#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irg n VAL 3 N 0.00 0.00 -2.46 0.52 0.24 -1.26 -5.05 118.33 110.32 1irg n VAL 3 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1irg n VAL 3 Cb 0.00 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1irg n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1irg n GLU 4 N -0.56 3.34 -3.55 7.34 -0.58 -1.26 -4.96 120.64 120.40 1irg n GLU 4 Ca 0.00 -4.43 -0.18 0.00 -0.42 0.00 0.00 57.16 52.13 1irg n GLU 4 Cb 0.00 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 28.67 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1irg n ARG 5 N -0.48 -1.53 -2.53 3.49 5.12 -1.26 -4.88 116.66 114.59 1irg n ARG 5 Ca 0.38 1.04 -0.38 0.00 -1.93 0.00 0.00 57.85 56.96 1irg n ARG 5 Cb 0.69 -3.32 -0.04 0.00 -1.16 0.00 0.00 32.46 28.62 1irg n ARG 5 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1irg s MET 6 N -4.20 4.35 0.91 5.56 -1.94 -1.26 -5.03 119.30 117.69 1irg s MET 6 Ca 0.03 1.60 -0.13 0.00 -1.71 0.00 0.00 55.69 55.48 1irg s MET 6 Cb -0.00 -2.78 0.14 0.00 2.01 0.00 0.00 34.83 34.20 1irg s MET 6 CO 0.85 0.00 1.18 0.50 -0.01 0.00 0.00 175.02 177.55 1irg s ARG 7 N -2.11 1.13 0.24 2.03 6.06 -1.26 -4.73 118.95 120.32 1irg s ARG 7 Ca 0.53 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.84 1irg s ARG 7 Cb -0.25 -1.86 0.29 0.00 0.06 0.00 0.00 34.95 33.19 1irg s ARG 7 CO 0.32 -2.16 1.64 1.98 -2.50 0.00 0.00 175.30 174.58 1irg h MET 8 N -1.47 0.52 0.24 5.12 1.85 -1.96 -0.87 114.93 118.36 1irg h MET 8 Ca -0.48 -0.24 -0.01 0.00 -0.61 0.00 0.00 59.70 58.36 1irg h MET 8 Cb 1.31 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.33 1irg h MET 8 CO 0.57 0.80 -0.12 0.00 -0.40 0.00 0.00 176.91 177.76 1irg h ARG 9 N 0.44 -0.31 -0.03 0.39 3.08 -2.00 -1.40 114.38 114.54 1irg h ARG 9 Ca 0.05 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1irg h ARG 9 Cb 0.82 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1irg h ARG 9 CO 0.07 -0.19 -0.54 -1.00 -1.07 0.00 0.00 179.97 177.23 1irg h PRO 10 N -0.35 0.09 -0.72 0.04 0.13 -1.94 -1.37 132.00 127.88 1irg h PRO 10 Ca -0.03 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1irg h PRO 10 Cb 0.26 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1irg h PRO 10 CO 0.05 0.61 0.34 2.35 -0.23 0.00 0.00 178.00 181.12 1irg h TRP 11 N 0.07 1.04 0.03 1.56 7.01 -0.88 -0.48 115.95 124.30 1irg h TRP 11 Ca -0.00 -0.05 -0.26 0.00 2.11 0.00 0.00 58.89 60.69 1irg h TRP 11 Cb 0.98 -0.32 0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1irg h TRP 11 CO 0.01 0.77 -1.05 1.25 -2.79 0.00 0.00 178.44 176.63 1irg h LEU 12 N 1.01 0.73 -1.74 0.65 5.85 -1.11 -1.73 115.31 118.96 1irg h LEU 12 Ca 0.25 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1irg h LEU 12 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1irg h LEU 12 CO -0.03 1.41 0.19 -0.08 -0.34 0.00 0.00 178.44 179.59 1irg h GLU 13 N 0.29 0.35 0.04 1.25 4.81 -0.94 -1.23 114.58 119.15 1irg h GLU 13 Ca -0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1irg h GLU 13 Cb 1.70 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1irg h GLU 13 CO 0.19 0.23 -0.02 1.49 -0.73 0.00 0.00 179.01 180.18 1irg h GLU 14 N 0.36 -0.05 -1.00 1.92 4.22 -1.00 -1.53 114.58 117.50 1irg h GLU 14 Ca 0.10 0.00 0.30 0.00 0.08 0.00 0.00 59.36 59.85 1irg h GLU 14 Cb -0.02 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.10 1irg h GLU 14 CO -0.02 0.11 0.57 1.96 -2.18 0.00 0.00 179.01 179.45 1irg h GLN 15 N -1.01 0.38 0.28 1.92 1.08 -1.21 0.14 115.11 116.68 1irg h GLN 15 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1irg h GLN 15 Cb 0.19 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1irg h GLN 15 CO 0.01 0.25 -0.13 0.82 -0.95 0.00 0.00 178.83 178.82 1irg h ILE 16 N 0.39 0.00 -0.25 2.54 2.04 -1.30 0.36 117.51 