#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 0.71 -0.45 3.69 4.81 -1.99 -0.60 114.58 120.74 1bd3 h GLU 22 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1bd3 h GLU 22 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1bd3 h GLU 22 CO 0.00 0.47 0.06 1.49 -0.73 0.00 0.00 179.01 180.30 1bd3 h GLU 23 N 0.73 0.70 0.73 1.92 4.57 -2.00 -0.03 114.58 121.20 1bd3 h GLU 23 Ca 0.22 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1bd3 h GLU 23 Cb -0.01 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1bd3 h GLU 23 CO -0.05 0.68 -0.35 0.66 -1.18 0.00 0.00 179.01 178.76 1bd3 h SER 24 N 0.67 -0.83 -0.69 1.04 4.64 -1.57 -1.04 113.55 115.78 1bd3 h SER 24 Ca 0.14 0.03 0.13 0.00 -0.47 0.00 0.00 61.79 61.62 1bd3 h SER 24 Cb 0.33 0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 62.50 1bd3 h SER 24 CO 0.01 -0.55 -0.24 0.40 -0.87 0.00 0.00 176.83 175.57 1bd3 h ILE 25 N -1.06 0.23 -0.92 0.95 2.04 -1.33 0.12 117.51 117.53 1bd3 h ILE 25 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1bd3 h ILE 25 Cb 0.75 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1bd3 h ILE 25 CO 0.16 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.83 1bd3 h LEU 26 N -0.06 0.93 -0.75 1.44 3.38 -0.91 -2.10 115.31 117.24 1bd3 h LEU 26 Ca 0.31 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 1bd3 h LEU 26 Cb 0.54 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1bd3 h LEU 26 CO -0.73 0.60 0.29 1.56 0.09 0.00 0.00 178.44 180.25 1bd3 h GLN 27 N 1.07 1.14 0.36 1.13 1.08 0.58 -0.63 115.11 119.85 1bd3 h GLN 27 Ca 0.40 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1bd3 h GLN 27 Cb 0.15 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1bd3 h GLN 27 CO -0.17 0.94 -0.17 0.22 -0.95 0.00 0.00 178.83 178.69 1bd3 h ASP 28 N 1.09 -0.41 -0.17 1.46 3.58 -0.83 0.77 116.42 121.91 1bd3 h ASP 28 Ca 0.25 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.69 1bd3 h ASP 28 Cb 0.24 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1bd3 h ASP 28 CO -0.02 -0.22 0.01 0.40 -2.88 0.00 0.00 179.24 176.53 1bd3 h ILE 29 N -0.57 0.89 -0.82 2.25 1.08 -1.35 0.62 117.51 119.61 1bd3 h ILE 29 Ca -0.05 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1bd3 h ILE 29 Cb 0.43 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 1bd3 h ILE 29 CO 0.08 0.01 0.54 0.40 -0.69 0.00 0.00 178.15 178.49 1bd3 h ILE 30 N 0.07 1.15 0.01 -0.67 1.08 -1.04 0.34 117.51 118.45 1bd3 h ILE 30 Ca 0.08 -0.36 -0.22 0.00 -0.39 0.00 0.00 64.86 63.98 1bd3 h ILE 30 Cb 0.09 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 33.88 1bd3 h ILE 30 CO -0.13 0.19 -0.85 0.74 -0.69 0.00 0.00 178.15 177.41 1bd3 h THR 31 N 1.03 1.35 0.00 -0.27 2.02 0.15 -3.36 112.91 113.84 1bd3 h THR 31 Ca 0.32 -2.19 -0.22 0.00 0.77 0.00 0.00 66.41 65.09 1bd3 h THR 31 Cb 0.00 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1bd3 h THR 31 CO -0.09 0.66 -1.09 0.03 0.37 0.00 0.00 175.52 175.40 1bd3 h ARG 32 N 0.14 0.00 -3.33 6.66 3.08 0.45 -3.41 114.38 117.96 1bd3 h ARG 32 Ca -0.11 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.29 1bd3 h ARG 32 Cb 1.53 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.19 1bd3 h ARG 32 CO 0.17 0.93 -0.52 -0.06 -1.07 0.00 0.00 179.97 179.42 1bd3 s PHE 33 N -2.70 3.38 -0.62 3.04 0.08 0.12 -4.93 117.98 116.35 1bd3 s PHE 33 Ca 0.00 -3.13 0.14 0.00 0.12 0.00 0.00 56.93 54.07 1bd3 s PHE 33 Cb 0.10 -2.90 0.69 0.00 -0.57 0.00 0.00 43.02 40.34 1bd3 s PHE 33 CO 0.82 -0.71 1.44 -0.35 -0.10 0.00 0.00 175.22 176.32 1bd3 n PRO 34 N 2.81 0.09 -0.19 0.24 -0.04 -1.26 -2.31 135.00 134.33 1bd3 n PRO 34 Ca 0.11 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1bd3 n PRO 34 Cb 0.34 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.33 1bd3 n PRO 34 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bd3 n ASN 35 N -1.91 2.96 -4.85 3.54 5.03 -1.26 -4.88 115.26 113.89 1bd3 n ASN 35 Ca 0.00 -1.93 -0.37 0.00 0.87 0.00 0.00 54.58 53.16 1bd3 n ASN 35 Cb 0.08 -0.25 -0.07 0.00 -1.02 0.00 0.00 39.78 38.53 1bd3 n ASN 35 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1bd3 s VAL 36 N -1.50 5.41 -0.23 2.41 -7.23 -0.98 -1.52 120.40 116.76 1bd3 s VAL 36 Ca 0.37 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1bd3 s VAL 36 Cb 0.21 -3.37 0.03 0.00 0.56 0.00 0.00 36.38 33.81 1bd3 s VAL 36 CO 0.29 0.59 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.88 1bd3 s VAL 37 N -0.83 2.54 0.01 1.32 1.01 0.37 -4.96 120.40 119.86 1bd3 s VAL 37 Ca 0.14 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 1bd3 s VAL 37 Cb -0.12 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1bd3 s VAL 37 CO 0.03 0.27 0.45 -0.22 0.00 0.00 0.00 175.10 175.63 1bd3 s LEU 38 N 1.28 4.48 0.49 3.92 0.20 -1.26 -1.13 118.68 126.66 1bd3 s LEU 38 Ca 0.00 1.03 -0.18 0.00 0.69 0.00 0.00 54.13 55.67 1bd3 s LEU 38 Cb -0.16 -2.66 -0.09 0.00 -0.43 0.00 0.00 46.19 42.85 1bd3 s LEU 38 CO -0.07 0.30 0.98 0.00 -0.29 0.00 0.00 176.35 177.27 1bd3 s MET 39 N -1.02 4.00 -0.10 1.98 0.23 -0.10 -4.92 119.30 119.38 1bd3 s MET 39 Ca 0.25 1.06 -0.37 0.00 -1.03 0.00 0.00 55.69 55.60 1bd3 s MET 39 Cb -0.17 -2.14 -0.14 0.00 -1.53 0.00 0.00 34.83 30.84 1bd3 s MET 39 CO 0.15 -0.23 1.72 0.36 -2.03 0.00 0.00 175.02 174.98 1bd3 n LYS 40 N -1.22 1.65 -2.66 3.16 0.00 -1.26 -4.82 118.16 113.00 1bd3 n LYS 40 Ca 0.07 0.60 -0.43 0.00 -0.00 0.00 0.00 58.31 58.55 1bd3 n LYS 40 Cb 0.54 -2.35 -0.01 0.00 -0.00 0.00 0.00 35.03 33.21 1bd3 n LYS 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1bd3 s GLN 41 N 2.97 3.91 0.47 -1.58 -1.52 -1.26 -4.88 119.66 117.76 1bd3 s GLN 41 Ca 0.92 -1.92 -0.02 0.00 -1.95 0.00 0.00 55.36 52.38 1bd3 s GLN 41 Cb -0.87 -5.38 -0.01 0.00 -0.22 0.00 0.00 33.01 26.52 1bd3 s GLN 41 CO 0.54 -2.13 0.73 0.95 -0.25 0.00 0.00 175.29 175.13 1bd3 s THR 42 N 3.81 4.33 0.35 -0.19 -4.23 -1.26 -4.92 115.64 113.54 1bd3 s THR 42 Ca 0.49 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1bd3 s THR 42 Cb 0.02 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1bd3 s THR 42 CO 0.02 -0.53 1.99 0.00 -0.54 0.00 0.00 174.62 175.55 1bd3 h ALA 43 N 0.28 1.62 -0.08 3.99 0.00 -1.99 0.12 119.26 123.20 1bd3 h ALA 43 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1bd3 h ALA 43 Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1bd3 h ALA 43 CO 0.60 0.31 0.01 0.37 0.00 0.00 0.00 179.25 180.53 1bd3 h GLN 44 N 0.81 0.14 -0.32 0.00 5.75 -1.98 0.70 115.11 120.21 1bd3 h GLN 44 Ca 0.27 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1bd3 h GLN 44 Cb 0.07 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 1bd3 h GLN 44 CO -0.08 0.38 0.04 1.25 -2.65 0.00 0.00 178.83 177.77 1bd3 h LEU 45 N -0.13 -0.04 -0.38 -2.39 5.85 -1.64 0.32 115.31 116.90 1bd3 h LEU 45 Ca 0.02 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1bd3 h LEU 45 Cb 0.32 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1bd3 h LEU 45 CO 0.00 0.01 0.21 0.03 -0.34 0.00 0.00 178.44 178.35 1bd3 h ARG 46 N 0.14 0.41 -0.56 1.25 2.47 -0.64 0.16 114.38 117.62 1bd3 h ARG 46 Ca 0.15 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1bd3 h ARG 46 Cb 0.18 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1bd3 h ARG 46 CO -0.22 0.27 0.37 0.00 0.56 0.00 0.00 179.97 180.95 1bd3 h ALA 47 N 1.18 1.61 -0.12 0.04 0.00 0.00 0.59 119.26 122.57 1bd3 h ALA 47 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1bd3 h ALA 47 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1bd3 h ALA 47 CO -0.09 0.36 -0.06 0.52 0.00 0.00 0.00 179.25 179.98 1bd3 h MET 48 N 0.75 0.24 -0.89 0.00 2.86 -0.27 -2.36 114.93 115.26 1bd3 h MET 48 Ca 0.21 