#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd4 h GLU 22 N 0.00 0.72 -0.23 3.69 4.81 -2.00 -3.20 114.58 118.37 1bd4 h GLU 22 Ca 0.00 -0.70 0.06 0.00 -0.13 0.00 0.00 59.36 58.59 1bd4 h GLU 22 Cb 0.00 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1bd4 h GLU 22 CO 0.00 1.29 0.16 1.49 -0.73 0.00 0.00 179.01 181.22 1bd4 h GLU 23 N 0.44 0.04 0.11 1.92 4.22 -2.00 0.16 114.58 119.46 1bd4 h GLU 23 Ca -0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 1bd4 h GLU 23 Cb 1.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1bd4 h GLU 23 CO 0.19 0.03 -0.05 0.66 -2.18 0.00 0.00 179.01 177.65 1bd4 h SER 24 N 0.04 -0.12 -0.96 1.04 4.64 -1.98 0.44 113.55 116.65 1bd4 h SER 24 Ca 0.11 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.60 1bd4 h SER 24 Cb 0.37 0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 62.32 1bd4 h SER 24 CO -0.01 -0.08 -0.30 0.40 -0.87 0.00 0.00 176.83 175.97 1bd4 h ILE 25 N -0.16 0.03 -0.13 0.95 2.04 -1.50 1.14 117.51 119.88 1bd4 h ILE 25 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1bd4 h ILE 25 Cb 0.11 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.15 1bd4 h ILE 25 CO 0.02 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.79 1bd4 h LEU 26 N -0.01 -0.98 -0.22 1.44 3.38 -0.66 0.16 115.31 118.42 1bd4 h LEU 26 Ca 0.41 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.58 1bd4 h LEU 26 Cb 0.66 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1bd4 h LEU 26 CO -0.98 -0.36 -0.17 1.56 0.09 0.00 0.00 178.44 178.59 1bd4 h GLN 27 N -0.39 -0.16 -0.35 1.13 1.08 0.33 0.34 115.11 117.10 1bd4 h GLN 27 Ca 0.10 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1bd4 h GLN 27 Cb 0.54 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.95 1bd4 h GLN 27 CO -0.35 -0.11 -0.01 0.22 -0.95 0.00 0.00 178.83 177.64 1bd4 h ASP 28 N -0.16 -0.16 -0.38 1.46 3.58 0.11 0.68 116.42 121.55 1bd4 h ASP 28 Ca 0.13 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1bd4 h ASP 28 Cb 0.36 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1bd4 h ASP 28 CO -0.32 -0.04 -0.13 0.40 -2.88 0.00 0.00 179.24 176.27 1bd4 h ILE 29 N 0.09 1.28 -0.91 2.25 5.03 -0.29 0.33 117.51 125.28 1bd4 h ILE 29 Ca 0.17 -1.23 0.05 0.00 -0.12 0.00 0.00 64.86 63.73 1bd4 h ILE 29 Cb 0.24 1.29 -0.06 0.00 -3.03 0.00 0.00 36.82 35.26 1bd4 h ILE 29 CO -0.29 0.41 0.60 0.40 -0.68 0.00 0.00 178.15 178.58 1bd4 h ILE 30 N 0.55 1.10 0.01 -0.67 1.08 0.42 0.33 117.51 120.33 1bd4 h ILE 30 Ca 0.09 -0.37 -0.12 0.00 -0.39 0.00 0.00 64.86 64.07 1bd4 h ILE 30 Cb 0.66 -0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1bd4 h ILE 30 CO 0.05 0.20 -0.46 0.74 -0.69 0.00 0.00 178.15 177.98 1bd4 h THR 31 N 1.09 1.49 0.00 -0.27 2.02 0.83 -3.35 112.91 114.70 1bd4 h THR 31 Ca 0.38 -2.06 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 1bd4 h THR 31 Cb 0.12 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1bd4 h THR 31 CO -0.13 0.58 -0.33 0.03 0.37 0.00 0.00 175.52 176.04 1bd4 h ARG 32 N -0.29 0.00 -3.20 6.66 3.08 -0.14 -3.40 114.38 117.09 1bd4 h ARG 32 Ca -0.06 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.36 1bd4 h ARG 32 Cb 1.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.85 1bd4 h ARG 32 CO 0.09 0.33 -0.65 -0.06 -1.07 0.00 0.00 179.97 178.61 1bd4 s PHE 33 N -3.13 2.96 0.53 3.04 0.08 0.11 -4.97 117.98 116.60 1bd4 s PHE 33 Ca 0.04 -3.04 0.29 0.00 0.12 0.00 0.00 56.93 54.34 1bd4 s PHE 33 Cb 0.07 -2.54 1.70 0.00 -0.57 0.00 0.00 43.02 41.68 1bd4 s PHE 33 CO 0.71 -0.70 2.19 -1.00 -0.10 0.00 0.00 175.22 176.32 1bd4 h PRO 34 N 6.25 0.00 -0.16 0.24 0.13 -1.79 -2.77 132.00 133.89 1bd4 h PRO 34 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1bd4 h PRO 34 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1bd4 h PRO 34 CO 0.64 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 1bd4 n ASN 35 N -3.77 1.69 -4.92 1.44 5.03 -1.26 -4.86 115.26 108.61 1bd4 n ASN 35 Ca -0.03 -1.70 -0.30 0.00 0.87 0.00 0.00 54.58 53.42 1bd4 n ASN 35 Cb 0.14 -0.10 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 1bd4 n ASN 35 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1bd4 s VAL 36 N -1.80 5.29 -0.22 2.41 -7.23 -1.04 -2.55 120.40 115.26 1bd4 s VAL 36 Ca 0.33 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 1bd4 s VAL 36 Cb 0.18 -3.65 0.07 0.00 0.56 0.00 0.00 36.38 33.53 1bd4 s VAL 36 CO 0.27 0.05 0.04 0.54 -0.31 0.00 0.00 175.10 175.68 1bd4 s VAL 37 N -1.62 0.66 0.19 1.32 0.11 0.24 -4.96 120.40 116.33 1bd4 s VAL 37 Ca 0.37 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 58.39 1bd4 s VAL 37 Cb -0.12 -1.20 -0.08 0.00 -1.53 0.00 0.00 36.38 33.44 1bd4 s VAL 37 CO 0.27 -0.28 0.86 -0.22 -3.33 0.00 0.00 175.10 172.40 1bd4 s LEU 38 N 1.78 4.61 0.60 2.54 2.96 -1.26 -1.94 118.68 127.98 1bd4 s LEU 38 Ca 0.00 1.79 -0.09 0.00 -0.22 0.00 0.00 54.13 55.61 1bd4 s LEU 38 Cb -0.17 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1bd4 s LEU 38 CO -0.11 0.17 0.98 0.00 -1.32 0.00 0.00 176.35 176.06 1bd4 s MET 39 N -1.08 3.40 -0.42 1.98 0.23 -0.03 -4.92 119.30 118.46 1bd4 s MET 39 Ca 0.39 0.51 -0.42 0.00 -1.03 0.00 0.00 55.69 55.13 1bd4 s MET 39 Cb -0.24 -2.15 -0.17 0.00 -1.53 0.00 0.00 34.83 30.73 1bd4 s MET 39 CO 0.29 -0.58 1.94 0.36 -2.03 0.00 0.00 175.02 174.99 1bd4 n LYS 40 N -2.67 0.50 -2.36 3.16 0.00 -1.26 -4.83 118.16 110.70 1bd4 n LYS 40 Ca 0.05 0.16 -0.43 0.00 -0.00 0.00 0.00 58.31 58.09 1bd4 n LYS 40 Cb 0.55 -1.84 0.00 0.00 -0.00 0.00 0.00 35.03 33.74 1bd4 n LYS 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1bd4 n GLN 41 N 6.36 3.24 -1.98 -1.58 1.13 -1.26 -4.86 117.38 118.43 1bd4 n GLN 41 Ca 0.40 -3.27 -0.29 0.00 -1.94 0.00 0.00 57.00 51.90 1bd4 n GLN 41 Cb 0.05 -3.20 0.07 0.00 0.11 0.00 0.00 30.24 27.27 1bd4 n GLN 41 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1bd4 s THR 42 N 2.40 2.52 0.05 5.09 -4.23 -1.26 -4.91 115.64 115.30 1bd4 s THR 42 Ca 0.46 0.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.32 1bd4 s THR 42 Cb 0.07 -3.15 0.31 0.00 1.34 0.00 0.00 72.50 71.07 1bd4 s THR 42 CO -0.00 -0.19 1.86 0.00 -0.54 0.00 0.00 174.62 175.75 1bd4 h ALA 43 N -0.82 1.00 0.38 3.99 0.00 -1.99 -2.01 119.26 119.80 1bd4 h ALA 43 Ca -0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1bd4 h ALA 43 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bd4 h ALA 43 CO 0.64 0.14 -0.18 0.37 0.00 0.00 0.00 179.25 180.22 1bd4 h GLN 44 N 0.00 -0.49 -0.71 0.00 5.75 -1.97 -1.54 115.11 116.16 1bd4 h GLN 44 Ca -0.00 0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.68 1bd4 h GLN 44 Cb 0.69 0.11 -0.10 0.00 1.07 0.00 0.00 27.48 29.25 1bd4 h GLN 44 CO 0.01 -0.18 0.21 1.25 -2.65 0.00 0.00 178.83 177.47 1bd4 h LEU 45 N -0.98 0.09 -0.42 -2.39 5.85 -1.86 -0.60 115.31 115.01 1bd4 h LEU 45 Ca -0.05 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1bd4 h LEU 45 Cb 0.53 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1bd4 h LEU 45 CO 0.08 0.01 -0.07 0.03 -0.34 0.00 0.00 178.44 178.16 1bd4 h ARG 46 N 0.32 0.79 -0.82 1.25 2.47 -1.40 0.07 114.38 117.07 1bd4 h ARG 46 Ca 0.40 -0.29 0.12 0.00 -1.26 0.00 0.00 59.98 58.95 1bd4 h ARG 46 Cb 0.64 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.82 1bd4 h ARG 46 CO -0.46 0.90 0.43 0.00 0.56 0.00 0.00 179.97 181.40 1bd4 h ALA 47 N 0.86 1.20 0.15 0.04 0.00 -0.16 1.00 119.26 122.36 1bd4 h ALA 47 Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1bd4 h ALA 47 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bd4 h ALA 47 CO 0.04 -0.04 -0.07 0.52 0.00 0.00 0.00 179.25 179.69 1bd4 h MET 48 N 0.66 -0.20 -0.91 0.00 2.86 -0.83 -2.63 114.93 113.87 1bd4 h MET 48 Ca 0.43 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.23 1bd4 h MET 48 Cb 0.53 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.14 