121.28 1irg h ILE 16 Ca 0.71 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 66.25 1irg h ILE 16 Cb 1.55 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1irg h ILE 16 CO -0.57 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.15 1irg h ASN 17 N -0.72 -0.72 -0.35 1.72 2.35 -0.42 0.38 115.58 117.83 1irg h ASN 17 Ca -0.04 0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1irg h ASN 17 Cb 0.29 0.31 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1irg h ASN 17 CO 0.06 -0.11 0.24 -1.28 -1.65 0.00 0.00 177.43 174.69 1irg h SER 18 N -0.07 0.31 -3.00 5.81 0.87 -1.14 -3.48 113.55 112.85 1irg h SER 18 Ca 0.04 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1irg h SER 18 Cb 0.18 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1irg h SER 18 CO -0.27 0.21 -0.00 -3.20 -0.53 0.00 0.00 176.83 173.04 1irg n ASN 19 N -4.49 -2.00 -0.00 6.23 5.15 0.13 -5.02 115.26 115.26 1irg n ASN 19 Ca 0.03 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.04 1irg n ASN 19 Cb 0.16 -1.00 -0.05 0.00 -0.53 0.00 0.00 39.78 38.36 1irg n ASN 19 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1irg n THR 20 N -0.08 0.03 -4.75 -0.44 -1.04 -0.08 -4.97 114.28 102.95 1irg n THR 20 Ca 0.00 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.53 1irg n THR 20 Cb 0.00 0.28 -0.16 0.00 -1.82 0.00 0.00 70.33 68.63 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1irg s ILE 21 N -2.42 2.43 -0.96 12.58 -1.09 -1.26 -5.05 121.20 125.42 1irg s ILE 21 Ca -0.02 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 57.29 1irg s ILE 21 Cb 0.04 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 1irg s ILE 21 CO 0.26 0.53 1.70 -2.16 -1.23 0.00 0.00 174.94 174.05 1irg s PRO 22 N 0.65 3.07 0.00 2.79 0.04 -1.26 -2.44 135.00 137.85 1irg s PRO 22 Ca -0.09 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.24 1irg s PRO 22 Cb -0.16 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1irg s PRO 22 CO 0.02 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.67 1irg n GLY 23 N 6.86 0.91 3.41 0.56 0.00 -1.26 -4.91 105.19 110.76 1irg n GLY 23 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 1irg n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1irg s LEU 24 N 0.00 3.18 -0.06 0.99 2.96 -1.02 -2.49 118.68 122.25 1irg s LEU 24 Ca 0.00 -0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 53.34 1irg s LEU 24 Cb 0.00 -1.82 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1irg s LEU 24 CO 0.00 0.02 1.35 -1.59 -1.32 0.00 0.00 176.35 174.81 1irg s LYS 25 N 1.26 0.20 0.22 1.98 0.00 -0.56 -4.64 119.74 118.20 1irg s LYS 25 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 55.97 55.59 1irg s LYS 25 Cb -0.15 0.06 -0.08 0.00 0.00 0.00 0.00 37.83 37.66 1irg s LYS 25 CO 0.01 -0.09 1.01 -1.58 0.00 0.00 0.00 175.35 174.69 1irg s TRP 26 N -2.11 3.81 -0.15 1.78 0.52 -1.26 -1.14 118.94 120.38 1irg s TRP 26 Ca 0.22 1.80 0.16 0.00 0.02 0.00 0.00 56.10 58.31 1irg s TRP 26 Cb 0.03 -3.11 -0.24 0.00 -1.15 0.00 0.00 33.47 29.00 1irg s TRP 26 CO -0.04 0.02 0.25 1.47 0.02 0.00 0.00 176.95 178.67 1irg n LEU 27 N 1.75 0.26 -3.11 2.99 -0.00 -0.31 -4.63 117.00 113.95 1irg n LEU 27 Ca -0.00 0.13 -0.19 0.00 -0.00 0.00 0.00 56.01 55.95 1irg n LEU 27 Cb 0.47 0.40 -0.05 0.00 -0.00 0.00 0.00 43.42 44.24 1irg n LEU 27 CO 0.52 0.46 -0.15 0.59 -0.00 0.00 0.00 177.39 178.81 1irg n ASN 28 N -2.84 -1.26 0.32 1.45 3.02 -1.17 -4.96 115.26 109.82 1irg n ASN 28 Ca -0.28 -2.72 0.21 0.00 -0.03 0.00 0.00 54.58 51.76 1irg n ASN 28 Cb 1.13 0.25 1.03 0.00 -0.61 0.00 0.00 39.78 41.58 1irg n ASN 28 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1irg h LYS 29 N 4.77 0.00 -0.02 3.52 1.63 -1.82 -1.19 116.57 123.46 1irg h LYS 29 Ca 0.10 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1irg h LYS 29 