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1bd3 h MET 48 Cb -0.07 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 1bd3 h MET 48 CO -0.05 0.58 0.59 0.52 1.06 0.00 0.00 176.91 179.62 1bd3 h MET 49 N -0.11 1.10 -0.04 1.72 2.07 0.39 -1.19 114.93 118.88 1bd3 h MET 49 Ca 0.03 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1bd3 h MET 49 Cb 0.51 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 1bd3 h MET 49 CO 0.02 0.73 -0.15 0.00 1.07 0.00 0.00 176.91 178.58 1bd3 h THR 50 N 1.13 1.13 0.03 2.22 1.03 0.43 -0.91 112.91 117.97 1bd3 h THR 50 Ca 0.35 -0.61 -0.12 0.00 -0.01 0.00 0.00 66.41 66.03 1bd3 h THR 50 Cb -0.01 1.27 0.01 0.00 -1.07 0.00 0.00 68.15 68.35 1bd3 h THR 50 CO -0.10 0.18 -0.47 0.40 -0.01 0.00 0.00 175.52 175.52 1bd3 h ILE 51 N 0.06 1.51 0.00 0.00 1.08 -0.72 -2.81 117.51 116.62 1bd3 h ILE 51 Ca 0.01 -2.14 -0.05 0.00 -0.39 0.00 0.00 64.86 62.29 1bd3 h ILE 51 Cb 0.30 2.84 -0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1bd3 h ILE 51 CO 0.02 0.60 -0.25 0.16 -0.69 0.00 0.00 178.15 177.99 1bd3 h ILE 52 N -0.37 0.79 0.00 -0.67 3.07 -1.23 -2.83 117.51 116.28 1bd3 h ILE 52 Ca -0.07 -1.03 -0.19 0.00 1.55 0.00 0.00 64.86 65.12 1bd3 h ILE 52 Cb 1.25 1.63 -0.03 0.00 -0.27 0.00 0.00 36.82 39.40 1bd3 h ILE 52 CO 0.09 0.25 -0.93 0.03 -1.05 0.00 0.00 178.15 176.54 1bd3 h ARG 53 N 0.00 0.00 -6.39 0.16 3.08 -1.24 -3.46 114.38 106.53 1bd3 h ARG 53 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1bd3 h ARG 53 Cb 0.61 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.69 1bd3 h ARG 53 CO 0.03 0.86 1.08 -3.47 -1.07 0.00 0.00 179.97 177.40 1bd3 n ASP 54 N -3.30 3.69 0.26 7.04 -0.08 -1.06 -4.85 116.55 118.25 1bd3 n ASP 54 Ca -0.01 0.98 0.13 0.00 -1.51 0.00 0.00 54.79 54.38 1bd3 n ASP 54 Cb 0.90 -1.46 0.71 0.00 2.34 0.00 0.00 41.12 43.62 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 8.81 0.00 0.00 -0.67 2.10 -1.88 -2.34 116.57 122.60 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 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1bd3 h LYS 55 CO 0.94 0.12 0.00 0.93 -2.00 0.00 0.00 179.45 179.44 1bd3 h GLU 56 N 0.00 0.00 -6.51 0.07 3.07 -1.93 -3.47 114.58 105.82 1bd3 h GLU 56 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1bd3 h GLU 56 Cb 0.36 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.32 1bd3 h GLU 56 CO 0.02 0.00 0.98 2.41 -1.40 0.00 0.00 179.01 181.01 1bd3 n THR 57 N -2.43 0.19 -2.42 1.13 -1.04 -0.88 -4.97 114.28 103.85 1bd3 n THR 57 Ca 0.05 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.67 1bd3 n THR 57 Cb 0.44 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1bd3 n THR 57 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bd3 s PRO 58 N 1.94 3.85 0.33 -2.82 0.04 -1.26 -4.77 135.00 132.30 1bd3 s PRO 58 Ca 0.81 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.52 1bd3 s PRO 58 Cb -0.59 -2.32 0.95 0.00 0.04 0.00 0.00 34.50 32.59 1bd3 s PRO 58 CO 0.38 -0.42 1.70 1.57 0.04 0.00 0.00 177.00 180.27 1bd3 h LYS 59 N 1.96 0.45 -0.41 4.56 2.10 -1.93 0.93 116.57 124.23 1bd3 h LYS 59 Ca -0.49 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.10 1bd3 h LYS 59 Cb 1.23 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1bd3 h LYS 59 CO 0.60 0.30 0.11 1.05 -2.00 0.00 0.00 179.45 179.51 1bd3 h GLU 60 N 0.47 0.65 -0.49 0.07 9.09 -1.95 -0.10 114.58 122.31 1bd3 h GLU 60 Ca 0.67 -0.15 -0.08 0.00 0.05 0.00 0.00 59.36 59.86 1bd3 h GLU 60 Cb 1.39 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.38 1bd3 h GLU 60 CO -0.53 0.65 0.01 0.93 0.05 0.00 0.00 179.01 180.12 1bd3 h GLU 61 N 0.52 0.86 -0.13 1.06 4.39 -1.57 -0.85 114.58 118.86 1bd3 h GLU 61 Ca 0.13 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1bd3 h GLU 61 Cb 0.29 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1bd3 h GLU 61 CO -0.00 0.89 -0.08 0.35 -1.16 0.00 0.00 179.01 179.01 1bd3 h PHE 62 N 0.72 -0.19 -0.56 4.33 3.04 -0.59 -1.78 116.94 121.91 1bd3 h PHE 62 Ca 0.14 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 1bd3 h PHE 62 Cb 0.49 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 1bd3 h PHE 62 CO 0.04 -0.13 0.28 0.28 -2.02 0.00 0.00 178.31 176.76 1bd3 h VAL 63 N -0.08 1.20 0.11 1.41 2.07 -0.82 -1.42 116.25 118.73 1bd3 h VAL 63 Ca 0.08 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1bd3 h VAL 63 Cb 0.20 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1bd3 h VAL 63 CO -0.18 0.22 -0.08 0.15 0.02 0.00 0.00 177.57 177.70 1bd3 h PHE 64 N 0.76 -0.22 -0.41 1.57 3.57 -0.79 -2.10 116.94 119.32 1bd3 h PHE 64 Ca 0.20 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1bd3 h PHE 64 Cb 0.10 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1bd3 h PHE 64 CO -0.01 -0.13 -0.18 1.88 -2.23 0.00 0.00 178.31 177.64 1bd3 h TYR 65 N -0.20 0.89 -0.60 0.41 0.05 -1.29 -1.51 116.97 114.72 1bd3 h TYR 65 Ca -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 1bd3 h TYR 65 Cb 0.18 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1bd3 h TYR 65 CO -0.10 0.91 0.29 0.00 -1.05 0.00 0.00 178.16 178.21 1bd3 h ALA 66 N 1.09 0.77 -0.67 3.88 0.00 -1.19 -0.10 119.26 123.03 1bd3 h ALA 66 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bd3 h ALA 66 Cb 0.69 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1bd3 h ALA 66 CO 0.05 0.33 0.45 -0.44 0.00 0.00 0.00 179.25 179.64 1bd3 h ASP 67 N 0.82 0.77 -0.56 0.00 3.32 -1.20 0.51 116.42 120.07 1bd3 h ASP 67 Ca 0.21 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1bd3 h ASP 67 Cb 0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1bd3 h ASP 67 CO -0.03 0.56 0.34 -0.09 -1.72 0.00 0.00 179.24 178.31 1bd3 h ARG 68 N 0.91 0.76 -0.39 3.56 2.43 -0.52 -1.75 114.38 119.37 1bd3 h ARG 68 Ca 0.25 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1bd3 h ARG 68 Cb -0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1bd3 h ARG 68 CO -0.05 0.54 -0.10 1.25 -1.51 0.00 0.00 179.97 180.10 1bd3 h LEU 69 N 0.76 0.77 -1.33 3.80 5.85 -0.34 -2.74 115.31 122.07 1bd3 h LEU 69 Ca 0.20 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1bd3 h LEU 69 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1bd3 h LEU 69 CO -0.04 0.95 0.48 0.40 -0.34 0.00 0.00 178.44 179.90 1bd3 h ILE 70 N 0.57 1.08 -0.44 4.05 2.04 0.28 -1.03 117.51 124.08 1bd3 h ILE 70 Ca 0.10 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1bd3 h ILE 70 Cb 0.62 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1bd3 h ILE 70 CO 0.04 0.15 0.26 0.03 0.00 0.00 0.00 178.15 178.64 1bd3 h ARG 71 N 0.85 0.51 -0.49 2.37 2.47 -1.02 0.13 114.38 119.19 1bd3 h ARG 71 Ca 0.30 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.88 1bd3 h ARG 71 Cb 0.11 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1bd3 h ARG 71 CO -0.09 0.34 -0.12 -0.07 0.56 0.00 0.00 179.97 180.59 1bd3 h LEU 72 N 0.53 0.93 -0.29 3.04 3.38 -1.21 -1.76 115.31 119.93 1bd3 h LEU 72 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1bd3 h LEU 72 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1bd3 h LEU 72 CO -0.08 1.05 0.15 0.25 0.09 0.00 0.00 178.44 179.90 1bd3 h LEU 73 N 0.83 0.37 -0.89 1.67 6.46 -0.67 -0.45 115.31 122.62 1bd3 h LEU 73 Ca 0.13 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1bd3 h LEU 73 Cb 0.66 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1bd3 h LEU 73 CO 0.05 0.37 0.48 0.40 -0.62 0.00 0.00 178.44 179.12 1bd3 h ILE 74 N 0.34 1.26 -0.73 4.05 1.08 -0.62 0.39 117.51 123.28 1bd3 h ILE 74 Ca 0.10 -0.65 -0.03 0.00 -0.39 0.00 0.00 64.86 63.89 1bd3 h ILE 74 Cb 0.09 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.87 1bd3 h ILE 74 CO -0.01 0.29 0.33 -0.33 -0.69 0.00 0.00 178.15 