1bd4 h MET 48 CO -0.32 0.04 0.51 1.98 1.06 0.00 0.00 176.91 180.18 1bd4 h MET 49 N -0.41 0.71 -0.26 1.72 -1.53 0.05 0.60 114.93 115.81 1bd4 h MET 49 Ca -0.02 -0.04 -0.10 0.00 -3.44 0.00 0.00 59.70 56.10 1bd4 h MET 49 Cb 0.33 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.20 1bd4 h MET 49 CO 0.03 0.47 -0.24 0.00 0.14 0.00 0.00 176.91 177.31 1bd4 h THR 50 N 0.73 1.26 -0.12 -0.77 1.03 0.12 -2.23 112.91 112.94 1bd4 h THR 50 Ca 0.49 -1.26 -0.03 0.00 -0.01 0.00 0.00 66.41 65.60 1bd4 h THR 50 Cb 0.66 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.06 1bd4 h THR 50 CO -0.34 0.40 -0.04 0.40 -0.01 0.00 0.00 175.52 175.93 1bd4 h ILE 51 N 0.45 1.30 -0.02 0.00 1.08 -0.61 -2.34 117.51 117.36 1bd4 h ILE 51 Ca 0.07 -1.01 -0.06 0.00 -0.39 0.00 0.00 64.86 63.46 1bd4 h ILE 51 Cb 0.67 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 1bd4 h ILE 51 CO 0.05 0.29 -0.29 0.16 -0.69 0.00 0.00 178.15 177.67 1bd4 h ILE 52 N -0.08 1.22 0.00 -0.67 3.07 -0.99 -3.04 117.51 117.02 1bd4 h ILE 52 Ca 0.03 -1.04 -0.14 0.00 1.55 0.00 0.00 64.86 65.26 1bd4 h ILE 52 Cb 0.47 1.53 -0.02 0.00 -0.27 0.00 0.00 36.82 38.53 1bd4 h ILE 52 CO 0.01 0.30 -0.70 0.03 -1.05 0.00 0.00 178.15 176.75 1bd4 h ARG 53 N 0.04 0.00 -6.50 0.16 3.08 -1.38 -3.46 114.38 106.33 1bd4 h ARG 53 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1bd4 h ARG 53 Cb 0.53 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.63 1bd4 h ARG 53 CO 0.04 0.67 1.03 -3.47 -1.07 0.00 0.00 179.97 177.16 1bd4 n ASP 54 N -3.26 3.76 0.26 7.04 -0.08 -0.89 -4.81 116.55 118.57 1bd4 n ASP 54 Ca 0.01 1.02 0.12 0.00 -1.51 0.00 0.00 54.79 54.43 1bd4 n ASP 54 Cb 0.81 -1.50 0.70 0.00 2.34 0.00 0.00 41.12 43.47 1bd4 n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1bd4 h LYS 55 N 7.80 0.00 0.00 -0.67 2.10 -1.89 -2.32 116.57 121.59 1bd4 h LYS 55 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1bd4 h LYS 55 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1bd4 h LYS 55 CO 0.94 0.13 0.00 0.39 -2.00 0.00 0.00 179.45 178.91 1bd4 n GLU 56 N -3.66 0.05 -2.11 0.07 4.71 -1.26 -4.89 120.64 113.54 1bd4 n GLU 56 Ca -0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 57.16 56.79 1bd4 n GLU 56 Cb 0.25 -1.56 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 1bd4 n GLU 56 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1bd4 s THR 57 N -3.02 2.97 0.34 2.62 2.01 -0.87 -5.01 115.64 114.67 1bd4 s THR 57 Ca 0.12 0.78 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 1bd4 s THR 57 Cb 0.17 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1bd4 s THR 57 CO 0.50 0.11 1.00 -2.84 -0.69 0.00 0.00 174.62 172.70 1bd4 s PRO 58 N 0.09 4.47 0.38 4.92 0.02 -1.26 -4.81 135.00 138.80 1bd4 s PRO 58 Ca 0.60 1.46 0.24 0.00 0.02 0.00 0.00 61.00 63.32 1bd4 s PRO 58 Cb -0.39 -2.79 1.34 0.00 0.02 0.00 0.00 34.50 32.67 1bd4 s PRO 58 CO 0.38 0.14 1.51 0.36 -0.33 0.00 0.00 177.00 179.06 1bd4 n LYS 59 N 0.48 -0.05 -0.04 5.54 2.85 -1.26 -0.82 118.16 124.87 1bd4 n LYS 59 Ca 0.02 1.28 -0.13 0.00 -1.05 0.00 0.00 58.31 58.43 1bd4 n LYS 59 Cb 0.49 -2.37 -0.08 0.00 -0.65 0.00 0.00 35.03 32.42 1bd4 n LYS 59 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1bd4 h GLU 60 N 0.00 0.20 -0.46 -1.58 9.09 -1.95 0.70 114.58 120.60 1bd4 h GLU 60 Ca 0.82 -0.10 -0.05 0.00 0.05 0.00 0.00 59.36 60.08 1bd4 h GLU 60 Cb 2.34 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.42 1bd4 h GLU 60 CO -0.64 0.62 0.09 0.93 0.05 0.00 0.00 179.01 180.06 1bd4 h GLU 61 N -0.20 0.74 0.11 1.06 4.39 -1.55 -0.21 114.58 118.92 1bd4 h GLU 61 Ca 0.02 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1bd4 h GLU 61 Cb 0.57 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1bd4 h GLU 61 CO 0.02 0.75 -0.20 0.35 -1.16 0.00 0.00 179.01 178.77 1bd4 h PHE 62 N 0.61 -0.52 -0.22 4.33 3.04 -0.93 -1.26 116.94 121.99 1bd4 h PHE 62 Ca 0.14 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 1bd4 h PHE 62 Cb 0.35 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1bd4 h PHE 62 CO 0.02 -0.29 -0.24 -0.39 -2.02 0.00 0.00 178.31 175.39 1bd4 h VAL 63 N -0.38 1.26 0.41 1.41 -1.51 -0.66 -1.58 116.25 115.20 1bd4 h VAL 63 Ca 0.03 -1.21 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 1bd4 h VAL 63 Cb 0.40 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1bd4 h VAL 63 CO -0.11 0.38 -0.20 0.15 -1.23 0.00 0.00 177.57 176.56 1bd4 h PHE 64 N 0.36 -0.51 -0.76 5.19 3.57 -0.75 -1.46 116.94 122.58 1bd4 h PHE 64 Ca 0.06 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1bd4 h PHE 64 Cb 0.63 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1bd4 h PHE 64 CO 0.02 -0.26 0.32 1.88 -2.23 0.00 0.00 178.31 178.03 1bd4 h TYR 65 N -0.65 1.12 -0.68 0.41 0.05 -1.23 -1.89 116.97 114.11 1bd4 h TYR 65 Ca -0.06 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 1bd4 h TYR 65 Cb 0.48 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1bd4 h TYR 65 CO -0.02 0.84 0.14 0.00 -1.05 0.00 0.00 178.16 178.07 1bd4 h ALA 66 N 1.25 0.96 -0.45 3.88 0.00 -1.28 -1.50 119.26 122.13 1bd4 h ALA 66 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bd4 h ALA 66 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1bd4 h ALA 66 CO -0.02 0.66 0.29 -0.44 0.00 0.00 0.00 179.25 179.74 1bd4 h ASP 67 N 1.03 0.50 0.02 0.00 3.32 -0.87 0.40 116.42 120.82 1bd4 h ASP 67 Ca 0.21 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1bd4 h ASP 67 Cb 0.40 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1bd4 h ASP 67 CO 0.01 0.36 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.79 1bd4 h ARG 68 N 0.59 -0.03 -0.38 3.56 2.43 -1.12 -1.60 114.38 117.84 1bd4 h ARG 68 Ca 0.17 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1bd4 h ARG 68 Cb -0.05 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1bd4 h ARG 68 CO -0.05 0.06 0.14 1.25 -1.51 0.00 0.00 179.97 179.86 1bd4 h LEU 69 N -0.10 0.17 -1.01 3.80 7.12 -1.05 -1.34 115.31 122.89 1bd4 h LEU 69 Ca -0.00 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.12 1bd4 h LEU 69 Cb 0.10 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.17 1bd4 h LEU 69 CO 0.00 0.13 0.65 0.40 -0.13 0.00 0.00 178.44 179.49 1bd4 h ILE 70 N 0.31 1.06 -0.48 4.05 2.04 0.15 -1.81 117.51 122.83 1bd4 h ILE 70 Ca 0.17 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1bd4 h ILE 70 Cb 0.14 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.00 1bd4 h ILE 70 CO -0.16 0.21 0.29 0.03 0.00 0.00 0.00 178.15 178.51 1bd4 h ARG 71 N 1.15 0.56 -0.83 2.37 2.47 -0.26 -0.52 114.38 119.31 1bd4 h ARG 71 Ca 0.44 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 59.14 1bd4 h ARG 71 Cb 0.22 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 1bd4 h ARG 71 CO -0.19 0.37 0.54 -0.07 0.56 0.00 0.00 179.97 181.18 1bd4 h LEU 72 N 0.57 0.96 -0.46 3.04 3.38 -1.10 -1.61 115.31 120.10 1bd4 h LEU 72 Ca 0.19 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1bd4 h LEU 72 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1bd4 h LEU 72 CO -0.09 0.71 0.18 0.25 0.09 0.00 0.00 178.44 179.58 1bd4 h LEU 73 N 1.13 0.63 -0.79 1.67 6.46 -0.82 -1.23 115.31 122.36 1bd4 h LEU 73 Ca 0.30 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1bd4 h LEU 73 Cb -0.12 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.63 1bd4 h LEU 73 CO -0.06 0.63 -0.05 0.40 -0.62 0.00 0.00 178.44 178.74 1bd4 h ILE 74 N 0.60 1.26 0.43 4.05 5.03 -0.86 0.07 117.51 128.09 1bd4 h ILE 74 Ca 0.15 -1.12 -0.02 0.00 -0.12 0.00 0.00 64.86 63.75 1bd4 h ILE 74 Cb 0.20 0.94 -0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1bd4 h ILE 74 CO -0.01 0.39 -0.24 -0.33 -0.68 0.00 0.00 178.15 177.28 1bd4 h GLU 75 N 0.78 -0.60 -0.44 2.37 4.39 -1.03 -0.13 114.58 119.92 1bd4 h GLU 75 Ca 0.14 