Cb 0.96 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1irg h LYS 29 CO 0.32 0.00 0.02 1.05 -3.45 0.00 0.00 179.45 177.40 1irg h GLU 30 N 0.00 0.00 -0.01 1.90 4.11 -1.93 -1.98 114.58 116.68 1irg h GLU 30 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1irg h GLU 30 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1irg h GLU 30 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1irg n LYS 31 N -3.83 -0.29 -2.21 1.06 4.76 -0.54 -5.00 118.16 112.10 1irg n LYS 31 Ca -0.02 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.70 1irg n LYS 31 Cb 0.11 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1irg n LYS 31 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1irg n LYS 32 N 0.00 0.00 -4.47 1.97 3.00 -0.74 -4.64 118.16 113.28 1irg n LYS 32 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.98 1irg n LYS 32 Cb 0.06 -2.37 -0.12 0.00 0.00 0.00 0.00 35.03 32.60 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1irg s ILE 33 N -2.93 3.76 0.02 3.15 1.09 -0.65 -1.08 121.20 124.56 1irg s ILE 33 Ca 0.00 -0.41 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 1irg s ILE 33 Cb 0.00 -2.63 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 1irg s ILE 33 CO 0.00 0.50 -0.06 0.72 -0.10 0.00 0.00 174.94 176.00 1irg s PHE 34 N 0.31 0.52 0.10 3.97 -0.71 -0.36 -1.17 117.98 120.64 1irg s PHE 34 Ca -0.05 -0.28 0.10 0.00 -1.04 0.00 0.00 56.93 55.67 1irg s PHE 34 Cb -0.14 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1irg s PHE 34 CO 0.03 -0.05 -0.25 1.14 -1.34 0.00 0.00 175.22 174.75 1irg s GLN 35 N -0.79 1.60 0.20 1.99 -2.07 -0.29 0.11 119.66 120.42 1irg s GLN 35 Ca -0.04 -1.24 0.09 0.00 -1.82 0.00 0.00 55.36 52.35 1irg s GLN 35 Cb -0.06 -1.97 -0.04 0.00 -1.09 0.00 0.00 33.01 29.85 1irg s GLN 35 CO 0.00 0.48 -0.07 0.42 -1.32 0.00 0.00 175.29 174.80 1irg s ILE 36 N -0.99 3.26 -0.00 3.63 1.01 -0.74 -1.49 121.20 125.87 1irg s ILE 36 Ca 0.14 -1.73 -0.16 0.00 0.00 0.00 0.00 60.65 58.90 1irg s ILE 36 Cb -0.10 -2.65 -0.34 0.00 0.01 0.00 0.00 42.46 39.38 1irg s ILE 36 CO 0.05 -0.19 0.89 1.55 0.00 0.00 0.00 174.94 177.25 1irg h PRO 37 N 2.62 0.47 0.00 2.79 0.13 -1.73 -1.49 132.00 134.79 1irg h PRO 37 Ca -0.46 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.87 1irg h PRO 37 Cb 1.22 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.64 1irg h PRO 37 CO 0.56 1.38 0.00 0.91 -0.23 0.00 0.00 178.00 180.62 1irg n TRP 38 N -3.76 0.00 0.00 1.56 7.02 -1.26 -2.99 117.44 118.01 1irg n TRP 38 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1irg n TRP 38 Cb 1.05 0.06 0.00 0.00 -2.42 0.00 0.00 31.31 30.00 1irg n TRP 38 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1irg n MET 39 N 1.95 0.00 -3.12 -0.99 2.81 -1.26 -4.71 117.12 111.81 1irg n MET 39 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1irg n MET 39 Cb 0.00 -0.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 1irg n MET 39 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1irg n HIS 40 N -2.19 -1.74 0.00 2.03 8.25 -1.26 -4.68 115.22 115.63 1irg n HIS 40 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1irg n HIS 40 Cb 0.09 -3.09 0.00 0.00 1.12 0.00 0.00 29.99 28.11 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irg n ALA 41 N -3.24 2.47 -2.49 -1.41 0.00 -1.26 -4.92 120.51 109.66 1irg n ALA 41 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1irg n ALA 41 Cb 0.57 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg s ALA 42 N -1.55 2.80 -0.29 0.00 0.00 -1.26 -5.02 121.76 116.43 1irg s ALA 42 Ca 0.00 -1.94 0.24 0.00 0.00 0.00 0.00 51.96 50.25 1irg s ALA 42 Cb 0.00 -0.18 0.49 0.00 0.00 0.00 0.00 23.12 23.43 1irg s ALA 42 CO 0.00 0.21 1.66 -0.09 0.00 0.00 0.00 175.76 177.53 1irg h ARG 43 N 2.20 0.00 0.00 0.00 1.12 -1.97 -3.44 114.38 112.28 1irg h ARG 43 Ca -0.41 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.46 1irg h ARG 43 Cb 1.