45 -0.68 0.15 119.30 121.78 1bd3 s MET 214 Ca 0.13 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 1bd3 s MET 214 Cb -0.11 -1.27 -0.00 0.00 1.25 0.00 0.00 34.83 34.70 1bd3 s MET 214 CO 0.03 0.00 -0.21 0.08 1.05 0.00 0.00 175.02 175.98 1bd3 s VAL 215 N 0.71 2.32 0.06 10.11 1.01 0.18 0.01 120.40 134.81 1bd3 s VAL 215 Ca -0.14 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 1bd3 s VAL 215 Cb -0.15 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1bd3 s VAL 215 CO 0.03 0.55 0.11 0.28 0.00 0.00 0.00 175.10 176.07 1bd3 s THR 216 N 0.49 0.16 -0.16 3.92 -1.32 0.02 -0.84 115.64 117.91 1bd3 s THR 216 Ca -0.13 -1.31 0.19 0.00 -1.21 0.00 0.00 61.69 59.23 1bd3 s THR 216 Cb -0.17 -1.26 -0.10 0.00 -1.51 0.00 0.00 72.50 69.45 1bd3 s THR 216 CO 0.05 -0.72 0.85 0.00 -2.21 0.00 0.00 174.62 172.59 1bd3 n ALA 217 N 0.21 2.20 -3.51 11.08 0.00 -0.84 -1.26 120.51 128.39 1bd3 n ALA 217 Ca -0.16 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1bd3 n ALA 217 Cb 0.61 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1bd3 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bd3 s ALA 218 N -3.12 -1.79 -0.13 0.00 0.00 -0.81 -4.67 121.76 111.24 1bd3 s ALA 218 Ca -0.03 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1bd3 s ALA 218 Cb 0.09 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1bd3 s ALA 218 CO 0.81 -0.46 -0.13 0.54 0.00 0.00 0.00 175.76 176.52 1bd3 s VAL 219 N -1.84 1.42 0.64 0.00 0.11 -1.26 -1.76 120.40 117.70 1bd3 s VAL 219 Ca -0.05 -0.55 -0.09 0.00 -2.93 0.00 0.00 61.98 58.37 1bd3 s VAL 219 Cb -0.00 -1.35 0.14 0.00 -1.53 0.00 0.00 36.38 33.64 1bd3 s VAL 219 CO 0.02 0.43 0.87 0.47 -3.33 0.00 0.00 175.10 173.56 1bd3 n ASP 220 N 4.72 0.30 0.08 3.54 9.92 0.35 -4.96 116.55 130.50 1bd3 n ASP 220 Ca -0.16 -1.46 -0.06 0.00 -0.53 0.00 0.00 54.79 52.58 1bd3 n ASP 220 Cb 0.50 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 1bd3 n ASP 220 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1bd3 h ILE 221 N -1.28 0.14 -1.63 0.53 1.08 -1.61 -3.39 117.51 111.35 1bd3 h ILE 221 Ca -0.28 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1bd3 h ILE 221 Cb 0.84 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1bd3 h ILE 221 CO 0.22 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.72 1bd3 s LEU 223 N 0.00 3.80 0.94 0.00 1.43 -1.26 0.20 118.68 123.79 1bd3 s LEU 223 Ca 0.00 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1bd3 s LEU 223 Cb 0.00 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 44.03 1bd3 s LEU 223 CO 0.00 -0.00 1.16 0.21 0.23 0.00 0.00 176.35 177.95 1bd3 s ASN 224 N -3.61 3.26 0.53 2.29 2.47 1.03 -4.74 114.94 116.18 1bd3 s ASN 224 Ca 0.32 0.83 0.28 0.00 0.42 0.00 0.00 52.86 54.72 1bd3 s ASN 224 Cb -0.08 -1.30 1.50 0.00 -1.45 0.00 0.00 41.25 39.91 1bd3 s ASN 224 CO 0.24 -2.69 2.09 0.28 -3.72 0.00 0.00 177.10 173.30 1bd3 h SER 225 N -1.60 0.00 -0.79 -4.21 0.02 -2.00 0.93 113.55 105.91 1bd3 h SER 225 Ca -0.49 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.04 1bd3 h SER 225 Cb 1.32 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.61 1bd3 h SER 225 CO 0.56 0.10 0.40 -1.14 -1.14 0.00 0.00 176.83 175.62 1bd3 n ARG 226 N -3.62 2.17 -3.20 3.45 0.00 -1.26 -4.95 116.66 109.25 1bd3 n ARG 226 Ca -0.02 -3.12 -0.23 0.00 -0.00 0.00 0.00 57.85 54.48 1bd3 n ARG 226 Cb 0.22 -2.07 0.04 0.00 0.00 0.00 0.00 32.46 30.65 1bd3 n ARG 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1bd3 n TYR 227 N -1.12 -2.10 -4.44 -0.14 4.01 0.32 -5.00 117.16 108.70 1bd3 n TYR 227 Ca 0.51 0.61 -0.33 0.00 -0.16 0.00 0.00 57.90 58.53 1bd3 n TYR 227 Cb 1.39 -4.34 -0.10 0.00 -0.31 0.00 0.00 39.34 35.98 1bd3 n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bd3 s TYR 228 N -3.17 3.01 0.37 -0.72 2.02 -1.26 -4.61 117.35 112.98 1bd3 s TYR 228 Ca 0.38 0.06 -0.27 0.00 -0.37 0.00 0.00 57.07 56.87 1bd3 s TYR 228 Cb -0.17 -1.69 -0.09 0.00 -0.40 0.00 0.00 41.96 39.61 1bd3 s TYR 228 CO 0.47 0.41 1.20 0.42 -1.57 0.00 0.00 175.55 176.48 1bd3 s ILE 229 N -0.95 