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.94 1bd4 h GLU 75 Cb 0.54 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 1bd4 h GLU 75 CO 0.03 -0.40 -0.49 1.49 -1.16 0.00 0.00 179.01 178.48 1bd4 h GLU 76 N -0.62 -0.33 -0.94 2.33 4.57 -0.90 -1.68 114.58 117.01 1bd4 h GLU 76 Ca -0.05 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.31 1bd4 h GLU 76 Cb 0.50 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.06 1bd4 h GLU 76 CO 0.07 -0.22 0.54 0.00 -1.18 0.00 0.00 179.01 178.23 1bd4 h ALA 77 N 0.25 1.49 0.00 2.92 0.00 -0.79 -0.85 119.26 122.28 1bd4 h ALA 77 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bd4 h ALA 77 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bd4 h ALA 77 CO -0.61 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 179.89 1bd4 n LEU 78 N -4.79 0.65 0.00 0.00 4.77 -0.08 -0.60 117.00 116.95 1bd4 n LEU 78 Ca 0.20 0.72 0.10 0.00 -0.03 0.00 0.00 56.01 57.00 1bd4 n LEU 78 Cb 0.49 -0.70 0.44 0.00 -2.33 0.00 0.00 43.42 41.33 1bd4 n LEU 78 CO 0.22 -0.75 0.81 0.59 -1.33 0.00 0.00 177.39 176.93 1bd4 n ASN 79 N -2.29 0.00 -0.01 -1.43 4.13 -0.32 -2.67 115.26 112.67 1bd4 n ASN 79 Ca 0.00 0.35 0.16 0.00 1.68 0.00 0.00 54.58 56.77 1bd4 n ASN 79 Cb 0.15 -0.44 0.87 0.00 -1.54 0.00 0.00 39.78 38.82 1bd4 n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bd4 n GLU 80 N -1.44 0.79 -2.80 3.52 4.71 0.23 -4.89 120.64 120.76 1bd4 n GLU 80 Ca 0.06 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.16 56.95 1bd4 n GLU 80 Cb 0.21 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.15 1bd4 n GLU 80 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1bd4 s LEU 81 N -2.22 3.56 0.33 -4.62 1.43 -1.09 -5.06 118.68 111.01 1bd4 s LEU 81 Ca 0.40 0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 53.78 1bd4 s LEU 81 Cb 0.21 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.92 1bd4 s LEU 81 CO 0.41 -0.74 0.98 -2.16 0.23 0.00 0.00 176.35 175.07 1bd4 s PRO 82 N -4.69 4.52 0.08 1.29 0.04 -1.26 -5.06 135.00 129.91 1bd4 s PRO 82 Ca 0.49 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1bd4 s PRO 82 Cb -0.10 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1bd4 s PRO 82 CO 0.41 0.20 -0.07 -0.59 0.04 0.00 0.00 177.00 176.99 1bd4 s PHE 83 N -1.56 0.80 0.00 0.56 -0.12 -1.26 -3.82 117.98 112.58 1bd4 s PHE 83 Ca 0.51 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.64 1bd4 s PHE 83 Cb -0.21 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1bd4 s PHE 83 CO 0.27 -0.13 0.00 1.04 -0.05 0.00 0.00 175.22 176.35 1bd4 n GLN 84 N 0.56 0.00 -3.65 1.99 1.13 0.92 -4.85 117.38 113.49 1bd4 n GLN 84 Ca -0.16 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.87 1bd4 n GLN 84 Cb 0.58 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.87 1bd4 n GLN 84 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1bd4 s LYS 85 N 0.00 0.05 -0.19 -1.09 0.00 -1.26 -4.56 119.74 112.68 1bd4 s LYS 85 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 55.97 55.91 1bd4 s LYS 85 Cb 0.00 0.02 0.06 0.00 0.00 0.00 0.00 37.83 37.91 1bd4 s LYS 85 CO 0.00 -0.01 0.47 0.21 0.00 0.00 0.00 175.35 176.02 1bd4 s LYS 86 N -0.06 0.47 -0.16 1.78 2.20 0.26 -4.66 119.74 119.57 1bd4 s LYS 86 Ca 0.08 0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 56.40 1bd4 s LYS 86 Cb -0.05 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 1bd4 s LYS 86 CO -0.15 -0.14 0.27 -2.00 -0.36 0.00 0.00 175.35 172.97 1bd4 s GLU 87 N 1.27 4.23 0.14 4.03 -6.30 -1.25 0.20 118.70 121.01 1bd4 s GLU 87 Ca -0.08 0.06 0.07 0.00 -2.50 0.00 0.00 54.97 52.52 1bd4 s GLU 87 Cb -0.07 -3.42 -0.04 0.00 0.00 0.00 0.00 34.13 30.60 1bd4 s GLU 87 CO -0.12 0.26 -0.15 0.14 0.02 0.00 0.00 175.26 175.41 1bd4 s VAL 88 N 0.41 1.51 -0.11 3.70 -7.23 0.40 -4.87 120.40 114.21 1bd4 s VAL 88 Ca 0.16 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1bd4 s VAL 88 Cb -0.13 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1bd4 s VAL 88 CO 0.03 -0.40 0.01 0.28 -0.31 0.00 0.00 175.10 174.72 1bd4 s THR 89 N -2.17 4.40 0.71 5.32 -1.32 -1.26 0.40 115.64 121.72 1bd4 s THR 89 Ca 0.12 -0.20 -0.08 0.00 -1.21 0.00 0.00 61.69 60.31 1bd4 s THR 89 Cb -0.05 -2.89 0.05 0.00 -1.51 0.00 0.00 72.50 68.11 1bd4 s THR 89 CO 0.04 0.57 1.05 -0.89 -2.21 0.00 0.00 174.62 173.17 1bd4 s THR 90 N -0.50 2.57 0.53 5.08 2.01 0.64 -4.90 115.64 121.07 1bd4 s THR 90 Ca 0.09 -0.08 0.18 0.00 0.31 0.00 0.00 61.69 62.19 1bd4 s THR 90 Cb -0.12 -3.13 0.28 0.00 0.01 0.00 0.00 72.50 69.55 1bd4 s THR 90 CO 0.02 -0.15 2.16 1.55 -0.69 0.00 0.00 174.62 177.51 1bd4 h PRO 91 N -0.65 0.00 0.00 4.92 0.13 -1.99 1.00 132.00 135.42 1bd4 h PRO 91 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bd4 h PRO 91 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1bd4 h PRO 91 CO 0.62 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.67 1bd4 n LEU 92 N -4.46 0.00 -1.62 1.56 4.32 -1.26 -4.83 117.00 110.71 1bd4 n LEU 92 Ca -0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.81 1bd4 n LEU 92 Cb 0.11 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 1bd4 n LEU 92 CO 0.33 0.00 -0.18 0.47 -1.22 0.00 0.00 177.39 176.79 1bd4 n ASP 93 N -0.70 -4.66 -4.31 -1.43 8.00 0.35 -5.01 116.55 108.79 1bd4 n ASP 93 Ca 0.07 0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.35 1bd4 n ASP 93 Cb 0.03 -3.73 -0.15 0.00 -0.02 0.00 0.00 41.12 37.25 1bd4 n ASP 93 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1bd4 s VAL 94 N -2.72 2.02 0.87 2.53 -7.23 -1.25 -4.84 120.40 109.78 1bd4 s VAL 94 Ca 0.00 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1bd4 s VAL 94 Cb 0.00 -1.71 0.11 0.00 0.56 0.00 0.00 36.38 35.35 1bd4 s VAL 94 CO 0.00 0.45 1.11 -0.94 -0.31 0.00 0.00 175.10 175.41 1bd4 s SER 95 N -0.90 3.54 -0.06 4.85 1.04 -1.26 -0.26 113.70 120.64 1bd4 s SER 95 Ca 0.10 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 1bd4 s SER 95 Cb -0.10 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1bd4 s SER 95 CO 0.00 -2.66 0.16 -0.47 0.98 0.00 0.00 173.24 171.25 1bd4 s TYR 96 N -2.78 -0.17 -0.31 5.02 6.14 1.33 -4.75 117.35 121.82 1bd4 s TYR 96 Ca 0.64 0.43 -0.06 0.00 0.64 0.00 0.00 57.07 58.72 1bd4 s TYR 96 Cb -0.20 0.05 0.03 0.00 0.42 0.00 0.00 41.96 42.26 1bd4 s TYR 96 CO 0.57 -0.09 0.07 -1.01 0.64 0.00 0.00 175.55 175.73 1bd4 s HIS 97 N 0.14 3.19 0.00 4.97 3.76 -1.26 0.15 115.29 126.25 1bd4 s HIS 97 Ca -0.01 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 53.59 1bd4 s HIS 97 Cb -0.02 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1bd4 s HIS 97 CO -0.00 -0.68 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 1bd4 n GLY 98 N 4.80 5.36 3.19 -2.22 0.00 0.52 -4.92 105.19 111.92 1bd4 n GLY 98 Ca -0.14 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1bd4 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bd4 s VAL 99 N 1.58 0.17 -0.11 1.61 -7.23 -1.26 0.90 120.40 116.06 1bd4 s VAL 99 Ca 0.00 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1bd4 s VAL 99 Cb 0.00 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.72 1bd4 s VAL 99 CO 0.00 -0.26 0.26 -0.55 -0.31 0.00 0.00 175.10 174.23 1bd4 s SER 100 N -3.13 -0.28 -0.20 4.85 0.15 -1.26 -4.65 113.70 109.18 1bd4 s SER 100 Ca 0.30 0.54 -0.21 0.00 0.70 0.00 0.00 55.95 57.28 1bd4 s SER 100 Cb 0.07 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1bd4 s SER 100 CO 0.07 -0.14 0.67 -0.36 1.20 0.00 0.00 173.24 174.67 1bd4 s PHE 101 N 0.89 3.37 -0.98 3.44 0.40 -1.26 0.31 117.98 124.14 1bd4 s PHE 101 Ca -0.06 0.97 0.09 0.00 -0.60 0.00 0.00 56.93 57.33 1bd4 s PHE 101 Cb -0.07 -2.84 0.16 0.00 0.51 0.00 0.00 43.02 40.77 1bd4 s PHE 101 CO -0.06 -0.21 0.99 2.48 0.70 0.00 0.00 175.22 179.12 1bd4 n TYR 102 N 5.20 0.18 -2.40 0.36 4.11 -1.25 -4.91 117.16 118.44 1bd4 n TYR 102 Ca -0.00 -0.23 -0.30 0.00 -0.00 0.00 0.00 57.90 57.36 1bd4 n TYR 102 Cb 0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.34 39.81 1bd4 n TYR 102 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1bd4 s SER 103 N -0.88 6.39 -0.24 9.48 0.01 -1.26 -5.05 113.70 122.14 1bd4 s SER 103 Ca 0.15 1.26 -0.15 0.00 1.31 0.00 0.00 55.95 58.52 1bd4 s SER 103 Cb 0.09 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1bd4 s SER 103 CO 0.12 -0.63 0.35 -0.54 0.41 0.00 0.00 173.24 172.96 1bd4 s LYS 104 N -4.53 4.07 0.26 12.44 1.02 -1.26 -5.04 119.74 126.70 1bd4 s LYS 104 Ca 0.53 0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.58 1bd4 s LYS 104 Cb -0.10 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1bd4 s LYS 104 CO 0.42 -0.16 0.04 0.44 -0.92 0.00 0.00 175.35 175.17 1bd4 n ILE 105 N 4.77 0.00 -3.61 2.17 -5.35 -1.26 -1.04 119.36 115.05 1bd4 n ILE 105 Ca -0.09 -1.34 -0.04 0.00 -0.27 0.00 0.00 62.75 61.01 1bd4 n ILE 105 Cb 0.51 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.76 1bd4 n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bd4 s GLY 107 N -1.87 1.96 -0.17 0.00 0.00 -0.39 -1.38 107.32 105.47 1bd4 s GLY 107 Ca 0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1bd4 s GLY 107 CO -0.04 -1.03 0.08 0.14 0.00 0.00 0.00 173.10 172.24 1bd4 s VAL 108 N -1.48 0.05 0.24 1.40 1.01 0.35 -0.56 120.40 121.40 1bd4 s VAL 108 Ca 0.30 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1bd4 s VAL 108 Cb -0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 1bd4 s VAL 108 CO 0.23 -0.26 0.56 -0.94 0.00 0.00 0.00 175.10 174.69 1bd4 s SER 109 N 2.08 6.62 -0.35 3.32 1.04 -0.77 -0.25 113.70 125.39 1bd4 s SER 109 Ca 0.01 0.92 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 1bd4 s SER 109 Cb -0.16 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1bd4 s SER 109 CO -0.09 -0.09 0.20 -0.63 0.98 0.00 0.00 173.24 173.62 1bd4 s ILE 110 N -1.84 4.78 0.31 -1.02 -1.09 -0.96 -0.90 121.20 120.48 1bd4 s ILE 110 Ca 0.47 -0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 1bd4 s ILE 110 Cb -0.11 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1bd4 s ILE 110 CO 0.22 -0.08 1.26 -0.69 -1.23 0.00 0.00 174.94 174.41 1bd4 s VAL 111 N 1.62 2.94 -0.21 2.92 1.01 0.72 0.84 120.40 130.24 1bd4 s VAL 111 Ca 0.04 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 1bd4 s VAL 111 Cb -0.18 -3.59 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 1bd4 s VAL 111 CO 0.07 0.22 -0.04 0.54 0.00 0.00 0.00 175.10 175.89 1bd4 n ARG 112 N 1.06 0.68 -0.30 2.72 1.74 -1.26 -4.48 116.66 116.82 1bd4 n ARG 112 Ca 0.00 0.20 0.14 0.00 -0.77 0.00 0.00 57.85 57.42 1bd4 n ARG 112 Cb 0.43 -1.58 0.31 0.00 -1.02 0.00 0.00 32.46 30.60 1bd4 n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bd4 h ALA 113 N -0.03 1.39 0.00 7.54 0.00 -1.93 0.41 119.26 126.65 1bd4 h ALA 113 Ca -0.53 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bd4 h ALA 113 Cb 1.92 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1bd4 h ALA 113 CO -0.05 -0.44 0.00 0.78 0.00 0.00 0.00 179.25 179.54 1bd4 h GLY 114 N 0.28 0.00 1.91 0.00 0.00 0.29 -2.76 103.07 102.78 1bd4 h GLY 114 Ca 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.83 1bd4 h GLY 114 CO -0.61 0.00 -0.28 0.83 0.00 0.00 0.00 176.54 176.49 1bd4 h GLU 115 N 0.00 0.11 0.00 4.80 5.08 -0.27 -2.52 114.58 121.79 1bd4 h GLU 115 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1bd4 h GLU 115 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1bd4 h GLU 115 CO 0.00 0.39 -0.00 0.66 -1.00 0.00 0.00 179.01 179.06 1bd4 h SER 116 N 0.10 0.00 0.03 1.42 4.64 -1.61 -1.53 113.55 116.60 1bd4 h SER 116 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1bd4 h SER 116 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1bd4 h SER 116 CO 0.04 0.00 -0.21 0.23 -0.87 0.00 0.00 176.83 176.02 1bd4 n MET 117 N -3.11 1.55 -0.05 4.77 2.81 -0.95 -4.16 117.12 117.99 1bd4 n MET 117 Ca -0.03 -1.17 -0.07 0.00 -1.81 0.00 0.00 57.70 54.62 1bd4 n MET 117 Cb 0.08 -1.48 0.11 0.00 -0.71 0.00 0.00 33.22 31.22 1bd4 n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1bd4 h GLU 118 N 2.85 0.67 -0.94 0.03 5.08 -1.37 -2.67 114.58 118.23 1bd4 h GLU 118 Ca 0.00 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1bd4 h GLU 118 Cb 0.73 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1bd4 h GLU 118 CO 0.00 0.88 0.58 0.77 -1.00 0.00 0.00 179.01 180.25 1bd4 h SER 119 N 0.58 1.12 -0.45 1.42 0.02 -1.73 -1.04 113.55 113.46 1bd4 h SER 119 Ca 0.07 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1bd4 h SER 119 Cb 0.79 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1bd4 h SER 119 CO 0.06 0.85 -0.25 1.23 -1.14 0.00 0.00 176.83 177.59 1bd4 h GLY 120 N 1.30 1.04 1.31 -3.77 0.00 -1.74 -1.36 103.07 99.85 1bd4 h GLY 120 Ca 0.34 -0.96 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1bd4 h GLY 120 CO -0.07 0.87 -0.23 -2.00 0.00 0.00 0.00 176.54 175.12 1bd4 h LEU 121 N 0.80 0.81 -1.00 3.11 5.85 -1.09 -2.58 115.31 121.21 1bd4 h LEU 121 Ca 0.10 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1bd4 h LEU 121 Cb 0.83 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1bd4 h LEU 121 CO 0.07 1.01 -0.31 0.03 -0.34 0.00 0.00 178.44 178.90 1bd4 h ARG 122 N 0.69 0.33 -0.60 1.25 2.47 -1.11 0.50 114.38 117.91 1bd4 h ARG 122 Ca 0.09 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1bd4 h ARG 122 Cb 0.74 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1bd4 h ARG 122 CO 0.06 0.61 0.09 0.00 0.56 0.00 0.00 179.97 181.30 1bd4 h ALA 123 N 1.39 1.04 0.00 0.04 0.00 -0.86 -3.02 119.26 117.85 1bd4 h ALA 123 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1bd4 h ALA 123 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bd4 h ALA 123 CO 0.05 0.62 -1.68 1.33 0.00 0.00 0.00 179.25 179.57 1bd4 n VAL 124 N -4.23 0.44 -3.80 0.00 0.24 -1.07 -4.67 118.33 105.24 1bd4 n VAL 124 Ca 0.04 -0.57 -0.28 0.00 -2.04 0.00 0.00 64.34 61.49 1bd4 n VAL 124 Cb 0.27 -0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 32.30 1bd4 n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bd4 n ARG 126 N 2.49 1.20 -1.81 0.00 3.00 -1.15 -2.44 116.66 117.95 1bd4 n ARG 126 Ca 0.18 0.42 -0.10 0.00 -0.01 0.00 0.00 57.85 58.34 1bd4 n ARG 126 Cb 0.37 -2.19 -0.02 0.00 0.00 0.00 0.00 32.46 30.62 1bd4 n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bd4 n GLY 127 N 4.70 0.45 3.75 -0.13 0.00 -1.26 -5.00 105.19 107.69 1bd4 n GLY 127 Ca 0.29 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1bd4 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd4 s VAL 128 N -2.43 3.59 0.33 1.61 0.11 -1.02 -4.96 120.40 117.62 1bd4 s VAL 128 Ca 0.00 1.47 -0.29 0.00 -2.93 0.00 0.00 61.98 60.23 1bd4 s VAL 128 Cb 0.00 -3.94 -0.11 0.00 -1.53 0.00 0.00 36.38 30.81 1bd4 s VAL 128 CO 0.00 0.30 1.43 -0.13 -3.33 0.00 0.00 175.10 173.36 1bd4 s ARG 129 N -0.86 4.23 -0.28 1.54 0.52 -1.26 -4.86 118.95 117.98 1bd4 s ARG 129 Ca 0.48 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 58.09 1bd4 s ARG 129 Cb -0.32 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.17 1bd4 s ARG 129 CO 0.39 -0.40 -0.06 0.42 0.02 0.00 0.00 175.30 175.67 1bd4 s ILE 130 N -0.78 2.63 0.44 1.52 1.09 -1.26 -1.26 121.20 123.58 1bd4 s ILE 130 Ca 0.54 -1.43 -0.04 0.00 -1.10 0.00 0.00 60.65 58.62 1bd4 s ILE 130 Cb -0.43 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 1bd4 s ILE 130 CO 0.54 -0.02 0.71 -0.83 -0.10 0.00 0.00 174.94 175.24 1bd4 s GLY 131 N 1.20 1.46 -0.02 6.18 0.00 0.28 -4.89 107.32 111.54 1bd4 s GLY 131 Ca -0.06 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1bd4 s GLY 131 CO -0.03 -0.49 -0.05 0.54 0.00 0.00 0.00 173.10 173.07 1bd4 s LYS 132 N -4.59 0.54 -0.09 2.90 1.02 0.51 -1.85 119.74 118.19 1bd4 s LYS 132 Ca 