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1irg h ARG 43 CO 0.63 0.08 0.00 0.72 -3.11 0.00 0.00 179.97 178.29 1irg n HIS 44 N -3.13 -0.05 0.00 2.20 8.25 -1.26 -5.04 115.22 116.20 1irg n HIS 44 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1irg n HIS 44 Cb 0.52 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irg n GLY 45 N 1.04 2.42 3.02 -1.41 0.00 -1.26 -4.76 105.19 104.24 1irg n GLY 45 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1irg n GLY 45 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1irg n TRP 46 N 0.00 -1.70 0.00 1.61 2.14 -1.26 -4.04 117.44 114.18 1irg n TRP 46 Ca 0.00 0.19 0.00 0.00 2.07 0.00 0.00 57.50 59.76 1irg n TRP 46 Cb 0.00 -1.21 0.00 0.00 -0.81 0.00 0.00 31.31 29.29 1irg n TRP 46 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1irg n ASP 47 N -1.72 0.00 -2.72 -0.67 8.00 -1.26 -4.80 116.55 113.38 1irg n ASP 47 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.48 1irg n ASP 47 Cb 0.47 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.61 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1irg n VAL 48 N 0.00 1.08 -0.14 2.53 0.31 -1.26 -4.44 118.33 116.41 1irg n VAL 48 Ca 0.00 -2.98 -0.11 0.00 -0.01 0.00 0.00 64.34 61.24 1irg n VAL 48 Cb 0.00 0.90 0.02 0.00 -0.91 0.00 0.00 33.84 33.85 1irg n VAL 48 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1irg h GLU 49 N 2.84 0.94 -0.89 5.55 4.81 -1.95 -2.90 114.58 122.97 1irg h GLU 49 Ca -0.12 -0.41 0.24 0.00 -0.13 0.00 0.00 59.36 58.95 1irg h GLU 49 Cb 1.21 -0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1irg h GLU 49 CO 0.38 1.07 0.25 0.87 -0.73 0.00 0.00 179.01 180.84 1irg h LYS 50 N 0.80 0.19 -2.11 1.92 1.57 -1.90 0.41 116.57 117.45 1irg h LYS 50 Ca 0.10 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 58.17 1irg h LYS 50 Cb 0.81 -0.04 -0.23 0.00 0.08 0.00 0.00 32.23 32.85 1irg h LYS 50 CO 0.07 0.13 1.02 -0.25 -0.57 0.00 0.00 179.45 179.85 1irg n ASP 51 N -5.23 7.27 0.09 0.86 9.92 -1.10 -4.60 116.55 123.76 1irg n ASP 51 Ca 0.22 -3.57 -0.23 0.00 -0.53 0.00 0.00 54.79 50.69 1irg n ASP 51 Cb 0.72 -1.16 -0.15 0.00 -0.64 0.00 0.00 41.12 39.88 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1irg h ALA 52 N 3.39 0.11 0.04 2.24 0.00 -0.27 -3.25 119.26 121.52 1irg h ALA 52 Ca 0.53 -1.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1irg h ALA 52 Cb 0.29 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1irg h ALA 52 CO 1.24 0.98 -0.02 -1.00 0.00 0.00 0.00 179.25 180.45 1irg h PRO 53 N 0.11 -0.06 -0.30 0.00 0.13 -1.82 -3.11 132.00 126.96 1irg h PRO 53 Ca -0.32 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1irg h PRO 53 Cb 2.10 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 33.21 1irg h PRO 53 CO 0.20 -0.04 -0.18 1.28 -0.23 0.00 0.00 178.00 179.03 1irg n LEU 54 N -2.34 -0.32 -0.19 1.56 4.32 -1.26 0.31 117.00 119.08 1irg n LEU 54 Ca -0.01 1.17 0.03 0.00 -0.02 0.00 0.00 56.01 57.18 1irg n LEU 54 Cb 0.02 -0.39 0.07 0.00 -1.62 0.00 0.00 43.42 41.50 1irg n LEU 54 CO 0.02 -0.75 0.35 0.49 -1.22 0.00 0.00 177.39 176.27 1irg n PHE 55 N -3.65 0.17 0.18 -1.77 3.01 -1.23 0.30 117.46 114.47 1irg n PHE 55 Ca 0.01 0.65 -0.15 0.00 1.01 0.00 0.00 57.45 58.97 1irg n PHE 55 Cb 0.08 -0.80 -0.08 0.00 -0.01 0.00 0.00 39.48 38.67 1irg n PHE 55 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1irg h ARG 56 N 0.00 -0.37 -0.70 -1.08 2.43 -0.07 -1.12 114.38 113.47 1irg h ARG 56 Ca 0.25 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.65 1irg h ARG 56 Cb 0.38 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1irg h ARG 56 CO -0.55 -0.24 0.95 -2.95 -1.51 0.00 0.00 179.97 175.68 1irg h ASN 57 N -0.40 0.00 -0.02 -3.80 7.08 0.54 0.12 