177.74 1bd3 h GLU 75 N 1.25 1.07 -0.15 2.37 4.39 -0.90 -0.91 114.58 121.70 1bd3 h GLU 75 Ca 0.31 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1bd3 h GLU 75 Cb 0.04 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1bd3 h GLU 75 CO -0.05 0.85 0.10 1.49 -1.16 0.00 0.00 179.01 180.24 1bd3 h GLU 76 N 1.03 0.20 -0.89 2.33 4.57 -0.16 -2.75 114.58 118.90 1bd3 h GLU 76 Ca 0.25 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.47 1bd3 h GLU 76 Cb 0.16 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 1bd3 h GLU 76 CO -0.03 0.13 0.58 0.00 -1.18 0.00 0.00 179.01 178.51 1bd3 h ALA 77 N 1.06 1.50 0.00 2.92 0.00 -0.51 -1.43 119.26 122.78 1bd3 h ALA 77 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bd3 h ALA 77 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1bd3 h ALA 77 CO -0.01 0.39 0.01 -0.07 0.00 0.00 0.00 179.25 179.57 1bd3 h LEU 78 N 1.04 0.00 0.00 0.00 3.38 -0.86 0.33 115.31 119.20 1bd3 h LEU 78 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1bd3 h LEU 78 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1bd3 h LEU 78 CO -0.13 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.99 1bd3 n ASN 79 N -3.02 0.00 0.02 -0.43 4.13 -0.54 -2.65 115.26 112.77 1bd3 n ASN 79 Ca -0.03 0.29 0.13 0.00 1.68 0.00 0.00 54.58 56.65 1bd3 n ASN 79 Cb 0.08 -0.40 0.51 0.00 -1.54 0.00 0.00 39.78 38.44 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 -1.40 0.05 -1.98 3.52 4.71 0.11 -4.85 120.64 120.80 1bd3 n GLU 80 Ca 0.06 0.04 -0.31 0.00 -0.01 0.00 0.00 57.16 56.93 1bd3 n GLU 80 Cb 0.16 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1bd3 n GLU 80 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1bd3 s LEU 81 N -3.29 3.32 0.40 -4.62 1.43 -1.08 -5.03 118.68 109.80 1bd3 s LEU 81 Ca 0.13 1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 1bd3 s LEU 81 Cb 0.17 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.81 1bd3 s LEU 81 CO 0.57 -0.85 0.94 -2.16 0.23 0.00 0.00 176.35 175.08 1bd3 s PRO 82 N -4.89 4.29 0.07 1.29 0.04 -1.26 -5.07 135.00 129.46 1bd3 s PRO 82 Ca 0.56 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1bd3 s PRO 82 Cb -0.11 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1bd3 s PRO 82 CO 0.48 0.04 -0.04 -0.59 0.04 0.00 0.00 177.00 176.94 1bd3 s PHE 83 N -2.05 0.66 0.00 0.56 -0.12 -1.26 -4.14 117.98 111.62 1bd3 s PHE 83 Ca 0.59 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 1bd3 s PHE 83 Cb -0.11 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 41.84 1bd3 s PHE 83 CO 0.15 -0.29 0.00 1.04 -0.05 0.00 0.00 175.22 176.07 1bd3 n GLN 84 N 0.06 0.00 -3.64 1.99 1.13 0.98 -4.93 117.38 112.96 1bd3 n GLN 84 Ca -0.13 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.89 1bd3 n GLN 84 Cb 0.61 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.89 1bd3 n GLN 84 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1bd3 s LYS 85 N 0.77 0.33 -0.12 -1.09 3.01 -1.26 -4.74 119.74 116.65 1bd3 s LYS 85 Ca 0.00 0.49 -0.09 0.00 -1.01 0.00 0.00 55.97 55.36 1bd3 s LYS 85 Cb 0.00 0.12 0.04 0.00 -1.01 0.00 0.00 37.83 36.97 1bd3 s LYS 85 CO 0.00 -0.05 0.30 0.21 0.51 0.00 0.00 175.35 176.31 1bd3 s LYS 86 N 0.75 0.31 -0.11 1.68 2.20 0.14 -4.73 119.74 119.98 1bd3 s LYS 86 Ca -0.02 0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1bd3 s LYS 86 Cb -0.04 0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1bd3 s LYS 86 CO -0.12 -0.09 -0.03 -2.00 -0.36 0.00 0.00 175.35 172.75 1bd3 s GLU 87 N 0.67 3.22 0.21 4.03 -6.30 -1.26 0.17 118.70 119.44 1bd3 s GLU 87 Ca -0.04 -0.48 0.04 0.00 -2.50 0.00 0.00 54.97 51.98 1bd3 s GLU 87 Cb -0.05 -2.80 -0.05 0.00 0.00 0.00 0.00 34.13 31.22 1bd3 s GLU 87 CO -0.04 0.50 -0.03 0.14 0.02 0.00 0.00 175.26 175.85 1bd3 s VAL 88 N -0.34 1.08 -0.15 3.70 -7.23 -0.24 -4.93 120.40 112.29 1bd3 s VAL 88 Ca 0.06 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1bd3 s VAL 88 Cb -0.12 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1bd3 s VAL 88 CO 0.02 -0.45 -0.06 0.28 -0.31 0.00 0.00 175.10 174.58 1bd3 s THR 89 N -3.39 3.64 0.83 5.32 -1.32 -1.26 0.16 115.64 119.61 1bd3 s THR 89 Ca 0.25 -0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 60.16 1bd3 s THR 89 Cb 0.05 -2.58 0.09 0.00 -1.51 0.00 0.00 72.50 68.54 1bd3 s THR 89 CO 0.06 0.50 1.14 -0.89 -2.21 0.00 0.00 174.62 173.22 1bd3 s THR 90 N 0.39 2.43 0.46 5.08 2.01 0.14 -4.89 115.64 121.26 1bd3 s THR 90 Ca -0.06 0.14 0.27 0.00 0.31 0.00 0.00 61.69 62.35 1bd3 s THR 90 Cb -0.15 -3.00 0.30 0.00 0.01 0.00 0.00 72.50 69.66 1bd3 s THR 90 CO 0.04 -0.18 2.11 -0.65 -0.69 0.00 0.00 174.62 175.24 1bd3 h PRO 91 N -1.16 0.00 0.00 4.92 0.11 -1.99 0.33 132.00 134.21 1bd3 h PRO 91 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bd3 h PRO 91 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1bd3 h PRO 91 CO 0.63 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.79 1bd3 n LEU 92 N -3.76 0.00 -2.14 2.35 7.99 -1.26 -4.82 117.00 115.37 1bd3 n LEU 92 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.77 1bd3 n LEU 92 Cb 0.20 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.48 1bd3 n LEU 92 CO 0.30 0.00 -0.25 0.47 -1.51 0.00 0.00 177.39 176.40 1bd3 n ASP 93 N -0.66 -5.73 -4.57 -1.43 8.00 0.12 -4.99 116.55 107.28 1bd3 n ASP 93 Ca 0.05 0.12 -0.24 0.00 0.71 0.00 0.00 54.79 55.42 1bd3 n ASP 93 Cb 0.02 -4.82 -0.09 0.00 -0.02 0.00 0.00 41.12 36.21 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 -2.95 3.09 0.30 2.53 -7.23 -1.25 -4.88 120.40 110.00 1bd3 s VAL 94 Ca 0.00 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 1bd3 s VAL 94 Cb 0.00 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1bd3 s VAL 94 CO 0.00 -0.30 0.57 -0.94 -0.31 0.00 0.00 175.10 174.11 1bd3 s SER 95 N -3.38 6.44 -0.01 4.85 1.04 -1.26 0.28 113.70 121.66 1bd3 s SER 95 Ca 0.29 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.48 1bd3 s SER 95 Cb -0.07 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 1bd3 s SER 95 CO 0.17 -0.21 -0.11 -0.47 0.98 0.00 0.00 173.24 173.60 1bd3 s TYR 96 N -2.11 1.00 -0.50 5.02 5.04 0.41 -4.86 117.35 121.36 1bd3 s TYR 96 Ca 0.44 -0.20 -0.18 0.00 -2.44 0.00 0.00 57.07 54.70 1bd3 s TYR 96 Cb -0.11 -0.65 0.07 0.00 0.35 0.00 0.00 41.96 41.62 1bd3 s TYR 96 CO 0.30 -0.02 0.53 -1.01 -1.34 0.00 0.00 175.55 174.01 1bd3 s HIS 97 N -0.22 3.13 0.00 4.97 3.76 -1.26 -1.08 115.29 124.59 1bd3 s HIS 97 Ca 0.04 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1bd3 s HIS 97 Cb -0.05 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.23 1bd3 s HIS 97 CO -0.00 -0.95 0.00 0.41 -0.85 0.00 0.00 174.74 173.35 1bd3 n GLY 98 N 5.19 5.74 3.30 -2.22 0.00 0.45 -4.96 105.19 112.69 1bd3 n GLY 98 Ca -0.09 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 1.70 0.09 0.00 1.61 -7.23 -1.25 -0.68 120.40 114.64 1bd3 s VAL 99 Ca 0.00 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1bd3 s VAL 99 Cb 0.00 -1.42 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 1bd3 s VAL 99 CO 0.00 -0.41 0.12 -0.94 -0.31 0.00 0.00 175.10 173.55 1bd3 s SER 100 N -2.87 0.04 -0.24 4.85 1.04 -1.26 -4.71 113.70 110.56 1bd3 s SER 100 Ca 0.07 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 1bd3 s SER 100 Cb 0.03 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1bd3 s SER 100 CO -0.08 -0.35 0.12 -0.36 0.98 0.00 0.00 173.24 173.56 1bd3 s PHE 101 N -1.31 3.22 -0.52 5.02 0.40 -1.26 -0.01 117.98 123.52 1bd3 s PHE 101 Ca -0.14 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1bd3 s PHE 101 Cb -0.08 -2.24 0.20 0.00 0.51 0.00 0.00 43.02 41.42 1bd3 s PHE 101 CO 0.01 -0.07 1.17 2.48 0.70 0.00 0.00 175.22 179.51 1bd3 