0.45 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 56.27 1bd4 s LYS 132 Cb -0.10 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 1bd4 s LYS 132 CO 0.42 0.06 -0.05 0.42 -0.92 0.00 0.00 175.35 175.28 1bd4 s ILE 133 N 0.19 0.79 -0.34 2.17 1.01 -0.08 -1.18 121.20 123.76 1bd4 s ILE 133 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1bd4 s ILE 133 Cb -0.06 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1bd4 s ILE 133 CO -0.00 0.32 0.15 -0.22 0.00 0.00 0.00 174.94 175.19 1bd4 s LEU 134 N 1.67 4.34 -0.02 2.97 2.96 0.21 -0.20 118.68 130.60 1bd4 s LEU 134 Ca 0.03 -0.84 0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1bd4 s LEU 134 Cb -0.13 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1bd4 s LEU 134 CO -0.06 -0.29 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.88 1bd4 s ILE 135 N 1.53 2.87 -0.07 6.68 1.09 -1.26 0.16 121.20 132.20 1bd4 s ILE 135 Ca 0.02 -0.90 -0.06 0.00 -1.10 0.00 0.00 60.65 58.61 1bd4 s ILE 135 Cb -0.18 -2.13 0.02 0.00 -1.06 0.00 0.00 42.46 39.10 1bd4 s ILE 135 CO 0.05 0.52 0.18 -1.58 -0.10 0.00 0.00 174.94 174.01 1bd4 s GLN 136 N -0.92 0.20 0.01 2.79 0.74 -0.15 -4.89 119.66 117.44 1bd4 s GLN 136 Ca 0.12 0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.52 1bd4 s GLN 136 Cb -0.10 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 1bd4 s GLN 136 CO 0.02 -0.04 0.95 1.03 -0.55 0.00 0.00 175.29 176.69 1bd4 s ARG 137 N 0.25 4.56 0.21 1.67 0.52 -1.25 -1.23 118.95 123.68 1bd4 s ARG 137 Ca -0.01 1.36 -0.32 0.00 -0.52 0.00 0.00 55.73 56.24 1bd4 s ARG 137 Cb -0.03 -3.45 -0.14 0.00 0.52 0.00 0.00 34.95 31.86 1bd4 s ARG 137 CO -0.01 -0.00 1.36 -3.47 0.02 0.00 0.00 175.30 173.20 1bd4 n ASP 138 N 3.74 2.39 0.00 0.23 -0.08 0.32 -4.77 116.55 118.38 1bd4 n ASP 138 Ca 0.05 1.14 0.05 0.00 -1.51 0.00 0.00 54.79 54.52 1bd4 n ASP 138 Cb 0.51 -1.36 0.24 0.00 2.34 0.00 0.00 41.12 42.84 1bd4 n ASP 138 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bd4 n GLU 139 N 2.11 0.01 -0.02 -0.67 1.02 -1.26 0.66 120.64 122.48 1bd4 n GLU 139 Ca 0.13 0.30 -0.06 0.00 -0.02 0.00 0.00 57.16 57.51 1bd4 n GLU 139 Cb 0.29 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1bd4 n GLU 139 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1bd4 n THR 140 N -1.49 1.18 0.29 2.62 -1.04 -1.26 -4.73 114.28 109.85 1bd4 n THR 140 Ca 0.03 0.17 0.18 0.00 -2.04 0.00 0.00 64.05 62.39 1bd4 n THR 140 Cb 0.13 -1.86 0.77 0.00 -1.82 0.00 0.00 70.33 67.55 1bd4 n THR 140 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1bd4 h THR 141 N -0.44 0.01 0.00 12.58 2.02 -1.95 -3.47 112.91 121.67 1bd4 h THR 141 Ca -0.08 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1bd4 h THR 141 Cb 0.65 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1bd4 h THR 141 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1bd4 n ALA 142 N -2.09 0.00 -2.61 6.16 0.00 0.21 -4.88 120.51 117.30 1bd4 n ALA 142 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1bd4 n ALA 142 Cb 0.27 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 1bd4 n ALA 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1bd4 s GLU 143 N -0.32 3.54 0.10 0.00 4.04 -1.26 -4.48 118.70 120.32 1bd4 s GLU 143 Ca 0.00 -0.20 -0.31 0.00 0.04 0.00 0.00 54.97 54.50 1bd4 s GLU 143 Cb 0.00 -2.67 -0.07 0.00 0.02 0.00 0.00 34.13 31.42 1bd4 s GLU 143 CO 0.00 0.18 1.25 -2.14 -1.84 0.00 0.00 175.26 172.71 1bd4 s PRO 144 N -3.98 4.41 0.01 -4.83 0.02 -1.26 0.12 135.00 129.49 1bd4 s PRO 144 Ca 0.41 1.87 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1bd4 s PRO 144 Cb -0.10 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1bd4 s PRO 144 CO 0.34 -0.28 -0.09 0.15 -0.33 0.00 0.00 177.00 176.79 1bd4 s LYS 145 N 0.84 0.68 -0.11 5.54 -0.14 -0.37 -4.92 119.74 121.26 1bd4 s LYS 145 Ca 0.59 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 54.48 1bd4 s LYS 145 Cb -0.32 -0.63 -0.01 0.00 -1.68 0.00 0.00 37.83 35.18 1bd4 s LYS 145 CO 0.31 0.17 1.07 -1.17 -0.76 0.00 0.00 175.35 174.96 1bd4 s LEU 146 N -0.54 4.23 -0.24 3.17 2.96 -1.26 -0.98 118.68 126.03 1bd4 s LEU 146 Ca 0.01 1.58 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 1bd4 s LEU 146 Cb -0.05 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.91 1bd4 s LEU 146 CO 0.00 -0.52 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.01 1bd4 n ILE 147 N 4.70 1.55 -3.73 6.68 -0.00 0.43 -4.93 119.36 124.06 1bd4 n ILE 147 Ca 0.10 -0.52 -0.14 0.00 -0.00 0.00 0.00 62.75 62.19 1bd4 n ILE 147 Cb 0.48 -1.60 -0.09 0.00 -0.00 0.00 0.00 39.64 38.42 1bd4 n ILE 147 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1bd4 s TYR 148 N -2.52 -0.34 -0.17 1.39 5.04 -1.04 -5.00 117.35 114.71 1bd4 s TYR 148 Ca -0.33 0.72 -0.12 0.00 -2.44 0.00 0.00 57.07 54.90 1bd4 s TYR 148 Cb 0.10 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.60 1bd4 s TYR 148 CO 0.61 -0.32 0.43 -1.83 -1.34 0.00 0.00 175.55 173.10 1bd4 s GLU 149 N -0.56 0.46 -0.23 4.97 4.04 -1.26 0.64 118.70 126.76 1bd4 s GLU 149 Ca -0.07 0.71 -0.04 0.00 0.04 0.00 0.00 54.97 55.61 1bd4 s GLU 149 Cb -0.04 0.12 0.08 0.00 0.02 0.00 0.00 34.13 34.31 1bd4 s GLU 149 CO 0.03 -0.11 0.11 0.21 -1.84 0.00 0.00 175.26 173.66 1bd4 s LYS 150 N 0.81 0.15 0.30 -4.83 2.47 -0.32 -5.01 119.74 113.30 1bd4 s LYS 150 Ca -0.05 -0.33 0.04 0.00 -1.56 0.00 0.00 55.97 54.07 1bd4 s LYS 150 Cb -0.06 -1.49 -0.06 0.00 -1.46 0.00 0.00 37.83 34.77 1bd4 s LYS 150 CO -0.06 -0.86 0.03 -0.51 0.16 0.00 0.00 175.35 174.11 1bd4 s LEU 151 N 2.11 2.23 0.45 5.43 1.43 -1.26 -0.36 118.68 128.70 1bd4 s LEU 151 Ca 0.06 -1.32 -0.24 0.00 -1.03 0.00 0.00 54.13 51.59 1bd4 s LEU 151 Cb -0.16 -0.40 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 1bd4 s LEU 151 CO -0.24 -0.55 1.28 -2.84 0.23 0.00 0.00 176.35 174.24 1bd4 s PRO 152 N -3.86 3.73 0.27 1.29 0.02 -1.26 -4.94 135.00 130.25 1bd4 s PRO 152 Ca 0.34 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.49 1bd4 s PRO 152 Cb 0.07 -2.56 0.36 0.00 0.02 0.00 0.00 34.50 32.40 1bd4 s PRO 152 CO 0.14 -0.66 1.65 0.00 -0.33 0.00 0.00 177.00 177.79 1bd4 h ALA 153 N 2.25 1.00 -0.48 -1.55 0.00 -2.04 -2.98 119.26 115.47 1bd4 h ALA 153 Ca -0.50 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1bd4 h ALA 153 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bd4 h ALA 153 CO 0.61 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.09 1bd4 n ASP 154 N -3.99 4.64 -0.38 0.00 5.68 -1.26 -4.54 116.55 116.70 1bd4 n ASP 154 Ca -0.02 -2.67 0.35 0.00 -0.50 0.00 0.00 54.79 51.96 1bd4 n ASP 154 Cb 0.51 -0.62 0.71 0.00 -1.14 0.00 0.00 41.12 40.58 1bd4 n ASP 154 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1bd4 h ILE 155 N 3.26 0.35 -0.03 2.12 2.10 -1.91 0.91 117.51 124.31 1bd4 h ILE 155 Ca 0.00 -0.03 0.01 0.00 1.08 0.00 0.00 64.86 65.92 1bd4 h ILE 155 Cb 1.60 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1bd4 h ILE 155 CO 0.35 0.01 0.02 0.08 -1.08 0.00 0.00 178.15 177.54 1bd4 h ARG 156 N 0.08 0.00 -0.58 2.19 0.11 -1.85 -1.41 114.38 112.93 1bd4 h ARG 156 Ca 0.64 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.72 1bd4 h ARG 156 Cb 2.