115.58 119.10 1irg h ASN 57 Ca -0.04 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.20 1irg h ASN 57 Cb 0.30 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.52 1irg h ASN 57 CO 0.06 0.00 -0.07 -0.50 -2.08 0.00 0.00 177.43 174.84 1irg h TRP 58 N 0.00 -0.18 -0.23 4.14 -0.00 -0.52 0.78 115.95 119.95 1irg h TRP 58 Ca 0.33 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.23 1irg h TRP 58 Cb 2.24 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 31.48 1irg h TRP 58 CO 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 178.44 178.33 1irg n ALA 59 N -2.30 2.64 -0.13 1.49 0.00 0.40 -3.72 120.51 118.90 1irg n ALA 59 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1irg n ALA 59 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1irg n ALA 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1irg n ILE 60 N 0.21 0.00 0.00 0.00 2.08 -0.57 -3.81 119.36 117.27 1irg n ILE 60 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1irg n ILE 60 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 1irg n ILE 60 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1irg n HIS 61 N -2.30 0.00 -0.49 1.39 -0.00 0.25 -1.60 115.22 112.47 1irg n HIS 61 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 57.72 58.15 1irg n HIS 61 Cb 0.00 -0.34 0.72 0.00 -0.00 0.00 0.00 29.99 30.37 1irg n HIS 61 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1irg h THR 62 N 0.00 0.10 -2.72 3.57 1.35 -1.16 -3.45 112.91 110.60 1irg h THR 62 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1irg h THR 62 Cb 0.00 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 1irg h THR 62 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1irg n GLY 63 N -1.83 -0.42 1.39 5.82 0.00 -0.63 -5.04 105.19 104.48 1irg n GLY 63 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1irg n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irg n LYS 64 N -0.63 0.22 0.00 1.61 5.02 -1.24 -4.99 118.16 118.15 1irg n LYS 64 Ca 0.00 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1irg n LYS 64 Cb 0.17 0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1irg n HIS 65 N -0.06 0.00 -3.76 2.13 -0.00 -1.25 -4.81 115.22 107.46 1irg n HIS 65 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.43 1irg n HIS 65 Cb 0.84 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.70 1irg n HIS 65 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1irg s GLN 66 N -2.00 0.23 -0.35 1.57 -0.21 -1.26 -4.44 119.66 113.21 1irg s GLN 66 Ca 0.00 0.41 -0.29 0.00 0.02 0.00 0.00 55.36 55.50 1irg s GLN 66 Cb 0.00 0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.03 1irg s GLN 66 CO 0.00 -0.09 1.26 -1.25 -2.12 0.00 0.00 175.29 173.09 1irg s PRO 67 N 0.65 3.86 0.00 2.91 0.04 -1.26 -2.95 135.00 138.25 1irg s PRO 67 Ca -0.04 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1irg s PRO 67 Cb -0.06 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1irg s PRO 67 CO -0.04 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1irg n GLY 68 N 4.44 1.27 0.00 0.56 0.00 -1.26 -4.90 105.19 105.30 1irg n GLY 68 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1irg n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1irg n ILE 69 N -0.47 0.00 -3.87 -0.61 -0.00 -1.15 -5.08 119.36 108.17 1irg n ILE 69 Ca 0.00 -0.30 -0.05 0.00 -0.00 0.00 0.00 62.75 62.41 1irg n ILE 69 Cb 0.00 0.79 0.02 0.00 -0.00 0.00 0.00 39.64 40.45 1irg n ILE 69 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1irg s ASP 70 N -1.66 0.02 0.68 4.38 -1.08 -1.19 -5.02 116.67 112.79 1irg s ASP 70 Ca 0.00 -0.84 -0.11 0.00 -0.52 0.00 0.00 52.55 51.08 1irg s ASP 70 Cb 0.02 0.61 -0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1irg s ASP 70 CO 0.11 -1.22 1.06 -0.54 0.52 0.00 0.00 175.17 175.10 1irg s LYS 71 N -2.13 3.06 -0.03 