n TYR 102 N 4.43 0.30 -2.82 0.36 4.11 -1.26 -5.00 117.16 117.29 1bd3 n TYR 102 Ca -0.15 -0.54 -0.30 0.00 -0.00 0.00 0.00 57.90 56.91 1bd3 n TYR 102 Cb 0.52 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.34 39.78 1bd3 n TYR 102 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1bd3 s SER 103 N -1.12 6.47 -0.09 9.48 0.01 -1.26 -5.05 113.70 122.15 1bd3 s SER 103 Ca 0.16 1.09 -0.21 0.00 1.31 0.00 0.00 55.95 58.30 1bd3 s SER 103 Cb 0.09 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1bd3 s SER 103 CO 0.09 -0.43 0.60 -0.54 0.41 0.00 0.00 173.24 173.37 1bd3 s LYS 104 N -4.00 4.39 0.40 12.44 -0.14 -1.26 -5.00 119.74 126.57 1bd3 s LYS 104 Ca 0.50 0.68 0.04 0.00 -1.36 0.00 0.00 55.97 55.84 1bd3 s LYS 104 Cb -0.10 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 1bd3 s LYS 104 CO 0.34 0.09 0.12 0.96 -0.76 0.00 0.00 175.35 176.10 1bd3 s ILE 105 N 0.76 0.65 -0.05 2.17 -4.36 -1.26 -1.02 121.20 118.09 1bd3 s ILE 105 Ca 0.32 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1bd3 s ILE 105 Cb -0.17 -2.40 0.11 0.00 1.25 0.00 0.00 42.46 41.26 1bd3 s ILE 105 CO 0.14 0.00 0.94 0.00 0.24 0.00 0.00 174.94 176.27 1bd3 s GLY 107 N -2.25 1.79 -0.12 0.00 0.00 0.33 -1.27 107.32 105.80 1bd3 s GLY 107 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1bd3 s GLY 107 CO -0.07 -0.90 -0.03 0.14 0.00 0.00 0.00 173.10 172.25 1bd3 s VAL 108 N -1.04 0.75 0.06 1.40 1.01 0.18 0.26 120.40 123.01 1bd3 s VAL 108 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1bd3 s VAL 108 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1bd3 s VAL 108 CO 0.09 0.21 0.17 -0.94 0.00 0.00 0.00 175.10 174.63 1bd3 s SER 109 N 1.81 6.14 -0.45 3.32 1.04 -0.63 -0.50 113.70 124.43 1bd3 s SER 109 Ca 0.03 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.50 1bd3 s SER 109 Cb -0.14 -1.84 0.05 0.00 0.10 0.00 0.00 66.02 64.19 1bd3 s SER 109 CO -0.07 0.18 0.44 -0.63 0.98 0.00 0.00 173.24 174.15 1bd3 s ILE 110 N -1.45 5.11 0.30 -1.02 -1.09 -0.86 -1.78 121.20 120.42 1bd3 s ILE 110 Ca 0.32 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 1bd3 s ILE 110 Cb -0.13 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.53 1bd3 s ILE 110 CO 0.25 -0.54 1.55 -0.69 -1.23 0.00 0.00 174.94 174.28 1bd3 s VAL 111 N 2.02 2.16 -0.20 2.92 1.01 -0.57 0.14 120.40 127.87 1bd3 s VAL 111 Ca 0.09 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1bd3 s VAL 111 Cb -0.20 -3.09 -0.21 0.00 0.00 0.00 0.00 36.38 32.89 1bd3 s VAL 111 CO 0.10 0.02 0.02 0.54 0.00 0.00 0.00 175.10 175.79 1bd3 n ARG 112 N 1.87 0.69 -0.30 2.72 1.74 -1.26 -4.48 116.66 117.63 1bd3 n ARG 112 Ca 0.07 0.21 0.09 0.00 -0.77 0.00 0.00 57.85 57.45 1bd3 n ARG 112 Cb 0.38 -1.60 0.21 0.00 -1.02 0.00 0.00 32.46 30.43 1bd3 n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bd3 h ALA 113 N -0.02 0.94 -0.15 7.54 0.00 -1.92 0.77 119.26 126.43 1bd3 h ALA 113 Ca -0.51 0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1bd3 h ALA 113 Cb 1.93 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1bd3 h ALA 113 CO -0.03 -0.48 0.13 0.78 0.00 0.00 0.00 179.25 179.65 1bd3 h GLY 114 N 0.06 0.00 1.61 0.00 0.00 -0.46 -2.11 103.07 102.17 1bd3 h GLY 114 Ca 0.50 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.86 1bd3 h GLY 114 CO -0.81 0.00 0.21 0.83 0.00 0.00 0.00 176.54 176.77 1bd3 h GLU 115 N 0.00 0.30 -0.10 4.80 5.08 0.45 -1.43 114.58 123.67 1bd3 h GLU 115 Ca 0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1bd3 h GLU 115 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1bd3 h GLU 115 CO -0.00 0.20 0.18 0.66 -1.00 0.00 0.00 179.01 179.05 1bd3 h SER 116 N 0.31 0.00 0.42 1.42 4.64 -1.47 -1.07 113.55 117.81 1bd3 h SER 116 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1bd3 h SER 116 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1bd3 h SER 116 CO -0.03 0.00 -0.48 0.23 -0.87 0.00 0.00 176.83 175.69 1bd3 n MET 117 N -3.43 0.17 0.02 4.77 2.81 -0.54 -4.18 117.12 116.75 1bd3 n MET 117 Ca -0.00 -0.10 0.01 0.00 -1.81 0.00 0.00 57.70 55.80 1bd3 n MET 117 Cb 0.28 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.25 0.47 -0.58 0.03 5.08 -1.29 -2.49 114.58 116.05 1bd3 h GLU 118 Ca 0.00 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1bd3 h GLU 118 Cb 0.50 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1bd3 h GLU 118 CO 0.00 0.49 0.18 0.77 -1.00 0.00 0.00 179.01 179.44 1bd3 h SER 119 N 0.46 0.84 -0.44 1.42 0.02 -1.75 -0.69 113.55 113.41 1bd3 h SER 119 Ca 0.10 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1bd3 h SER 119 Cb 0.27 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1bd3 h SER 119 CO 0.01 0.83 0.18 1.23 -1.14 0.00 0.00 176.83 177.93 1bd3 h GLY 120 N 0.81 0.70 1.01 -3.77 0.00 -1.73 0.16 103.07 100.25 1bd3 h GLY 120 Ca 0.19 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1bd3 h GLY 120 CO -0.00 0.36 0.14 -2.00 0.00 0.00 0.00 176.54 175.03 1bd3 h LEU 121 N 0.56 0.88 -1.45 3.11 5.85 -1.11 -1.64 115.31 121.51 1bd3 h LEU 121 Ca 0.15 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1bd3 h LEU 121 Cb 0.19 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1bd3 h LEU 121 CO -0.01 0.89 -0.10 0.03 -0.34 0.00 0.00 178.44 178.90 1bd3 h ARG 122 N 0.83 0.00 -0.26 1.25 2.47 -0.96 0.10 114.38 117.81 1bd3 h ARG 122 Ca 0.18 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.74 1bd3 h ARG 122 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1bd3 h ARG 122 CO 0.00 0.10 -0.47 0.00 0.56 0.00 0.00 179.97 180.16 1bd3 h ALA 123 N 1.90 0.68 0.00 0.04 0.00 0.02 -3.30 119.26 118.59 1bd3 h ALA 123 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1bd3 h ALA 123 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bd3 h ALA 123 CO 0.01 0.67 -1.81 1.33 0.00 0.00 0.00 179.25 179.46 1bd3 n VAL 124 N -4.01 0.38 -3.86 0.00 0.24 -1.03 -4.67 118.33 105.38 1bd3 n VAL 124 Ca -0.03 -0.57 -0.29 0.00 -2.04 0.00 0.00 64.34 61.41 1bd3 n VAL 124 Cb 0.57 -0.18 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 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 3.04 1.61 -1.45 0.00 3.00 -1.25 -2.10 116.66 119.51 1bd3 n ARG 126 Ca 0.09 0.58 -0.15 0.00 -0.01 0.00 0.00 57.85 58.36 1bd3 n ARG 126 Cb 0.34 -2.29 -0.07 0.00 0.00 0.00 0.00 32.46 30.45 1bd3 n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bd3 n GLY 127 N 2.96 1.51 3.76 -0.13 0.00 -1.26 -4.95 105.19 107.07 1bd3 n GLY 127 Ca 0.18 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bd3 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd3 s VAL 128 N -2.40 2.07 0.32 1.61 0.11 -0.89 -4.92 120.40 116.29 1bd3 s VAL 128 Ca 0.00 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.82 1bd3 s VAL 128 Cb 0.00 -3.03 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 1bd3 s VAL 128 CO 0.00 0.00 1.17 -0.13 -3.33 0.00 0.00 175.10 172.81 1bd3 s ARG 129 N -2.70 4.45 -0.14 1.54 0.52 -1.26 -4.89 118.95 116.47 1bd3 s ARG 129 Ca 0.67 1.92 0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1bd3 s ARG 129 Cb -0.42 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.02 1bd3 s ARG 129 CO 0.52 -0.00 -0.16 0.42 0.02 0.00 0.00 175.30 176.10 1bd3 s ILE 130 N -1.21 1.66 0.22 1.52 -1.09 -1.26 -0.52 121.20 120.52 1bd3 s ILE 130 Ca 0.48 -0.70 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1bd3 s ILE 130 Cb -0.34 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 1bd3 s ILE 130 CO 0.44 0.47 0.29 -0.83 -1.23 0.00 0.00 174.94 174.08 1bd3 s GLY 131 N 1.29 1.38 -0.00 6.18 0.00 0.14 -4.83 107.32 111.48 1bd3 s GLY 131 Ca 0.01 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1bd3 s GLY 131 CO -0.08 -1.25 -0.10 0.54 0.00 