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.42 1bd4 h ARG 156 CO -0.10 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.36 1bd4 n GLU 157 N -4.18 2.42 -4.22 0.08 1.02 0.31 -4.51 120.64 111.56 1bd4 n GLU 157 Ca -0.02 -2.20 -0.26 0.00 -0.02 0.00 0.00 57.16 54.66 1bd4 n GLU 157 Cb 0.11 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 1bd4 n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bd4 s ARG 158 N -1.23 2.18 -0.20 3.49 0.52 -0.53 -4.82 118.95 118.36 1bd4 s ARG 158 Ca 0.41 -1.91 -0.17 0.00 -0.52 0.00 0.00 55.73 53.54 1bd4 s ARG 158 Cb 0.22 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 1bd4 s ARG 158 CO 0.29 -0.13 0.43 -1.58 0.02 0.00 0.00 175.30 174.32 1bd4 s TRP 159 N -2.63 3.37 -0.31 -0.53 0.52 -0.20 -4.75 118.94 114.41 1bd4 s TRP 159 Ca 0.39 0.66 -0.12 0.00 0.02 0.00 0.00 56.10 57.05 1bd4 s TRP 159 Cb 0.05 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1bd4 s TRP 159 CO 0.21 -0.03 0.21 0.08 0.02 0.00 0.00 176.95 177.44 1bd4 s VAL 160 N 1.39 5.26 -0.73 4.03 1.01 -0.63 -2.37 120.40 128.35 1bd4 s VAL 160 Ca 0.20 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1bd4 s VAL 160 Cb -0.15 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.75 1bd4 s VAL 160 CO 0.08 0.13 0.89 -0.32 0.00 0.00 0.00 175.10 175.89 1bd4 s MET 161 N 1.74 3.29 -0.12 2.72 1.75 -0.48 0.09 119.30 128.29 1bd4 s MET 161 Ca 0.06 -1.49 -0.26 0.00 -1.25 0.00 0.00 55.69 52.76 1bd4 s MET 161 Cb -0.17 -4.47 -0.02 0.00 2.84 0.00 0.00 34.83 33.01 1bd4 s MET 161 CO 0.11 -1.64 0.83 -1.17 -0.65 0.00 0.00 175.02 172.49 1bd4 s LEU 162 N 2.68 4.24 -0.21 4.11 2.96 -0.68 -0.49 118.68 131.29 1bd4 s LEU 162 Ca 0.21 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.34 1bd4 s LEU 162 Cb -0.15 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1bd4 s LEU 162 CO 0.01 -0.31 -0.00 -0.76 -1.32 0.00 0.00 176.35 173.96 1bd4 s LEU 163 N 1.64 3.18 -0.30 -0.68 2.01 0.65 -0.76 118.68 124.43 1bd4 s LEU 163 Ca 0.41 -0.25 -0.01 0.00 0.01 0.00 0.00 54.13 54.29 1bd4 s LEU 163 Cb -0.18 -1.81 0.19 0.00 0.01 0.00 0.00 46.19 44.40 1bd4 s LEU 163 CO 0.16 0.03 0.71 -0.62 1.01 0.00 0.00 176.35 177.65 1bd4 s ASP 164 N 1.19 -1.24 0.56 2.29 -1.08 -1.10 -2.25 116.67 115.02 1bd4 s ASP 164 Ca 0.03 0.40 0.32 0.00 -0.52 0.00 0.00 52.55 52.78 1bd4 s ASP 164 Cb -0.14 1.89 1.47 0.00 -1.46 0.00 0.00 42.92 44.68 1bd4 s ASP 164 CO 0.01 -0.23 1.83 -0.65 0.52 0.00 0.00 175.17 176.65 1bd4 h PRO 165 N 7.90 0.00 -5.75 4.34 0.11 -1.81 -3.39 132.00 133.39 1bd4 h PRO 165 Ca -0.11 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.48 1bd4 h PRO 165 Cb 1.18 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.03 1bd4 h PRO 165 CO 0.12 0.00 -0.82 -1.64 -0.21 0.00 0.00 178.00 175.45 1bd4 s MET 166 N -4.85 1.21 -0.37 1.05 -1.94 -1.26 -1.57 119.30 111.58 1bd4 s MET 166 Ca -0.05 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1bd4 s MET 166 Cb 0.20 -1.27 0.13 0.00 2.01 0.00 0.00 34.83 35.90 1bd4 s MET 166 CO 0.71 0.32 0.21 0.00 -0.01 0.00 0.00 175.02 176.25 1bd4 n ALA 168 N 4.04 0.00 1.05 0.00 0.00 -1.26 -1.63 120.51 122.71 1bd4 n ALA 168 Ca 0.09 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1bd4 n ALA 168 Cb 0.37 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.93 1bd4 n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bd4 n THR 169 N -1.25 0.00 -1.01 0.00 -2.24 -1.26 -3.31 114.28 105.21 1bd4 n THR 169 Ca 0.00 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1bd4 n THR 169 Cb 0.00 0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1bd4 n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bd4 n ALA 170 N -0.94 -0.00 0.08 6.98 0.00 -1.26 -4.70 120.51 120.66 1bd4 n ALA 170 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1bd4 n ALA 170 Cb 0.37 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1bd4 n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bd4 h GLY 171 N 0.00 -0.14 0.88 0.00 0.00 -1.97 -0.99 103.07 100.86 1bd4 h GLY 171 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1bd4 h GLY 171 CO 0.01 -0.08 -0.34 1.76 0.00 0.00 0.00 176.54 177.89 1bd4 h SER 172 N -0.16 -0.80 -0.98 0.19 0.02 -1.98 -1.91 113.55 107.93 1bd4 h SER 172 Ca 0.01 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1bd4 h SER 172 Cb 0.16 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 1bd4 h SER 172 CO -0.03 -0.49 0.62 1.62 -1.14 0.00 0.00 176.83 177.41 1bd4 h VAL 173 N -1.07 0.90 -0.61 2.27 3.04 -1.93 0.28 116.25 119.13 1bd4 h VAL 173 Ca -0.10 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 1bd4 h VAL 173 Cb 0.75 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1bd4 h VAL 173 CO 0.16 0.17 0.29 0.00 -1.01 0.00 0.00 177.57 177.18 1bd4 h LYS 175 N 0.84 1.03 -0.71 0.00 1.63 -0.31 -1.94 116.57 117.12 1bd4 h LYS 175 Ca 0.21 -0.32 0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1bd4 h LYS 175 Cb 0.12 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 1bd4 h LYS 175 CO -0.03 1.01 0.46 0.00 -3.45 0.00 0.00 179.45 177.44 1bd4 h ALA 176 N 1.04 0.91 -0.64 5.00 0.00 0.69 -1.80 119.26 124.46 1bd4 h ALA 176 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bd4 h ALA 176 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1bd4 h ALA 176 CO 0.03 0.27 0.04 0.82 0.00 0.00 0.00 179.25 180.41 1bd4 h ILE 177 N 0.91 1.27 -0.21 0.00 5.03 0.23 -2.14 117.51 122.61 1bd4 h ILE 177 Ca 0.27 -1.12 0.04 0.00 -0.12 0.00 0.00 64.86 63.93 1bd4 h ILE 177 Cb -0.04 0.73 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 1bd4 h ILE 177 CO -0.08 0.41 -0.06 -0.08 -0.68 0.00 0.00 178.15 177.66 1bd4 h GLU 178 N 1.01 -0.01 -0.52 2.37 4.81 -0.89 0.51 114.58 121.86 1bd4 h GLU 178 Ca 0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1bd4 h GLU 178 Cb 0.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1bd4 h GLU 178 CO 0.03 -0.00 0.28 -0.24 -0.73 0.00 0.00 179.01 178.34 1bd4 h VAL 179 N -0.01 1.18 -0.46 0.32 3.04 -1.23 -0.13 116.25 118.96 1bd4 h VAL 179 Ca 0.10 -0.46 0.07 0.00 -1.01 0.00 0.00 66.70 65.40 1bd4 h VAL 179 Cb 0.16 0.54 -0.06 0.00 -2.01 0.00 0.00 31.29 29.92 1bd4 h VAL 179 CO -0.22 0.19 0.11 -0.07 -1.01 0.00 0.00 177.57 176.57 1bd4 h LEU 180 N 0.69 0.04 -1.49 3.16 -0.00 -0.70 -1.07 115.31 115.94 1bd4 h LEU 180 Ca 0.18 0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 58.09 1bd4 h LEU 180 Cb 0.06 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1bd4 h LEU 180 CO -0.03 0.05 -0.16 -0.07 -0.00 0.00 0.00 178.44 178.23 1bd4 h LEU 181 N 0.25 0.12 -1.34 1.67 3.38 0.81 -1.81 115.31 118.39 1bd4 h LEU 181 Ca 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1bd4 h LEU 181 Cb 0.28 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bd4 h LEU 181 CO -0.29 0.30 -0.11 0.03 0.09 0.00 0.00 178.44 178.46 1bd4 h ARG 182 N 0.13 0.00 0.00 1.13 3.08 0.22 -1.74 114.38 117.20 1bd4 h ARG 182 Ca 0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 1bd4 h ARG 182 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1bd4 h ARG 182 CO 0.02 0.11 -1.00 -0.07 -1.07 0.00 0.00 179.97 177.96 1bd4 h LEU 183 N 0.00 0.00 0.00 3.04 4.07 -0.67 -3.48 115.31 118.27 1bd4 h LEU 183 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bd4 h LEU 183 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1bd4 h LEU 183 CO 0.01 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 178.95 1bd4 n GLY 184 N 1.35 0.46 3.76 0.83 0.00 -0.65 -4.75 105.19 106.19 1bd4 n GLY 184 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1bd4 n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bd4 s VAL 185 N -1.45 2.74 -0.04 1.61 -7.23 -1.08 -4.73 120.40 110.22 1bd4 s VAL 185 Ca 0.00 0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 1bd4 s VAL 185 Cb 0.00 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 1bd4 s VAL 185 CO 0.00 -0.01 1.00 -0.54 -0.31 0.00 0.00 175.10 175.24 1bd4 s LYS 186 N -2.77 4.50 0.28 4.82 3.01 -1.26 -4.60 119.74 123.71 1bd4 s LYS 186 Ca 0.66 1.42 0.01 0.00 -1.01 0.00 0.00 55.97 57.06 1bd4 s LYS 186 Cb -0.33 -3.49 0.59 0.00 -1.01 0.00 0.00 37.83 33.59 1bd4 s LYS 186 CO 0.39 -0.17 1.78 1.49 0.51 0.00 0.00 175.35 179.36 1bd4 h GLU 187 N 6.93 0.72 0.00 1.68 4.81 -1.93 0.37 114.58 127.16 1bd4 h GLU 187 Ca -0.37 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1bd4 h GLU 187 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1bd4 h GLU 187 CO 0.80 0.48 0.00 -0.85 -0.73 0.00 0.00 179.01 178.70 1bd4 n