4.34 1.02 -1.26 -4.77 119.74 119.96 1irg s LYS 71 Ca 0.21 0.96 -0.01 0.00 0.02 0.00 0.00 55.97 57.14 1irg s LYS 71 Cb -0.03 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1irg s LYS 71 CO 0.07 -1.01 0.11 -1.00 -0.92 0.00 0.00 175.35 172.61 1irg h PRO 72 N -0.54 -0.04 -3.62 -1.68 0.13 -2.02 -3.46 132.00 120.76 1irg h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1irg h PRO 72 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1irg h PRO 72 CO 0.57 -0.03 -0.21 -0.25 -0.23 0.00 0.00 178.00 177.85 1irg n ASP 73 N -3.01 -3.70 0.00 1.44 8.00 -1.26 -4.91 116.55 113.12 1irg n ASP 73 Ca -0.01 0.28 0.14 0.00 0.71 0.00 0.00 54.79 55.91 1irg n ASP 73 Cb 0.02 -2.24 0.68 0.00 -0.02 0.00 0.00 41.12 39.56 1irg n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1irg n PRO 74 N -0.12 0.33 0.05 -0.24 -0.04 -1.26 -3.31 135.00 130.40 1irg n PRO 74 Ca 0.02 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1irg n PRO 74 Cb 0.07 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 1irg n PRO 74 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1irg h LYS 75 N 0.00 0.16 0.00 0.54 1.57 -2.00 -3.29 116.57 113.55 1irg h LYS 75 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1irg h LYS 75 Cb 0.29 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1irg h LYS 75 CO 0.00 0.99 -0.33 2.41 -0.57 0.00 0.00 179.45 181.95 1irg n THR 76 N -3.37 0.08 1.43 -0.16 -1.04 -1.21 -3.49 114.28 106.52 1irg n THR 76 Ca -0.13 -0.05 0.12 0.00 -2.04 0.00 0.00 64.05 61.95 1irg n THR 76 Cb 1.02 -0.08 0.69 0.00 -1.82 0.00 0.00 70.33 70.15 1irg n THR 76 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1irg n TRP 77 N -1.62 0.00 -0.02 -1.42 8.01 -1.22 -3.28 117.44 117.89 1irg n TRP 77 Ca 0.06 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.23 1irg n TRP 77 Cb 0.35 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.31 29.57 1irg n TRP 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1irg n LYS 78 N -1.06 2.67 -0.34 -0.99 0.00 -1.23 -4.54 118.16 112.68 1irg n LYS 78 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.55 1irg n LYS 78 Cb 0.10 -1.08 0.23 0.00 0.00 0.00 0.00 35.03 34.28 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1irg h ALA 79 N 0.12 1.43 -0.05 3.14 0.00 -1.64 0.11 119.26 122.37 1irg h ALA 79 Ca -0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1irg h ALA 79 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1irg h ALA 79 CO 0.00 0.11 -0.34 -0.91 0.00 0.00 0.00 179.25 178.11 1irg h ASN 80 N 0.86 0.09 0.52 0.00 -0.26 -1.83 -3.16 115.58 111.81 1irg h ASN 80 Ca 0.48 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 56.18 1irg h ASN 80 Cb 0.55 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1irg h ASN 80 CO -0.29 0.43 -0.41 0.15 -1.06 0.00 0.00 177.43 176.24 1irg h PHE 81 N 0.08 -1.12 -0.96 1.19 3.04 -1.02 -0.70 116.94 117.45 1irg h PHE 81 Ca 0.01 -0.00 0.27 0.00 3.98 0.00 0.00 57.97 62.23 1irg h PHE 81 Cb 0.64 0.42 -0.05 0.00 2.56 0.00 0.00 35.95 39.53 1irg h PHE 81 CO 0.00 -0.59 0.68 -0.09 -2.02 0.00 0.00 178.31 176.29 1irg h ARG 82 N -0.92 0.09 -0.47 1.11 1.12 -1.50 0.35 114.38 114.16 1irg h ARG 82 Ca -0.06 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.67 1irg h ARG 82 Cb 0.78 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 1irg h ARG 82 CO -0.00 0.06 -0.24 0.00 -3.11 0.00 0.00 179.97 176.67 1irg h ALA 84 N 0.87 1.57 0.05 0.00 0.00 0.66 0.50 119.26 122.90 1irg h ALA 84 Ca 0.10 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.69 1irg h ALA 84 Cb 0.83 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1irg h ALA 84 CO 0.07 -0.50 -1.85 -1.33 0.00 0.00 0.00 179.25 175.64 1irg n MET 85 N -2.95 0.69 0.00 0.00 2.81 -0.92 -3.66 117.12 113.09 1irg n MET 85 Ca 0.00 0.28 0.09 0.00 -1.81 0.00 0.00 57.70 56.26 1irg n MET 85 Cb 0.53 -1.75 0.56 0.00 -0.71 0.00 0.00 33.22 31.85 1irg n MET 85 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1irg n ASN 86 N -3.23 0.00 -0.64 7.83 6.94 0.16 -4.78 115.26 121.54 1irg n ASN 86 Ca -0.24 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1irg n ASN 86 Cb 1.