0.00 0.00 173.10 172.21 1bd3 s LYS 132 N -3.74 0.78 -0.08 2.90 1.02 -0.35 -1.60 119.74 118.68 1bd3 s LYS 132 Ca 0.34 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 1bd3 s LYS 132 Cb -0.09 -0.75 0.03 0.00 -0.52 0.00 0.00 37.83 36.50 1bd3 s LYS 132 CO 0.28 0.20 0.02 0.42 -0.92 0.00 0.00 175.35 175.35 1bd3 s ILE 133 N -0.30 0.30 -0.30 2.17 1.01 -0.73 -1.09 121.20 122.25 1bd3 s ILE 133 Ca 0.03 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 1bd3 s ILE 133 Cb -0.04 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1bd3 s ILE 133 CO -0.00 0.20 0.15 -0.22 0.00 0.00 0.00 174.94 175.07 1bd3 s LEU 134 N 2.00 4.04 -0.08 2.97 2.96 0.17 -1.51 118.68 129.25 1bd3 s LEU 134 Ca 0.04 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1bd3 s LEU 134 Cb -0.13 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1bd3 s LEU 134 CO -0.05 -0.16 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.97 1bd3 s ILE 135 N 1.64 2.27 0.03 6.68 1.09 -1.26 -0.20 121.20 131.45 1bd3 s ILE 135 Ca 0.05 -0.97 0.03 0.00 -1.10 0.00 0.00 60.65 58.66 1bd3 s ILE 135 Cb -0.17 -1.86 -0.02 0.00 -1.06 0.00 0.00 42.46 39.36 1bd3 s ILE 135 CO 0.07 0.56 -0.09 -1.58 -0.10 0.00 0.00 174.94 173.80 1bd3 s GLN 136 N 0.00 0.66 0.02 2.79 0.74 -0.23 -4.92 119.66 118.72 1bd3 s GLN 136 Ca -0.08 -0.58 -0.25 0.00 0.05 0.00 0.00 55.36 54.50 1bd3 s GLN 136 Cb -0.15 -0.58 -0.05 0.00 1.10 0.00 0.00 33.01 33.33 1bd3 s GLN 136 CO 0.05 0.14 0.78 1.03 -0.55 0.00 0.00 175.29 176.74 1bd3 s ARG 137 N -0.96 4.49 0.18 1.67 0.52 -1.26 -0.93 118.95 122.67 1bd3 s ARG 137 Ca -0.02 1.07 -0.33 0.00 -0.52 0.00 0.00 55.73 55.93 1bd3 s ARG 137 Cb -0.07 -3.39 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 1bd3 s ARG 137 CO 0.00 0.20 1.61 -3.47 0.02 0.00 0.00 175.30 173.67 1bd3 n ASP 138 N 3.15 3.38 0.11 0.23 -0.08 0.22 -4.79 116.55 118.76 1bd3 n ASP 138 Ca -0.01 1.08 0.08 0.00 -1.51 0.00 0.00 54.79 54.43 1bd3 n ASP 138 Cb 0.51 -1.48 0.41 0.00 2.34 0.00 0.00 41.12 42.90 1bd3 n ASP 138 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bd3 n GLU 139 N 3.48 0.10 -0.03 -0.67 1.02 -1.26 0.10 120.64 123.38 1bd3 n GLU 139 Ca 0.16 0.57 -0.08 0.00 -0.02 0.00 0.00 57.16 57.79 1bd3 n GLU 139 Cb 0.31 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1bd3 n GLU 139 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1bd3 n THR 140 N -2.02 1.03 0.25 2.62 -1.04 -1.26 -4.70 114.28 109.16 1bd3 n THR 140 Ca -0.01 0.08 0.13 0.00 -2.04 0.00 0.00 64.05 62.21 1bd3 n THR 140 Cb 0.05 -1.80 0.61 0.00 -1.82 0.00 0.00 70.33 67.37 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 -0.43 0.40 0.00 12.58 2.02 -1.94 -3.47 112.91 122.06 1bd3 h THR 141 Ca -0.14 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1bd3 h THR 141 Cb 0.83 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1bd3 h THR 141 CO -0.09 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1bd3 n ALA 142 N -2.20 0.00 -2.52 6.16 0.00 0.28 -4.90 120.51 117.33 1bd3 n ALA 142 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1bd3 n ALA 142 Cb 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1bd3 n ALA 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1bd3 s GLU 143 N -0.26 3.61 -0.11 0.00 4.04 -1.26 -4.48 118.70 120.24 1bd3 s GLU 143 Ca 0.00 -0.02 -0.30 0.00 0.04 0.00 0.00 54.97 54.69 1bd3 s GLU 143 Cb 0.00 -2.64 -0.02 0.00 0.02 0.00 0.00 34.13 31.49 1bd3 s GLU 143 CO 0.00 0.19 1.21 -2.14 -1.84 0.00 0.00 175.26 172.68 1bd3 s PRO 144 N -3.67 4.30 0.09 -4.83 0.02 -1.26 0.71 135.00 130.37 1bd3 s PRO 144 Ca 0.44 1.64 0.09 0.00 0.02 0.00 0.00 61.00 63.18 1bd3 s PRO 144 Cb -0.11 -3.64 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 1bd3 s PRO 144 CO 0.31 -0.55 -0.23 0.15 -0.33 0.00 0.00 177.00 176.36 1bd3 s LYS 145 N 2.74 1.28 -0.29 5.54 -0.14 -0.11 -4.94 119.74 123.83 1bd3 s LYS 145 Ca 0.55 -1.15 -0.25 0.00 -1.36 0.00 0.00 55.97 53.76 1bd3 s LYS 145 Cb -0.23 -1.56 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1bd3 s LYS 145 CO 0.18 0.38 0.85 -1.17 -0.76 0.00 0.00 175.35 174.82 1bd3 s LEU 146 N -1.75 4.07 -0.16 3.17 2.96 -1.26 -1.07 118.68 124.64 1bd3 s LEU 146 Ca 0.09 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 1bd3 s LEU 146 Cb -0.10 -3.19 -0.23 0.00 0.50 0.00 0.00 46.19 43.18 1bd3 s LEU 146 CO 0.04 -0.62 0.21 -0.38 -1.32 0.00 0.00 176.35 174.28 1bd3 n ILE 147 N 5.48 1.59 -3.56 6.68 -0.00 0.72 -4.96 119.36 125.31 1bd3 n ILE 147 Ca 0.06 -0.70 -0.16 0.00 -0.00 0.00 0.00 62.75 61.94 1bd3 n ILE 147 Cb 0.48 -1.25 -0.06 0.00 -0.00 0.00 0.00 39.64 38.80 1bd3 n ILE 147 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1bd3 s TYR 148 N -2.54 -0.70 -0.07 1.39 5.04 -1.06 -4.99 117.35 114.42 1bd3 s TYR 148 Ca -0.20 1.41 -0.18 0.00 -2.44 0.00 0.00 57.07 55.66 1bd3 s TYR 148 Cb 0.07 0.35 0.04 0.00 0.35 0.00 0.00 41.96 42.78 1bd3 s TYR 148 CO 0.75 -0.52 0.43 -1.83 -1.34 0.00 0.00 175.55 173.03 1bd3 s GLU 149 N -0.61 0.71 -0.29 4.97 4.04 -1.26 0.47 118.70 126.73 1bd3 s GLU 149 Ca -0.07 0.15 0.01 0.00 0.04 0.00 0.00 54.97 55.10 1bd3 s GLU 149 Cb -0.02 0.33 0.15 0.00 0.02 0.00 0.00 34.13 34.61 1bd3 s GLU 149 CO 0.07 -0.18 0.37 0.21 -1.84 0.00 0.00 175.26 173.89 1bd3 s LYS 150 N -0.83 0.38 0.30 -4.83 2.36 -0.25 -4.99 119.74 111.88 1bd3 s LYS 150 Ca -0.09 0.07 0.10 0.00 -2.55 0.00 0.00 55.97 53.50 1bd3 s LYS 150 Cb -0.04 -0.44 -0.06 0.00 -1.05 0.00 0.00 37.83 36.25 1bd3 s LYS 150 CO 0.04 -1.00 -0.14 -0.51 1.55 0.00 0.00 175.35 175.29 1bd3 s LEU 151 N 2.48 2.64 0.37 5.43 1.43 -1.26 -1.21 118.68 128.56 1bd3 s LEU 151 Ca 0.10 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 51.80 1bd3 s LEU 151 Cb -0.13 -0.99 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 1bd3 s LEU 151 CO -0.30 -0.12 1.29 -2.16 0.23 0.00 0.00 176.35 175.29 1bd3 s PRO 152 N -3.58 4.18 0.50 1.29 0.04 -1.26 -4.90 135.00 131.26 1bd3 s PRO 152 Ca 0.31 2.15 0.19 0.00 0.04 0.00 0.00 61.00 63.68 1bd3 s PRO 152 Cb -0.01 -2.91 1.24 0.00 0.04 0.00 0.00 34.50 32.86 1bd3 s PRO 152 CO 0.15 -0.31 2.03 0.00 0.04 0.00 0.00 177.00 178.91 1bd3 h ALA 153 N 3.04 2.22 -0.50 8.56 0.00 -2.03 -2.40 119.26 128.16 1bd3 h ALA 153 Ca -0.49 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 1bd3 h ALA 153 Cb 1.23 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1bd3 h ALA 153 CO 0.64 -0.33 0.11 -0.40 0.00 0.00 0.00 179.25 179.28 1bd3 n ASP 154 N -4.45 3.22 -0.05 0.00 5.75 -1.26 -4.65 116.55 115.12 1bd3 n ASP 154 Ca 0.07 -3.55 0.23 0.00 -0.01 0.00 0.00 54.79 51.52 1bd3 n ASP 154 Cb 0.40 -0.67 0.70 0.00 -1.03 0.00 0.00 41.12 40.52 1bd3 n ASP 154 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1bd3 h ILE 155 N 1.32 0.68 -0.38 2.12 2.10 -1.81 0.17 117.51 121.71 1bd3 h ILE 155 Ca 0.27 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.32 1bd3 h ILE 155 Cb 1.93 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 1bd3 h ILE 155 CO 0.54 0.00 0.31 0.08 -1.08 0.00 0.00 178.15 178.00 1bd3 h ARG 156 N 0.00 0.00 -0.61 2.19 0.11 -1.82 -1.00 114.38 113.24 1bd3 h ARG 156 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 1bd3 h ARG 156 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1bd3 h ARG 156 CO -0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1bd3 n GLU 157 N -4.16 2.94 -4.46 0.08 1.02 0.60 -4.52 120.64 112.15 1bd3 n GLU 157 Ca 0.06 -2.20 -0.22 0.00 -0.02 0.00 0.00 57.16 54.78 1bd3 n GLU 157 Cb 0.49 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 1bd3 n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bd3 s ARG 158 N -1.64 1.70 0.01 3.49 0.52 -0.38 -4.72 118.95 117.93 1bd3 s ARG 158 Ca 0.40 -1.97 -0.23 0.00 -0.52 