GLU 188 N -4.79 0.09 -0.06 1.92 0.00 -1.22 -2.51 120.64 114.07 1bd4 n GLU 188 Ca 0.19 0.20 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1bd4 n GLU 188 Cb 0.45 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.60 1bd4 n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1bd4 n ARG 189 N -1.42 2.25 -3.35 3.44 1.74 0.13 -4.80 116.66 114.65 1bd4 n ARG 189 Ca 0.05 -1.84 -0.38 0.00 -0.77 0.00 0.00 57.85 54.91 1bd4 n ARG 189 Cb 0.16 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1bd4 n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bd4 s ILE 190 N -1.85 5.17 -0.37 0.55 1.01 -1.04 -1.61 121.20 123.06 1bd4 s ILE 190 Ca 0.33 0.91 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1bd4 s ILE 190 Cb 0.21 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.99 1bd4 s ILE 190 CO 0.31 0.36 0.10 -0.63 0.00 0.00 0.00 174.94 175.07 1bd4 s ILE 191 N 0.40 2.42 -0.56 2.92 1.01 0.11 -1.71 121.20 125.80 1bd4 s ILE 191 Ca 0.25 -2.46 -0.28 0.00 0.00 0.00 0.00 60.65 58.16 1bd4 s ILE 191 Cb -0.15 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1bd4 s ILE 191 CO 0.10 -0.64 1.38 0.12 0.00 0.00 0.00 174.94 175.91 1bd4 s PHE 192 N 0.75 2.33 -0.31 3.97 5.36 0.21 -1.69 117.98 128.60 1bd4 s PHE 192 Ca 0.12 0.46 -0.21 0.00 -0.96 0.00 0.00 56.93 56.34 1bd4 s PHE 192 Cb -0.20 -4.41 -0.01 0.00 -0.34 0.00 0.00 43.02 38.06 1bd4 s PHE 192 CO -0.07 -1.92 0.66 0.08 -1.46 0.00 0.00 175.22 172.51 1bd4 s VAL 193 N 5.88 4.91 0.06 3.12 1.01 0.06 -1.50 120.40 133.93 1bd4 s VAL 193 Ca 0.51 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1bd4 s VAL 193 Cb -0.10 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1bd4 s VAL 193 CO 0.25 -0.17 -0.08 0.21 0.00 0.00 0.00 175.10 175.31 1bd4 s ASN 194 N 1.64 1.01 -0.19 3.32 3.84 0.11 -2.73 114.94 121.95 1bd4 s ASN 194 Ca 0.27 -0.64 -0.15 0.00 0.21 0.00 0.00 52.86 52.54 1bd4 s ASN 194 Cb -0.15 0.04 -0.09 0.00 -0.55 0.00 0.00 41.25 40.50 1bd4 s ASN 194 CO 0.12 -0.24 -0.15 -0.38 -2.79 0.00 0.00 177.10 173.66 1bd4 n ILE 195 N 1.15 1.48 -4.87 -5.21 5.41 -0.97 -2.70 119.36 113.65 1bd4 n ILE 195 Ca -0.21 0.04 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 1bd4 n ILE 195 Cb 0.56 -2.22 -0.16 0.00 -0.71 0.00 0.00 39.64 37.11 1bd4 n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1bd4 s LEU 196 N -7.95 1.95 0.19 1.39 0.20 -0.61 0.06 118.68 113.92 1bd4 s LEU 196 Ca -0.25 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.24 1bd4 s LEU 196 Cb 0.06 -0.99 -0.05 0.00 -0.43 0.00 0.00 46.19 44.78 1bd4 s LEU 196 CO 0.40 0.18 -0.01 0.00 -0.29 0.00 0.00 176.35 176.62 1bd4 s ALA 197 N -0.08 1.56 -0.05 5.97 0.00 0.04 -1.85 121.76 127.35 1bd4 s ALA 197 Ca -0.01 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1bd4 s ALA 197 Cb -0.11 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1bd4 s ALA 197 CO 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 175.76 175.30 1bd4 s ALA 198 N -3.51 1.91 0.30 0.00 0.00 -0.65 0.12 121.76 119.92 1bd4 s ALA 198 Ca 0.25 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1bd4 s ALA 198 Cb 0.05 -0.60 0.71 0.00 0.00 0.00 0.00 23.12 23.28 1bd4 s ALA 198 CO 0.06 0.36 1.59 -1.35 0.00 0.00 0.00 175.76 176.42 1bd4 h PRO 199 N 6.13 0.05 -0.00 0.00 0.11 -1.82 -0.23 132.00 136.23 1bd4 h PRO 199 Ca -0.32 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 1bd4 h PRO 199 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1bd4 h PRO 199 CO 0.47 0.03 -0.32 -0.56 -0.21 0.00 0.00 178.00 177.41 1bd4 h GLN 200 N 0.05 0.00 -0.20 1.05 3.07 -1.93 0.22 115.11 117.37 1bd4 h GLN 200 Ca 0.57 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.29 1bd4 h GLN 200 Cb 1.15 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 1bd4 h GLN 200 CO -0.85 0.32 0.05 0.78 0.09 0.00 0.00 178.83 179.22 1bd4 h GLY 201 N 0.97 0.34 0.72 0.06 0.00 -1.04 0.90 103.07 105.02 1bd4 h GLY 201 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1bd4 h GLY 201 CO 0.04 0.20 -0.07 -2.22 0.00 0.00 0.00 176.54 174.48 1bd4 h ILE 202 N 0.13 0.79 -0.13 2.60 2.04 -1.07 0.27 117.51 122.13 1bd4 h ILE 202 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1bd4 h ILE 202 Cb 0.27 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1bd4 h ILE 202 CO 0.00 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.54 1bd4 h GLU 203 N -0.10 -0.34 -0.33 2.37 5.08 -0.02 -0.88 114.58 120.36 1bd4 h GLU 203 Ca 0.05 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1bd4 h GLU 203 Cb 0.17 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1bd4 h GLU 203 CO -0.13 -0.23 0.12 -0.09 -1.00 0.00 0.00 179.01 177.68 1bd4 h ARG 204 N -0.36 0.26 -0.47 2.33 2.43 0.12 0.23 114.38 118.92 1bd4 h ARG 204 Ca 0.10 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1bd4 h ARG 204 Cb 0.51 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.92 1bd4 h ARG 204 CO -0.33 0.17 -0.06 0.28 -1.51 0.00 0.00 179.97 178.51 1bd4 h VAL 205 N 0.26 0.57 -0.12 0.20 2.07 0.06 -1.54 116.25 117.76 1bd4 h VAL 205 Ca 0.14 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1bd4 h VAL 205 Cb 0.11 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1bd4 h VAL 205 CO -0.14 0.01 -0.40 -0.26 0.02 0.00 0.00 177.57 176.80 1bd4 h PHE 206 N 0.05 0.32 -0.27 1.57 0.04 -0.86 0.87 116.94 118.66 1bd4 h PHE 206 Ca 0.23 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1bd4 h PHE 206 Cb 0.36 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1bd4 h PHE 206 CO -0.36 0.64 0.08 1.57 -0.60 0.00 0.00 178.31 179.64 1bd4 h LYS 207 N 0.23 0.41 0.14 1.51 2.10 0.29 -3.14 116.57 118.12 1bd4 h LYS 207 Ca 0.02 -0.09 -0.28 0.00 -2.00 0.00 0.00 60.65 58.30 1bd4 h LYS 207 Cb 0.81 -0.06 0.03 0.00 -0.90 0.00 0.00 32.23 32.11 1bd4 h LYS 207 CO 0.06 0.48 -1.19 0.93 -2.00 0.00 0.00 179.45 177.73 1bd4 h GLU 208 N 0.27 0.55 -2.93 0.07 5.08 -1.17 -3.42 114.58 113.03 1bd4 h GLU 208 Ca 0.09 -0.79 -0.58 0.00 -1.00 0.00 0.00 59.36 57.08 1bd4 h GLU 208 Cb 0.24 0.27 -0.40 0.00 0.50 0.00 0.00 28.75 29.36 1bd4 h GLU 208 CO -0.00 1.36 -0.79 0.71 -1.00 0.00 0.00 179.01 179.29 1bd4 s TYR 209 N -2.85 1.10 -0.00 4.33 2.02 0.30 -4.98 117.35 117.27 1bd4 s TYR 209 Ca -0.10 -1.63 0.12 0.00 -0.37 0.00 0.00 57.07 55.08 1bd4 s TYR 209 Cb 0.04 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1bd4 s TYR 209 CO 0.92 -0.83 1.41 -1.00 -1.57 0.00 0.00 175.55 174.47 1bd4 h PRO 210 N 7.53 0.00 -0.23 -1.71 0.13 -1.72 -3.34 132.00 132.65 1bd4 h PRO 210 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1bd4 h PRO 210 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1bd4 h PRO 210 CO 0.40 0.70 0.00 1.63 -0.23 0.00 0.00 178.00 180.50 1bd4 n LYS 211 N -3.32 1.56 -2.83 0.86 4.76 -1.26 -4.91 118.16 113.02 1bd4 n LYS 211 Ca 0.01 -0.87 -0.25 0.00 -2.87 0.00 0.00 58.31 54.33 1bd4 n LYS 211 Cb 0.80 -1.21 0.01 0.00 -1.84 0.00 0.00 35.03 32.78 1bd4 n LYS 211 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bd4 s VAL 212 N -1.69 4.36 0.01 -0.18 -7.23 -1.25 -3.45 120.40 110.97 1bd4 s VAL 212 Ca 0.18 -0.19 0.04 0.00 -1.81 0.00 0.00 61.98 60.20 1bd4 s VAL 212 Cb 0.09 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1bd4 s VAL 212 CO 0.13 -0.54 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.68 1bd4 s ARG 213 N -4.66 2.45 -0.04 4.82 6.06 -0.69 -4.87 118.95 122.01 1bd4 s ARG 213 Ca 0.48 -0.78 -0.01 0.00 -2.50 0.00 0.00 55.73 52.93 1bd4 s ARG 213 Cb -0.10 -2.43 0.03 0.00 0.06 0.00 0.00 34.95 32.51 1bd4 s ARG 213 CO 0.41 0.59 0.02 1.41 -2.50 0.00 0.00 175.30 175.23 1bd4 s MET 214 N -1.40 0.26 -0.06 5.12 -2.45 -1.06 0.64 119.30 120.34 1bd4 s MET 214 Ca 0.16 0.17 0.04 0.00 -1.25 0.00 0.00 55.69 54.81 1bd4 s MET 214 Cb -0.11 -0.59 -0.02 0.00 1.25 0.00 0.00 34.83 35.36 1bd4 s MET 214 CO 0.07 -0.23 -0.18 0.08 1.05 0.00 0.00 175.02 175.81 1bd4 s VAL 215 N 1.54 2.69 0.19 10.11 1.01 -0.56 -0.59 120.40 134.79 1bd4 s VAL 215 Ca -0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1bd4 s VAL 215 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1bd4 s VAL 215 CO -0.03 0.57 0.38 0.28 0.00 0.00 0.00 175.10 176.31 1bd4 s THR 216 N -0.38 0.04 -0.21 3.92 -1.32 -0.82 -0.71 115.64 116.16 1bd4 s THR 216 Ca 0.03 -1.24 0.13 0.00 -1.21 0.00 0.00 61.69 59.40 1bd4 s THR 216 Cb -0.12 -1.86 -0.22 0.00 -1.51 0.00 0.00 72.50 68.78 1bd4 s THR 216 CO 0.02 -0.18 -0.01 0.00 -2.21 0.00 0.00 174.62 172.24 1bd4 n ALA 217 N -0.28 1.50 -2.97 11.08 0.00 -0.23 -0.85 120.51 128.75 1bd4 n ALA 217 Ca -0.07 -1.