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1irg n SER 87 N -0.81 0.09 -1.48 0.53 2.88 -0.40 -4.91 113.62 109.52 1irg n SER 87 Ca 0.14 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1irg n SER 87 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1irg n SER 87 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1irg n LEU 88 N 0.00 -1.33 -0.77 2.46 4.32 -1.26 -4.61 117.00 115.81 1irg n LEU 88 Ca 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1irg n LEU 88 Cb 0.00 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 1irg n LEU 88 CO 0.00 -1.25 0.23 -0.81 -1.22 0.00 0.00 177.39 174.34 1irg n PRO 89 N 1.84 0.60 0.00 3.23 -0.04 -1.26 -2.44 135.00 136.94 1irg n PRO 89 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1irg n PRO 89 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1irg n PRO 89 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1irg n ASP 90 N 0.47 0.35 -4.76 3.54 5.68 -1.26 -5.00 116.55 115.56 1irg n ASP 90 Ca 0.00 -0.68 -0.39 0.00 -0.50 0.00 0.00 54.79 53.22 1irg n ASP 90 Cb 0.23 0.34 -0.06 0.00 -1.14 0.00 0.00 41.12 40.49 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1irg s ILE 91 N -0.34 4.18 -0.36 2.12 -4.36 -1.02 -1.39 121.20 120.03 1irg s ILE 91 Ca 0.00 1.92 0.02 0.00 -0.26 0.00 0.00 60.65 62.33 1irg s ILE 91 Cb 0.00 -4.20 0.11 0.00 1.25 0.00 0.00 42.46 39.62 1irg s ILE 91 CO 0.00 0.41 0.12 -0.70 0.24 0.00 0.00 174.94 175.01 1irg s GLU 92 N -1.41 1.21 0.28 0.37 2.12 0.15 -4.77 118.70 116.64 1irg s GLU 92 Ca 0.42 -1.67 -0.30 0.00 0.36 0.00 0.00 54.97 53.78 1irg s GLU 92 Cb -0.23 -2.62 -0.11 0.00 0.26 0.00 0.00 34.13 31.43 1irg s GLU 92 CO 0.29 -1.01 1.54 -1.83 -0.54 0.00 0.00 175.26 173.70 1irg s GLU 93 N 0.97 4.17 -0.35 4.30 -1.05 -1.26 -1.02 118.70 124.46 1irg s GLU 93 Ca 0.12 2.48 0.01 0.00 -0.15 0.00 0.00 54.97 57.43 1irg s GLU 93 Cb -0.20 -3.05 0.14 0.00 -0.44 0.00 0.00 34.13 30.58 1irg s GLU 93 CO -0.12 -0.56 0.26 0.08 0.95 0.00 0.00 175.26 175.87 1irg s VAL 94 N -0.01 -0.06 -0.36 1.83 1.01 0.26 -4.91 120.40 118.16 1irg s VAL 94 Ca 0.62 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1irg s VAL 94 Cb -0.46 -0.95 0.68 0.00 0.00 0.00 0.00 36.38 35.65 1irg s VAL 94 CO 0.46 -0.82 1.72 2.29 0.00 0.00 0.00 175.10 178.75 1irg n LYS 95 N 4.25 3.43 -0.10 2.72 2.85 -1.26 -1.11 118.16 128.93 1irg n LYS 95 Ca 0.10 -2.78 0.01 0.00 -1.05 0.00 0.00 58.31 54.60 1irg n LYS 95 Cb 0.40 -2.13 -0.00 0.00 -0.65 0.00 0.00 35.03 32.65 1irg n LYS 95 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1irg n ASP 96 N -0.14 -1.17 -0.09 -5.58 -0.08 -1.26 -4.46 116.55 103.78 1irg n ASP 96 Ca 0.38 0.11 -0.19 0.00 -1.51 0.00 0.00 54.79 53.58 1irg n ASP 96 Cb 1.31 -0.30 -0.06 0.00 2.34 0.00 0.00 41.12 44.41 1irg n ASP 96 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1irg n ARG 97 N -0.83 0.42 -2.44 -0.67 3.00 -1.26 -4.93 116.66 109.95 1irg n ARG 97 Ca 0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 57.85 58.01 1irg n ARG 97 Cb 0.05 -1.20 0.10 0.00 0.00 0.00 0.00 32.46 31.40 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1irg n SER 98 N -3.95 -1.21 0.10 6.15 7.64 -1.26 -5.00 113.62 116.08 1irg n SER 98 Ca -0.34 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1irg n SER 98 Cb 0.70 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1irg n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1irg n ILE 99 N -1.17 0.07 -1.58 0.44 -0.00 -1.26 -4.88 119.36 110.99 1irg n ILE 99 Ca -0.14 0.02 -0.29 