0.00 0.00 55.73 53.41 1bd3 s ARG 158 Cb 0.24 -0.75 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 1bd3 s ARG 158 CO 0.21 -0.28 0.68 -1.58 0.02 0.00 0.00 175.30 174.36 1bd3 s TRP 159 N -3.32 3.69 -0.22 -0.53 0.52 -0.19 -4.79 118.94 114.10 1bd3 s TRP 159 Ca 0.33 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.71 1bd3 s TRP 159 Cb 0.07 -2.72 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1bd3 s TRP 159 CO 0.15 0.28 0.02 0.08 0.02 0.00 0.00 176.95 177.51 1bd3 s VAL 160 N -0.01 4.05 -0.58 4.03 1.01 -0.01 -1.91 120.40 126.99 1bd3 s VAL 160 Ca 0.35 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1bd3 s VAL 160 Cb -0.19 -2.86 0.09 0.00 0.00 0.00 0.00 36.38 33.42 1bd3 s VAL 160 CO 0.20 0.40 0.71 -0.32 0.00 0.00 0.00 175.10 176.08 1bd3 s MET 161 N 1.24 3.06 -0.23 2.72 1.75 -0.39 0.09 119.30 127.54 1bd3 s MET 161 Ca 0.04 -1.20 -0.22 0.00 -1.25 0.00 0.00 55.69 53.06 1bd3 s MET 161 Cb -0.15 -4.23 -0.02 0.00 2.84 0.00 0.00 34.83 33.28 1bd3 s MET 161 CO 0.02 -1.49 0.68 -1.17 -0.65 0.00 0.00 175.02 172.40 1bd3 s LEU 162 N 2.77 4.09 -0.23 4.11 2.96 0.17 -0.64 118.68 131.91 1bd3 s LEU 162 Ca 0.13 0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 1bd3 s LEU 162 Cb -0.23 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 1bd3 s LEU 162 CO 0.08 -0.37 0.04 -0.76 -1.32 0.00 0.00 176.35 174.01 1bd3 s LEU 163 N 2.39 3.33 -0.30 -0.68 1.43 0.35 -0.07 118.68 125.12 1bd3 s LEU 163 Ca 0.29 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1bd3 s LEU 163 Cb -0.16 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 44.37 1bd3 s LEU 163 CO 0.09 -0.00 0.65 -0.62 0.23 0.00 0.00 176.35 176.70 1bd3 s ASP 164 N 1.41 -1.26 0.43 2.29 2.15 -1.11 -2.02 116.67 118.56 1bd3 s ASP 164 Ca 0.05 0.95 0.13 0.00 0.43 0.00 0.00 52.55 54.11 1bd3 s ASP 164 Cb -0.15 2.12 1.00 0.00 -0.30 0.00 0.00 42.92 45.59 1bd3 s ASP 164 CO 0.02 -0.24 1.97 -0.65 -0.17 0.00 0.00 175.17 176.11 1bd3 h PRO 165 N 7.99 0.43 -6.69 4.34 0.11 -1.81 -3.38 132.00 132.98 1bd3 h PRO 165 Ca -0.21 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 1bd3 h PRO 165 Cb 1.15 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 31.97 1bd3 h PRO 165 CO 0.20 0.28 -0.83 -1.64 -0.21 0.00 0.00 178.00 175.81 1bd3 s MET 166 N -5.42 1.54 -0.30 1.05 -1.94 -1.26 -0.72 119.30 112.25 1bd3 s MET 166 Ca -0.08 -1.44 -0.02 0.00 -1.71 0.00 0.00 55.69 52.44 1bd3 s MET 166 Cb 0.20 -1.90 0.12 0.00 2.01 0.00 0.00 34.83 35.25 1bd3 s MET 166 CO 0.75 0.42 0.19 0.00 -0.01 0.00 0.00 175.02 176.38 1bd3 n ALA 168 N 5.13 0.00 0.54 0.00 0.00 -1.26 -1.34 120.51 123.58 1bd3 n ALA 168 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1bd3 n ALA 168 Cb 0.43 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.10 1bd3 n ALA 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bd3 h THR 169 N 0.00 0.00 -0.08 0.00 1.35 -1.93 -2.65 112.91 109.60 1bd3 h THR 169 Ca 0.00 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.28 1bd3 h THR 169 Cb 0.00 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1bd3 h THR 169 CO 0.00 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.24 1bd3 n ALA 170 N -1.85 -0.03 0.01 6.62 0.00 -1.26 -4.57 120.51 119.43 1bd3 n ALA 170 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1bd3 n ALA 170 Cb 0.45 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 0.03 0.83 0.00 0.00 -1.96 -0.47 103.07 101.50 1bd3 h GLY 171 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1bd3 h GLY 171 CO 0.05 0.02 -0.03 1.48 0.00 0.00 0.00 176.54 178.06 1bd3 h SER 172 N -0.15 -0.07 -0.92 0.19 4.64 -1.98 -1.70 113.55 113.56 1bd3 h SER 172 Ca 0.01 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1bd3 h SER 172 Cb 0.18 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1bd3 h SER 172 CO -0.00 0.11 0.56 1.62 -0.87 0.00 0.00 176.83 178.25 1bd3 h VAL 173 N -0.25 1.25 -0.73 0.95 3.04 -1.94 -0.24 116.25 118.32 1bd3 h VAL 173 Ca -0.01 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.13 1bd3 h VAL 173 Cb 0.22 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.41 1bd3 h VAL 173 CO 0.01 0.26 0.38 0.00 -1.01 0.00 0.00 177.57 177.21 1bd3 h LYS 175 N 1.03 0.88 -0.63 0.00 1.63 -0.31 -0.86 116.57 118.31 1bd3 h LYS 175 Ca 0.26 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1bd3 h LYS 175 Cb 0.06 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1bd3 h LYS 175 CO -0.04 0.94 0.40 0.00 -3.45 0.00 0.00 179.45 177.30 1bd3 h ALA 176 N 0.91 0.82 -0.72 5.00 0.00 -0.38 -1.45 119.26 123.43 1bd3 h ALA 176 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1bd3 h ALA 176 Cb 0.57 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1bd3 h ALA 176 CO 0.03 0.16 0.33 0.82 0.00 0.00 0.00 179.25 180.60 1bd3 h ILE 177 N 0.79 1.24 -0.37 0.00 2.04 -0.68 -2.13 117.51 118.41 1bd3 h ILE 177 Ca 0.25 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1bd3 h ILE 177 Cb -0.01 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1bd3 h ILE 177 CO -0.09 0.29 0.11 -0.08 0.00 0.00 0.00 178.15 178.38 1bd3 h GLU 178 N 1.02 0.24 -0.81 2.37 4.81 -0.23 -0.92 114.58 121.06 1bd3 h GLU 178 Ca 0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1bd3 h GLU 178 Cb 0.15 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1bd3 h GLU 178 CO -0.03 0.16 0.52 -0.39 -0.73 0.00 0.00 179.01 178.54 1bd3 h VAL 179 N 0.25 1.22 -0.77 0.32 -1.51 -0.96 -1.56 116.25 113.24 1bd3 h VAL 179 Ca 0.17 -0.43 -0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1bd3 h VAL 179 Cb 0.17 0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.34 1bd3 h VAL 179 CO -0.19 0.22 0.36 -0.07 -1.23 0.00 0.00 177.57 176.66 1bd3 h LEU 180 N 1.11 1.02 -1.45 4.19 -0.00 -0.84 -2.22 115.31 117.12 1bd3 h LEU 180 Ca 0.30 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1bd3 h LEU 180 Cb -0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.30 1bd3 h LEU 180 CO -0.06 0.87 -0.14 -0.07 -0.00 0.00 0.00 178.44 179.04 1bd3 h LEU 181 N 1.09 0.17 -1.23 1.67 3.38 -0.64 -1.63 115.31 118.12 1bd3 h LEU 181 Ca 0.26 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1bd3 h LEU 181 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bd3 h LEU 181 CO -0.03 0.34 -0.15 -0.09 0.09 0.00 0.00 178.44 178.59 1bd3 h ARG 182 N 0.17 0.00 -0.01 1.13 2.43 -0.69 -2.07 114.38 115.34 1bd3 h ARG 182 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1bd3 h ARG 182 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1bd3 h ARG 182 CO 0.02 0.15 -0.19 1.28 -1.51 0.00 0.00 179.97 179.72 1bd3 n LEU 183 N -3.31 0.82 0.00 3.80 4.32 -0.68 -4.92 117.00 117.02 1bd3 n LEU 183 Ca 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1bd3 n LEU 183 Cb 0.39 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1bd3 n LEU 183 CO 0.31 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 1bd3 n GLY 184 N 1.31 0.78 3.77 -0.72 0.00 -0.78 -4.57 105.19 104.98 1bd3 n GLY 184 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1bd3 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bd3 s VAL 185 N -2.00 2.79 -0.04 1.61 1.01 -0.78 -4.73 120.40 118.26 1bd3 s VAL 185 Ca 0.00 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 1bd3 s VAL 185 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1bd3 s VAL 185 CO 0.00 0.18 0.89 -0.54 0.00 0.00 0.00 175.10 175.62 1bd3 s LYS 186 N -1.81 4.50 0.25 2.72 3.01 -1.26 -4.47 119.74 122.68 1bd3 s LYS 186 Ca 0.49 1.23 -0.03 0.00 -1.01 0.00 0.00 55.97 56.65 1bd3 s LYS 186 Cb -0.39 -3.47 0.51 0.00 -1.01 0.00 0.00 37.83 33.48 1bd3 s LYS 186 CO 0.51 -0.05 1.70 1.49 0.51 0.00 0.00 175.35 179.52 1bd3 h GLU 187 N 6.84 0.34 0.00 1.68 4.81 -1.93 0.28 