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.03 1bd4 n ALA 217 Cb 0.63 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1bd4 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bd4 s ALA 218 N -2.49 -0.12 -0.14 0.00 0.00 0.11 -4.57 121.76 114.55 1bd4 s ALA 218 Ca -0.16 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1bd4 s ALA 218 Cb 0.07 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1bd4 s ALA 218 CO 0.75 -0.22 -0.18 0.08 0.00 0.00 0.00 175.76 176.19 1bd4 s VAL 219 N -1.70 1.75 0.54 0.00 1.01 -1.26 -0.78 120.40 119.97 1bd4 s VAL 219 Ca -0.13 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1bd4 s VAL 219 Cb -0.07 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1bd4 s VAL 219 CO -0.01 0.49 0.76 -1.81 0.00 0.00 0.00 175.10 174.54 1bd4 s ASP 220 N 1.09 5.28 0.00 3.32 1.11 0.31 -4.93 116.67 122.86 1bd4 s ASP 220 Ca -0.03 -0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1bd4 s ASP 220 Cb -0.14 -0.83 0.00 0.00 1.07 0.00 0.00 42.92 43.02 1bd4 s ASP 220 CO -0.05 -1.13 0.75 0.00 1.18 0.00 0.00 175.17 175.92 1bd4 n ILE 221 N -2.32 0.00 -4.18 0.77 0.13 -0.99 -4.16 119.36 108.62 1bd4 n ILE 221 Ca 0.08 1.23 -0.13 0.00 -1.10 0.00 0.00 62.75 62.83 1bd4 n ILE 221 Cb 0.60 -2.20 -0.08 0.00 -0.84 0.00 0.00 39.64 37.12 1bd4 n ILE 221 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bd4 s LEU 223 N -3.19 3.79 0.00 0.00 2.96 -1.26 0.16 118.68 121.14 1bd4 s LEU 223 Ca 0.36 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1bd4 s LEU 223 Cb 0.04 -3.33 0.04 0.00 0.50 0.00 0.00 46.19 43.45 1bd4 s LEU 223 CO 0.15 -0.52 0.36 -0.46 -1.32 0.00 0.00 176.35 174.56 1bd4 n ASN 224 N -1.99 1.61 0.02 3.68 2.04 0.69 -4.79 115.26 116.51 1bd4 n ASN 224 Ca -0.01 -2.00 0.13 0.00 -0.44 0.00 0.00 54.58 52.26 1bd4 n ASN 224 Cb 0.57 -0.14 0.58 0.00 -2.53 0.00 0.00 39.78 38.26 1bd4 n ASN 224 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 1bd4 h SER 225 N 0.21 0.18 -0.44 0.53 0.87 -1.99 0.25 113.55 113.17 1bd4 h SER 225 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1bd4 h SER 225 Cb 0.74 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1bd4 h SER 225 CO 0.27 0.11 0.00 -1.14 -0.53 0.00 0.00 176.83 175.54 1bd4 n ARG 226 N -4.46 2.09 -1.79 2.24 0.00 -1.26 -4.88 116.66 108.60 1bd4 n ARG 226 Ca 0.07 -1.68 -0.13 0.00 -0.00 0.00 0.00 57.85 56.11 1bd4 n ARG 226 Cb 0.37 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.42 1bd4 n ARG 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1bd4 n TYR 227 N 0.87 -0.29 -3.43 -0.14 4.01 0.88 -4.99 117.16 114.07 1bd4 n TYR 227 Ca 0.16 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.52 1bd4 n TYR 227 Cb 0.41 -2.60 -0.06 0.00 -0.31 0.00 0.00 39.34 36.78 1bd4 n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bd4 s TYR 228 N -2.56 3.71 0.45 -0.72 2.02 -1.25 -4.63 117.35 114.36 1bd4 s TYR 228 Ca 0.00 1.03 -0.24 0.00 -0.37 0.00 0.00 57.07 57.48 1bd4 s TYR 228 Cb 0.00 -2.37 -0.08 0.00 -0.40 0.00 0.00 41.96 39.11 1bd4 s TYR 228 CO 0.00 0.55 1.29 0.42 -1.57 0.00 0.00 175.55 176.24 1bd4 s ILE 229 N -0.79 2.59 -0.00 2.71 1.01 -1.26 0.25 121.20 125.70 1bd4 s ILE 229 Ca 0.25 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1bd4 s ILE 229 Cb -0.17 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 1bd4 s ILE 229 CO 0.14 0.04 -0.04 -0.69 0.00 0.00 0.00 174.94 174.39 1bd4 s VAL 230 N -1.33 0.32 -0.05 2.92 1.01 0.12 -3.31 120.40 120.08 1bd4 s VAL 230 Ca 0.62 -0.19 0.29 0.00 0.00 0.00 0.00 61.98 62.69 1bd4 s VAL 230 Cb -0.37 -0.27 0.30 0.00 0.00 0.00 0.00 36.38 36.04 1bd4 s VAL 230 CO 0.46 0.08 1.87 1.55 0.00 0.00 0.00 175.10 179.05 1bd4 h PRO 231 N 6.01 0.00 0.00 2.72 0.13 -1.95 -2.57 132.00 136.34 1bd4 h PRO 231 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1bd4 h PRO 231 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bd4 h PRO 231 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1bd4 n GLY 232 N -0.74 0.33 0.00 1.56 0.00 -1.21 -4.80 105.19 100.34 1bd4 n GLY 232 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1bd4 n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bd4 n ILE 233 N -0.48 0.00 0.00 -0.61 3.06 -1.26 -4.80 119.36 115.26 1bd4 n ILE 233 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1bd4 n ILE 233 Cb 0.00 0.26 0.00 0.00 0.54 0.00 0.00 39.64 40.44 1bd4 n ILE 233 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1bd4 n GLY 234 N 1.81 -0.86 3.52 4.50 0.00 -1.26 -4.79 105.19 108.11 1bd4 n GLY 234 Ca 0.00 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1bd4 n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bd4 s ASP 235 N -4.00 6.33 0.08 1.61 -1.08 -1.26 -4.94 116.67 113.41 1bd4 s ASP 235 Ca 0.00 -0.40 -0.34 0.00 -0.52 0.00 0.00 52.55 51.29 1bd4 s ASP 235 Cb 0.00 -2.43 -0.17 0.00 -1.46 0.00 0.00 42.92 38.86 1bd4 s ASP 235 CO 0.00 -1.23 1.59 0.15 0.52 0.00 0.00 175.17 176.20 1bd4 h PHE 236 N 9.32 -1.14 -0.91 -5.34 3.04 -1.99 -1.94 116.94 117.98 1bd4 h PHE 236 Ca -0.26 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 61.83 1bd4 h PHE 236 Cb 1.07 0.42 -0.07 0.00 2.56 0.00 0.00 35.95 39.93 1bd4 h PHE 236 CO 0.91 -0.61 0.58 0.78 -2.02 0.00 0.00 178.31 177.95 1bd4 h GLY 237 N -0.96 1.26 1.79 2.40 0.00 -1.92 0.27 103.07 105.92 1bd4 h GLY 237 Ca -0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1bd4 h GLY 237 CO 0.02 0.08 -0.51 -0.55 0.00 0.00 0.00 176.54 175.58 1bd4 h ASP 238 N 0.71 0.24 0.65 0.19 5.19 -1.86 -1.71 116.42 119.84 1bd4 h ASP 238 Ca 0.46 -0.12 -0.27 0.00 -0.62 0.00 0.00 57.03 56.48 1bd4 h ASP 238 Cb 0.73 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 1bd4 h ASP 238 CO -0.22 0.71 -1.27 0.03 -3.12 0.00 0.00 179.24 175.37 1bd4 h ARG 239 N 0.18 0.22 -0.05 3.56 3.08 -0.30 -2.26 114.38 118.81 1bd4 h ARG 239 Ca 0.01 -0.37 -0.24 0.00 0.07 0.00 0.00 59.98 59.44 1bd4 h ARG 239 Cb 0.96 0.14 0.02 0.00 0.08 0.00 0.00 29.97 31.16 1bd4 h ARG 239 CO 0.08 1.15 -0.92 -0.92 -1.07 0.00 0.00 179.97 178.29 1bd4 h TYR 240 N 0.06 1.02 0.00 3.04 3.20 -0.51 -3.34 116.97 120.44 1bd4 h TYR 240 Ca -0.14 -0.52 -0.02 0.00 3.14 0.00 0.00 58.73 61.19 1bd4 h TYR 240 Cb 1.95 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 1bd4 h TYR 240 CO 0.05 1.35 -1.11 1.19 -1.64 0.00 0.00 178.16 178.00 1bd4 n PHE 241 N -3.92 0.92 -1.41 -3.82 3.72 -0.65 -4.90 117.46 107.41 1bd4 n PHE 241 Ca -0.10 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1bd4 n PHE 241 Cb 0.82 -0.95 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1bd4 n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bd4 n GLY 242 N 1.21 0.86 1.99 1.37 0.00 -0.89 -4.92 105.19 104.81 1bd4 n GLY 242 Ca -0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 1bd4 n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bd4 n THR 243 N -3.07 3.08 0.00 2.61 -2.24 -0.95 -5.04 114.28 108.67 1bd4 n THR 243 Ca 0.00 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.55 1bd4 n THR 243 Cb 0.35 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1bd4 n THR 243 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73