3.05 0.01 2.71 1.01 -1.26 0.34 121.20 126.10 1bd3 s ILE 229 Ca 0.16 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1bd3 s ILE 229 Cb -0.11 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1bd3 s ILE 229 CO 0.06 0.14 -0.05 0.68 0.00 0.00 0.00 174.94 175.77 1bd3 s VAL 230 N -1.30 0.39 0.55 2.92 -7.23 0.13 -2.90 120.40 112.95 1bd3 s VAL 230 Ca 0.54 -0.37 0.32 0.00 -1.81 0.00 0.00 61.98 60.66 1bd3 s VAL 230 Cb -0.34 -0.36 0.36 0.00 0.56 0.00 0.00 36.38 36.60 1bd3 s VAL 230 CO 0.43 0.00 2.23 1.55 -0.31 0.00 0.00 175.10 179.00 1bd3 h PRO 231 N 5.73 0.00 0.00 4.82 0.13 -1.95 -1.57 132.00 139.16 1bd3 h PRO 231 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1bd3 h PRO 231 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bd3 h PRO 231 CO 0.48 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 1bd3 n GLY 232 N -1.09 0.71 0.00 1.56 0.00 -1.14 -4.76 105.19 100.47 1bd3 n GLY 232 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1bd3 n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bd3 n ILE 233 N 0.00 0.00 -0.38 -0.61 0.00 -1.26 -4.80 119.36 112.31 1bd3 n ILE 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1bd3 n ILE 233 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 39.64 40.14 1bd3 n ILE 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bd3 n GLY 234 N 0.00 -1.32 3.52 4.50 0.00 -1.26 -4.75 105.19 105.88 1bd3 n GLY 234 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1bd3 n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bd3 s ASP 235 N -4.00 6.21 0.15 1.61 -1.08 -1.26 -4.90 116.67 113.41 1bd3 s ASP 235 Ca 0.00 -0.54 -0.18 0.00 -0.52 0.00 0.00 52.55 51.30 1bd3 s ASP 235 Cb 0.00 -2.50 0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1bd3 s ASP 235 CO 0.00 -1.61 1.68 0.15 0.52 0.00 0.00 175.17 175.90 1bd3 h PHE 236 N 9.76 -0.20 -0.93 -5.34 3.04 -1.99 -1.69 116.94 119.59 1bd3 h PHE 236 Ca -0.28 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.74 1bd3 h PHE 236 Cb 1.06 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 39.66 1bd3 h PHE 236 CO 1.05 -0.15 0.61 0.78 -2.02 0.00 0.00 178.31 178.57 1bd3 h GLY 237 N -0.01 1.36 0.98 2.40 0.00 -1.90 0.29 103.07 106.18 1bd3 h GLY 237 Ca 0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1bd3 h GLY 237 CO -0.35 0.41 -0.03 -0.55 0.00 0.00 0.00 176.54 176.01 1bd3 h ASP 238 N 1.19 0.77 -0.35 0.19 3.32 -1.79 -0.32 116.42 119.43 1bd3 h ASP 238 Ca 0.37 -0.33 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1bd3 h ASP 238 Cb -0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1bd3 h ASP 238 CO -0.12 0.91 -0.25 0.03 -1.72 0.00 0.00 179.24 178.10 1bd3 h ARG 239 N 0.61 0.85 -0.07 3.56 3.08 -0.82 0.19 114.38 121.79 1bd3 h ARG 239 Ca 0.12 -0.37 -0.15 0.00 0.07 0.00 0.00 59.98 59.65 1bd3 h ARG 239 Cb 0.54 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1bd3 h ARG 239 CO 0.03 1.00 -0.55 -0.92 -1.07 0.00 0.00 179.97 178.46 1bd3 h TYR 240 N 0.73 0.68 0.00 3.04 3.20 -0.35 -3.29 116.97 120.99 1bd3 h TYR 240 Ca 0.09 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1bd3 h TYR 240 Cb 0.79 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1bd3 h TYR 240 CO 0.05 1.12 -0.43 1.19 -1.64 0.00 0.00 178.16 178.44 1bd3 n PHE 241 N -4.22 0.20 -2.11 -3.82 3.72 -0.14 -4.90 117.46 106.20 1bd3 n PHE 241 Ca -0.09 0.06 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 1bd3 n PHE 241 Cb 0.63 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1bd3 n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bd3 n GLY 242 N 1.45 0.44 2.72 1.37 0.00 0.52 -4.97 105.19 106.71 1bd3 n GLY 242 Ca 0.05 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1bd3 n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bd3 n THR 243 N -3.75 3.32 -0.06 2.61 -2.24 -0.41 -5.02 114.28 108.73 1bd3 n THR 243 Ca -0.01 -4.84 0.00 0.00 -2.27 0.00 0.00 64.05 56.94 1bd3 n THR 243 Cb 0.51 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1bd3 n THR 243 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65