114.58 126.59 1bd3 h GLU 187 Ca -0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1bd3 h GLU 187 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1bd3 h GLU 187 CO 0.76 0.22 0.00 -0.85 -0.73 0.00 0.00 179.01 178.42 1bd3 n GLU 188 N -5.09 0.48 -0.27 1.92 0.00 -1.26 -2.60 120.64 113.82 1bd3 n GLU 188 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.38 1bd3 n GLU 188 Cb 0.48 -1.45 0.19 0.00 0.00 0.00 0.00 31.44 30.67 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 -0.95 2.93 -3.84 3.44 1.74 0.98 -4.89 116.66 116.06 1bd3 n ARG 189 Ca 0.10 -2.30 -0.35 0.00 -0.77 0.00 0.00 57.85 54.53 1bd3 n ARG 189 Cb 0.05 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.51 5.16 -0.28 0.55 1.01 -1.07 -0.83 121.20 124.23 1bd3 s ILE 190 Ca 0.30 0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1bd3 s ILE 190 Cb 0.19 -3.35 0.07 0.00 0.01 0.00 0.00 42.46 39.38 1bd3 s ILE 190 CO 0.15 0.45 -0.06 -0.63 0.00 0.00 0.00 174.94 174.85 1bd3 s ILE 191 N 0.36 2.37 -0.40 2.92 1.01 0.11 -2.09 121.20 125.49 1bd3 s ILE 191 Ca 0.06 -1.71 -0.27 0.00 0.00 0.00 0.00 60.65 58.74 1bd3 s ILE 191 Cb -0.12 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1bd3 s ILE 191 CO -0.01 -0.15 0.99 0.12 0.00 0.00 0.00 174.94 175.89 1bd3 s PHE 192 N 1.10 3.01 -0.27 3.97 5.36 0.52 -0.65 117.98 131.02 1bd3 s PHE 192 Ca -0.05 0.74 -0.12 0.00 -0.96 0.00 0.00 56.93 56.55 1bd3 s PHE 192 Cb -0.20 -3.87 -0.05 0.00 -0.34 0.00 0.00 43.02 38.57 1bd3 s PHE 192 CO -0.05 -0.96 0.22 0.08 -1.46 0.00 0.00 175.22 173.06 1bd3 s VAL 193 N 3.74 5.29 0.04 3.12 1.01 0.89 -0.57 120.40 133.93 1bd3 s VAL 193 Ca 0.41 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1bd3 s VAL 193 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1bd3 s VAL 193 CO 0.22 0.25 -0.05 0.21 0.00 0.00 0.00 175.10 175.73 1bd3 s ASN 194 N 1.62 0.59 -0.16 3.32 3.84 0.00 -2.75 114.94 121.40 1bd3 s ASN 194 Ca 0.09 -0.71 -0.13 0.00 0.21 0.00 0.00 52.86 52.32 1bd3 s ASN 194 Cb -0.16 0.11 -0.06 0.00 -0.55 0.00 0.00 41.25 40.59 1bd3 s ASN 194 CO 0.10 -0.38 -0.18 -0.38 -2.79 0.00 0.00 177.10 173.47 1bd3 n ILE 195 N 0.95 1.45 -5.05 -5.21 5.41 -0.37 -2.96 119.36 113.57 1bd3 n ILE 195 Ca -0.19 0.15 -0.28 0.00 1.00 0.00 0.00 62.75 63.43 1bd3 n ILE 195 Cb 0.57 -2.32 -0.16 0.00 -0.71 0.00 0.00 39.64 37.02 1bd3 n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1bd3 s LEU 196 N -8.09 2.03 0.05 1.39 0.20 0.10 -1.47 118.68 112.89 1bd3 s LEU 196 Ca -0.20 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 1bd3 s LEU 196 Cb 0.03 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 1bd3 s LEU 196 CO 0.32 0.25 -0.02 0.00 -0.29 0.00 0.00 176.35 176.61 1bd3 s ALA 197 N -0.41 0.41 0.13 5.97 0.00 -0.92 -1.37 121.76 125.57 1bd3 s ALA 197 Ca 0.06 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.99 1bd3 s ALA 197 Cb -0.09 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1bd3 s ALA 197 CO -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 175.76 175.44 1bd3 s ALA 198 N -3.54 3.32 0.26 0.00 0.00 -0.45 -0.04 121.76 121.32 1bd3 s ALA 198 Ca 0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 1bd3 s ALA 198 Cb 0.05 -1.17 0.37 0.00 0.00 0.00 0.00 23.12 22.37 1bd3 s ALA 198 CO -0.09 0.61 1.90 -1.35 0.00 0.00 0.00 175.76 176.83 1bd3 h PRO 199 N 3.04 1.19 -0.65 0.00 0.11 -1.84 -2.04 132.00 131.81 1bd3 h PRO 199 Ca -0.47 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1bd3 h PRO 199 Cb 1.18 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1bd3 h PRO 199 CO 0.60 0.79 0.25 -0.56 -0.21 0.00 0.00 178.00 178.86 1bd3 h GLN 200 N 1.23 0.96 -0.03 1.05 3.07 -1.93 -0.07 115.11 119.38 1bd3 h GLN 200 Ca 0.42 -0.16 -0.00 0.00 0.09 0.00 0.00 58.65 58.99 1bd3 h GLN 200 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 27.48 1bd3 h GLN 200 CO -0.15 0.79 0.01 0.78 0.09 0.00 0.00 178.83 180.35 1bd3 h GLY 201 N 1.03 0.04 0.55 0.06 0.00 -1.00 0.81 103.07 104.56 1bd3 h GLY 201 Ca 0.22 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1bd3 h GLY 201 CO -0.02 0.02 0.22 -2.22 0.00 0.00 0.00 176.54 174.55 1bd3 h ILE 202 N -0.07 0.86 -0.14 2.60 2.04 -1.06 -0.31 117.51 121.43 1bd3 h ILE 202 Ca 0.01 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1bd3 h ILE 202 Cb 0.11 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1bd3 h ILE 202 CO -0.00 0.08 -0.01 -0.33 0.00 0.00 0.00 178.15 177.88 1bd3 h GLU 203 N 0.43 0.03 -0.26 2.37 5.08 -0.63 -2.49 114.58 119.10 1bd3 h GLU 203 Ca 0.26 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1bd3 h GLU 203 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1bd3 h GLU 203 CO -0.23 0.02 0.12 -0.09 -1.00 0.00 0.00 179.01 177.83 1bd3 h ARG 204 N 0.03 0.26 -0.64 2.33 2.43 0.05 -0.69 114.38 118.14 1bd3 h ARG 204 Ca 0.07 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1bd3 h ARG 204 Cb 0.09 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.49 1bd3 h ARG 204 CO -0.12 0.17 0.15 0.28 -1.51 0.00 0.00 179.97 178.94 1bd3 h VAL 205 N 0.27 0.62 0.00 0.20 2.07 -0.84 -0.72 116.25 117.85 1bd3 h VAL 205 Ca 0.11 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1bd3 h VAL 205 Cb 0.04 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1bd3 h VAL 205 CO -0.08 0.05 -0.20 -0.26 0.02 0.00 0.00 177.57 177.10 1bd3 h PHE 206 N 0.28 0.00 -0.13 1.57 0.04 -1.17 0.58 116.94 118.10 1bd3 h PHE 206 Ca 0.34 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 1bd3 h PHE 206 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1bd3 h PHE 206 CO -0.24 0.20 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.43 1bd3 h LYS 207 N 0.00 0.24 0.13 1.51 3.64 0.31 -2.89 116.57 119.50 1bd3 h LYS 207 Ca -0.00 -0.08 -0.29 0.00 -1.27 0.00 0.00 60.65 59.00 1bd3 h LYS 207 Cb 0.92 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1bd3 h LYS 207 CO 0.03 0.50 -1.41 0.93 -2.27 0.00 0.00 179.45 177.23 1bd3 h GLU 208 N -0.05 0.27 -2.30 1.90 5.08 -1.11 -3.41 114.58 114.96 1bd3 h GLU 208 Ca 0.03 -0.46 -0.58 0.00 -1.00 0.00 0.00 59.36 57.35 1bd3 h GLU 208 Cb 0.41 0.17 -0.39 0.00 0.50 0.00 0.00 28.75 29.44 1bd3 h GLU 208 CO 0.01 1.17 -0.96 0.66 -1.00 0.00 0.00 179.01 178.89 1bd3 n TYR 209 N -3.49 -0.04 0.16 4.33 4.01 0.20 -4.96 117.16 117.36 1bd3 n TYR 209 Ca -0.13 -3.54 0.17 0.00 -0.16 0.00 0.00 57.90 54.24 1bd3 n TYR 209 Cb 1.04 -0.08 0.77 0.00 -0.31 0.00 0.00 39.34 40.75 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 4.96 0.00 -0.04 -0.72 0.13 -1.67 -2.88 132.00 131.79 1bd3 h PRO 210 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1bd3 h PRO 210 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1bd3 h PRO 210 CO 0.46 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.86 1bd3 n LYS 211 N -4.03 1.57 -1.87 0.86 5.02 -1.26 -4.93 118.16 113.52 1bd3 n LYS 211 Ca 0.03 -0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 55.20 1bd3 n LYS 211 Cb 0.38 -1.46 0.11 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.97 2.00 0.13 -0.18 -7.23 -1.09 -4.07 120.40 107.99 1bd3 s VAL 212 Ca 0.38 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.65 1bd3 s VAL 212 Cb 0.20 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1bd3 s VAL 212 CO 0.33 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.76 1bd3 s ARG 213 N -5.60 1.60 -0.04 4.82 0.52 -0.89 -4.86 118.95 114.50 1bd3 s ARG 213 Ca 0.64 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1bd3 s ARG 213 Cb -0.10 -2.01 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1bd3 s ARG 213 CO 0.50 0.46 -0.06 1.41 0.02 0.00 0.00 175.30 177.63 1bd3 s MET 214 N -2.13 0.96 -0.13 3.54 1.75 -0.58 -0.35 119.30 122.35 1bd3 s MET 214 Ca 