0.00 -0.00 0.00 0.00 62.75 62.35 1irg n ILE 99 Cb 0.80 -0.59 -0.05 0.00 -0.00 0.00 0.00 39.64 39.80 1irg n ILE 99 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1irg n LYS 100 N -3.20 2.84 -2.73 0.38 4.81 -1.26 -4.25 118.16 114.74 1irg n LYS 100 Ca 0.00 -2.54 -0.03 0.00 -0.87 0.00 0.00 58.31 54.87 1irg n LYS 100 Cb 0.01 -2.24 0.09 0.00 0.02 0.00 0.00 35.03 32.92 1irg n LYS 100 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1irg n LYS 101 N 1.08 1.46 0.00 1.64 -0.00 -1.26 -4.52 118.16 116.56 1irg n LYS 101 Ca 0.51 -2.32 0.00 0.00 -0.00 0.00 0.00 58.31 56.50 1irg n LYS 101 Cb 0.50 -0.53 0.00 0.00 -0.00 0.00 0.00 35.03 34.99 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1irg n GLY 102 N -0.95 0.48 1.95 2.58 0.00 -1.26 -4.89 105.19 103.10 1irg n GLY 102 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1irg n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1irg n ASN 103 N 0.00 5.36 -0.08 1.61 4.13 -1.26 -4.30 115.26 120.72 1irg n ASN 103 Ca 0.00 -3.05 -0.21 0.00 1.68 0.00 0.00 54.58 53.00 1irg n ASN 103 Cb 0.00 -0.72 -0.12 0.00 -1.54 0.00 0.00 39.78 37.40 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1irg n ASN 104 N 0.30 2.02 -1.29 6.41 4.13 -1.26 -5.09 115.26 120.47 1irg n ASN 104 Ca 0.34 0.09 -0.00 0.00 1.68 0.00 0.00 54.58 56.68 1irg n ASN 104 Cb 1.29 -0.67 -0.00 0.00 -1.54 0.00 0.00 39.78 38.86 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irg n ALA 105 N -3.30 -2.99 -3.63 5.41 0.00 -1.26 -4.99 120.51 109.74 1irg n ALA 105 Ca -0.41 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1irg n ALA 105 Cb 0.97 -0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 1irg n ALA 105 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1irg s PHE 106 N -0.03 -0.84 -0.37 0.00 0.08 -1.16 -4.56 117.98 111.10 1irg s PHE 106 Ca -0.01 1.94 0.03 0.00 0.12 0.00 0.00 56.93 59.01 1irg s PHE 106 Cb 0.00 0.35 0.15 0.00 -0.57 0.00 0.00 43.02 42.95 1irg s PHE 106 CO 0.02 -0.41 0.35 0.50 -0.10 0.00 0.00 175.22 175.59 1irg s ARG 107 N 0.65 0.62 -0.47 0.44 3.52 -0.56 -4.49 118.95 118.65 1irg s ARG 107 Ca -0.02 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 1irg s ARG 107 Cb -0.05 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.57 1irg s ARG 107 CO -0.04 -1.19 1.26 0.08 -0.81 0.00 0.00 175.30 174.60 1irg s VAL 108 N 1.42 4.05 -0.17 7.11 1.01 -0.27 -1.79 120.40 131.76 1irg s VAL 108 Ca 0.17 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 1irg s VAL 108 Cb -0.16 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1irg s VAL 108 CO -0.04 -0.96 0.25 -0.31 0.00 0.00 0.00 175.10 174.03 1irg s TYR 109 N 4.96 3.46 -0.22 5.22 1.51 0.12 0.90 117.35 133.29 1irg s TYR 109 Ca 0.53 0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 57.02 1irg s TYR 109 Cb -0.10 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1irg s TYR 109 CO 0.31 0.28 0.11 0.50 -1.11 0.00 0.00 175.55 175.64 1irg s ARG 110 N 0.36 3.96 -0.38 -0.62 3.52 -0.18 -1.23 118.95 124.38 1irg s ARG 110 Ca 0.14 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.28 1irg s ARG 110 Cb -0.12 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1irg s ARG 110 CO 0.02 0.08 0.25 -1.64 -0.81 0.00 0.00 175.30 173.21 1irg s MET 111 N 0.95 3.09 0.17 5.12 -1.94 -0.24 0.30 119.30 126.76 1irg s MET 111 Ca 0.06 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 52.83 1irg s MET 111 Cb -0.13 -3.85 -0.08 0.00 2.01 0.00 0.00 34.83 32.77 1irg s MET 111 CO 0.03 -0.64 0.90 -0.51 -0.01 0.00 0.00 175.02 174.79 1irg s LEU 112 N 1.66 4.58 0.00 -0.03 1.43 -0.48 -4.54 118.68 121.29 1irg s LEU 112 Ca 0.05 1.81 0.29 0.00 -1.03 0.00 0.00 54.13 55.25 1irg s LEU 112 Cb -0.18 -3.52 1.75 0.00 0.03 0.00 0.00 46.19 44.27 1irg s LEU 112 CO 0.09 0.09 2.09 -0.81 0.23 0.00 0.00 176.35 178.04