0.16 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1bd3 s MET 214 Cb -0.10 -0.91 -0.00 0.00 2.84 0.00 0.00 34.83 36.66 1bd3 s MET 214 CO 0.08 -0.03 -0.17 0.08 -0.65 0.00 0.00 175.02 174.33 1bd3 s VAL 215 N 0.74 2.61 0.11 10.11 1.01 0.27 -0.48 120.40 134.78 1bd3 s VAL 215 Ca -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1bd3 s VAL 215 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1bd3 s VAL 215 CO 0.01 0.53 0.05 0.28 0.00 0.00 0.00 175.10 175.97 1bd3 s THR 216 N 0.55 0.13 -0.18 3.92 -1.32 -0.28 -0.82 115.64 117.64 1bd3 s THR 216 Ca -0.10 -1.85 0.20 0.00 -1.21 0.00 0.00 61.69 58.73 1bd3 s THR 216 Cb -0.16 -1.90 -0.29 0.00 -1.51 0.00 0.00 72.50 68.65 1bd3 s THR 216 CO 0.04 -0.59 0.50 0.00 -2.21 0.00 0.00 174.62 172.36 1bd3 n ALA 217 N -0.05 3.04 -3.48 11.08 0.00 -0.80 -0.92 120.51 129.38 1bd3 n ALA 217 Ca -0.08 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 1bd3 n ALA 217 Cb 0.63 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.26 -1.63 -0.15 0.00 0.00 -0.54 -4.69 121.76 111.49 1bd3 s ALA 218 Ca -0.05 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.13 1bd3 s ALA 218 Cb 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1bd3 s ALA 218 CO 0.81 -0.35 -0.16 0.08 0.00 0.00 0.00 175.76 176.14 1bd3 s VAL 219 N -1.13 1.71 0.77 0.00 1.01 -1.26 -2.16 120.40 119.34 1bd3 s VAL 219 Ca -0.11 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1bd3 s VAL 219 Cb -0.01 -1.58 0.17 0.00 0.00 0.00 0.00 36.38 34.96 1bd3 s VAL 219 CO 0.09 0.48 1.05 0.47 0.00 0.00 0.00 175.10 177.19 1bd3 n ASP 220 N 4.67 0.65 0.08 3.32 9.92 0.94 -4.95 116.55 131.17 1bd3 n ASP 220 Ca -0.18 -1.73 -0.22 0.00 -0.53 0.00 0.00 54.79 52.13 1bd3 n ASP 220 Cb 0.50 -0.75 -0.15 0.00 -0.64 0.00 0.00 41.12 40.08 1bd3 n ASP 220 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1bd3 h ILE 221 N -1.14 1.27 -2.40 0.53 -0.00 -1.73 -3.38 117.51 110.65 1bd3 h ILE 221 Ca -0.34 -2.56 0.19 0.00 -0.00 0.00 0.00 64.86 62.15 1bd3 h ILE 221 Cb 1.08 3.00 -0.03 0.00 -0.00 0.00 0.00 36.82 40.87 1bd3 h ILE 221 CO 0.30 0.76 0.63 0.00 -0.00 0.00 0.00 178.15 179.84 1bd3 s LEU 223 N 0.00 4.30 0.57 0.00 1.43 -1.26 -0.45 118.68 123.27 1bd3 s LEU 223 Ca 0.23 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1bd3 s LEU 223 Cb -0.02 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1bd3 s LEU 223 CO 0.04 0.08 0.62 0.54 0.23 0.00 0.00 176.35 177.87 1bd3 s ASN 224 N -3.03 4.84 0.34 2.29 4.22 0.19 -4.84 114.94 118.95 1bd3 s ASN 224 Ca 0.34 -1.08 0.14 0.00 -2.14 0.00 0.00 52.86 50.12 1bd3 s ASN 224 Cb -0.11 0.45 1.07 0.00 1.28 0.00 0.00 41.25 43.93 1bd3 s ASN 224 CO 0.28 -1.28 1.65 0.28 -2.04 0.00 0.00 177.10 175.99 1bd3 h SER 225 N 0.41 0.41 -0.24 3.54 0.02 -2.00 1.31 113.55 116.99 1bd3 h SER 225 Ca -0.32 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1bd3 h SER 225 Cb 1.30 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1bd3 h SER 225 CO 0.48 -0.18 0.00 -1.14 -1.14 0.00 0.00 176.83 174.85 1bd3 n ARG 226 N -5.11 2.56 -3.55 3.45 0.00 -1.26 -4.85 116.66 107.90 1bd3 n ARG 226 Ca 0.31 -1.30 -0.25 0.00 -0.00 0.00 0.00 57.85 56.61 1bd3 n ARG 226 Cb 0.98 -1.78 0.06 0.00 0.00 0.00 0.00 32.46 31.72 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 0.27 -2.55 -3.91 -0.14 4.02 0.45 -4.97 117.16 110.33 1bd3 n TYR 227 Ca 0.11 0.88 -0.35 0.00 -0.01 0.00 0.00 57.90 58.53 1bd3 n TYR 227 Cb 0.62 -4.63 -0.06 0.00 -0.02 0.00 0.00 39.34 35.25 1bd3 n TYR 227 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1bd3 s TYR 228 N -3.27 3.56 0.24 -0.72 2.02 -1.23 -4.74 117.35 113.22 1bd3 s TYR 228 Ca 0.55 0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 1bd3 s TYR 228 Cb -0.25 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.33 1bd3 s TYR 228 CO 0.68 0.69 1.22 0.42 -1.57 0.00 0.00 175.55 176.99 1bd3 s ILE 229 N -1.14 3.30 -0.01 2.71 1.01 -1.26 0.58 121.20 126.38 1bd3 s ILE 229 Ca 0.20 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.06 1bd3 s ILE 229 Cb -0.12 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1bd3 s ILE 229 CO 0.10 0.23 -0.10 0.68 0.00 0.00 0.00 174.94 175.85 1bd3 s VAL 230 N -0.53 0.80 0.37 2.92 -7.23 0.40 -2.61 120.40 114.52 1bd3 s VAL 230 Ca 0.51 -0.43 0.38 0.00 -1.81 0.00 0.00 61.98 60.63 1bd3 s VAL 230 Cb -0.35 -0.67 0.40 0.00 0.56 0.00 0.00 36.38 36.32 1bd3 s VAL 230 CO 0.41 0.23 2.17 1.55 -0.31 0.00 0.00 175.10 179.15 1bd3 h PRO 231 N 5.95 0.00 0.00 4.82 0.14 -1.96 -2.34 132.00 138.62 1bd3 h PRO 231 Ca -0.32 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.82 1bd3 h PRO 231 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1bd3 h PRO 231 CO 0.49 0.00 0.00 0.41 0.14 0.00 0.00 178.00 179.04 1bd3 n GLY 232 N -0.73 0.90 0.00 1.56 0.00 -1.07 -4.77 105.19 101.07 1bd3 n GLY 232 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.78 -0.61 3.06 -1.26 -4.84 119.36 113.93 1bd3 n ILE 233 Ca 0.00 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 1bd3 n ILE 233 Cb 0.00 1.39 0.00 0.00 0.54 0.00 0.00 39.64 41.57 1bd3 n ILE 233 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1bd3 n GLY 234 N 0.10 -1.74 3.48 4.50 0.00 -1.26 -4.69 105.19 105.58 1bd3 n GLY 234 Ca 0.00 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 6.24 0.15 1.61 -1.08 -1.26 -4.93 116.67 113.40 1bd3 s ASP 235 Ca 0.00 -0.75 -0.26 0.00 -0.52 0.00 0.00 52.55 51.03 1bd3 s ASP 235 Cb 0.00 -2.41 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1bd3 s ASP 235 CO 0.00 -1.32 1.59 0.15 0.52 0.00 0.00 175.17 176.11 1bd3 h PHE 236 N 9.43 -1.02 -0.87 -5.34 3.04 -1.99 -0.72 116.94 119.46 1bd3 h PHE 236 Ca -0.28 0.05 0.12 0.00 3.98 0.00 0.00 57.97 61.84 1bd3 h PHE 236 Cb 1.07 0.49 -0.08 0.00 2.56 0.00 0.00 35.95 39.99 1bd3 h PHE 236 CO 0.93 -0.42 0.50 0.78 -2.02 0.00 0.00 178.31 178.08 1bd3 h GLY 237 N -0.35 1.39 0.98 2.40 0.00 -1.91 0.32 103.07 105.90 1bd3 h GLY 237 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1bd3 h GLY 237 CO -0.47 0.08 -0.21 -0.55 0.00 0.00 0.00 176.54 175.39 1bd3 h ASP 238 N 0.78 0.77 0.20 0.19 3.32 -1.65 -1.77 116.42 118.26 1bd3 h ASP 238 Ca 0.44 -0.42 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1bd3 h ASP 238 Cb 0.48 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1bd3 h ASP 238 CO -0.29 1.03 -0.60 0.03 -1.72 0.00 0.00 179.24 177.69 1bd3 h ARG 239 N 0.52 0.41 -0.10 3.56 3.08 -0.59 -0.33 114.38 120.93 1bd3 h ARG 239 Ca 0.07 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1bd3 h ARG 239 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1bd3 h ARG 239 CO 0.06 0.89 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.72 1bd3 h TYR 240 N 0.30 0.40 0.00 3.04 5.03 -0.35 -3.30 116.97 122.09 1bd3 h TYR 240 Ca -0.00 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.16 1bd3 h TYR 240 Cb 1.13 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.34 1bd3 h TYR 240 CO 0.04 0.81 -0.43 1.19 -1.32 0.00 0.00 178.16 178.45 1bd3 n PHE 241 N -4.52 0.03 -2.57 -3.82 3.72 -0.67 -4.88 117.46 104.74 1bd3 n PHE 241 Ca -0.07 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1bd3 n PHE 241 Cb 0.42 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 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 1.49 0.58 1.01 1.37 0.00 -0.20 -4.93 105.19 104.51 1bd3 n GLY 242 Ca 0.06 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.19 2.42 0.00 2.61 -2.24 -0.79 -5.04 114.28 108.05 1bd3 n THR 243 Ca -0.01 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.47 1bd3 n THR 243 Cb 0.52 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1bd3 n THR 243 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73