#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 -5.22 -1.31 0.52 0.31 -1.26 -4.73 118.33 106.64 1irg n VAL 3 Ca 0.00 2.35 0.00 0.00 -0.01 0.00 0.00 64.34 66.68 1irg n VAL 3 Cb 0.00 -3.19 0.00 0.00 -0.91 0.00 0.00 33.84 29.74 1irg n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1irg n GLU 4 N 0.08 0.00 -3.49 5.55 1.02 -1.26 -4.09 120.64 118.45 1irg n GLU 4 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1irg n GLU 4 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1irg n GLU 4 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1irg n ARG 5 N 0.00 2.04 -0.61 3.49 0.00 -1.26 -5.10 116.66 115.23 1irg n ARG 5 Ca 0.00 -4.38 -0.26 0.00 -0.00 0.00 0.00 57.85 53.21 1irg n ARG 5 Cb 0.00 -2.10 0.16 0.00 -0.00 0.00 0.00 32.46 30.51 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1irg n MET 6 N 1.24 -1.92 -4.30 2.89 2.81 -1.26 -5.02 117.12 111.57 1irg n MET 6 Ca 0.27 -0.56 -0.18 0.00 -1.81 0.00 0.00 57.70 55.42 1irg n MET 6 Cb 0.42 -1.55 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 1irg n MET 6 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1irg s ARG 7 N -3.40 1.18 0.37 0.03 3.00 -1.26 -4.84 118.95 114.04 1irg s ARG 7 Ca 0.46 -1.46 0.12 0.00 0.00 0.00 0.00 55.73 54.85 1irg s ARG 7 Cb -0.07 -0.96 0.73 0.00 0.00 0.00 0.00 34.95 34.64 1irg s ARG 7 CO 0.50 0.16 1.84 1.98 0.00 0.00 0.00 175.30 179.79 1irg h MET 8 N 2.90 0.05 0.38 3.54 1.85 -1.98 -0.60 114.93 121.07 1irg h MET 8 Ca -0.38 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.67 1irg h MET 8 Cb 1.21 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1irg h MET 8 CO 0.59 0.38 -0.18 0.00 -0.40 0.00 0.00 176.91 177.29 1irg h ARG 9 N 0.04 -0.49 0.00 0.39 2.47 -1.99 -1.48 114.38 113.32 1irg h ARG 9 Ca 0.00 0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 1irg h ARG 9 Cb 0.61 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1irg h ARG 9 CO 0.04 -0.19 -0.36 -1.00 0.56 0.00 0.00 179.97 179.02 1irg h PRO 10 N -0.78 0.00 -0.23 0.04 0.13 -1.97 -1.46 132.00 127.73 1irg h PRO 10 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1irg h PRO 10 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1irg h PRO 10 CO 0.09 0.36 0.06 2.35 -0.23 0.00 0.00 178.00 180.63 1irg h TRP 11 N 0.00 0.38 -0.31 1.56 7.01 -0.99 -0.22 115.95 123.38 1irg h TRP 11 Ca -0.00 -0.04 -0.12 0.00 2.11 0.00 0.00 58.89 60.83 1irg h TRP 11 Cb 0.72 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1irg h TRP 11 CO 0.00 0.45 -0.31 -0.07 -2.79 0.00 0.00 178.44 175.73 1irg h LEU 12 N 0.19 0.68 -1.56 0.65 4.07 -1.03 -1.53 115.31 116.78 1irg h LEU 12 Ca 0.07 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.73 1irg h LEU 12 Cb 0.26 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1irg h LEU 12 CO -0.00 0.94 -0.05 -0.08 -1.08 0.00 0.00 178.44 178.17 1irg h GLU 13 N 0.56 0.22 0.01 1.13 4.22 -0.96 -1.10 114.58 118.66 1irg h GLU 13 Ca 0.07 -0.04 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 1irg h GLU 13 Cb 0.80 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1irg h GLU 13 CO 0.07 0.29 -0.50 0.93 -2.18 0.00 0.00 179.01 177.62 1irg h GLU 14 N 0.22 0.31 -0.44 1.92 5.08 -0.48 -1.27 114.58 119.92 1irg h GLU 14 Ca 0.05 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1irg h GLU 14 Cb 0.23 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1irg h GLU 14 CO 0.01 1.06 0.09 1.96 -1.00 0.00 0.00 179.01 181.13 1irg h GLN 15 N -0.28 0.66 0.18 2.33 1.08 -1.04 -1.04 115.11 117.00 1irg h GLN 15 Ca -0.07 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1irg h GLN 15 Cb 1.25 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1irg h GLN 15 CO 0.10 0.62 -0.09 0.82 -0.95 0.00 0.00 178.83 179.33 1irg h ILE 16 N 0.64 0.00 -0.48 2.54 2.04 -1.26 0.43 117.51 121.42 1irg h ILE 16 Ca 0.14 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1irg h ILE 16 Cb 0.27 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.26 1irg h ILE 16 CO 0.00 0.00 -0.14 -1.13 0.00 0.00 0.00 178.15 176.88 1irg h ASN 17 N -1.01 -0.51 0.89 1.72 -1.24 -1.25 -0.00 115.58 114.18 1irg h ASN 17 Ca -0.03 0.15 -0.14 0.00 0.71 0.00 0.00 56.30 57.00 1irg h ASN 17 Cb 0.19 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 1irg h ASN 17 CO 0.04 -0.18 -0.66 0.28 -1.29 0.00 0.00 177.43 175.62 1irg h SER 18 N -0.02 0.00 -3.80 1.15 0.02 -1.31 -3.49 113.55 106.10 1irg h SER 18 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1irg h SER 18 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1irg h SER 18 CO -0.51 0.66 -0.15 0.59 -1.14 0.00 0.00 176.83 176.28 1irg n ASN 19 N -3.54 -4.07 0.14 3.07 3.02 0.14 -4.95 115.26 109.07 1irg n ASN 19 Ca -0.00 0.16 0.09 0.00 -0.03 0.00 0.00 54.58 54.79 1irg n ASN 19 Cb 0.70 -2.53 0.05 0.00 -0.61 0.00 0.00 39.78 37.39 1irg n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irg h THR 20 N 0.61 0.20 -4.25 3.41 1.03 -1.46 -3.45 112.91 109.00 1irg h THR 20 Ca 0.00 -1.33 -0.62 0.00 -0.01 0.00 0.00 66.41 64.45 1irg h THR 20 Cb 0.45 1.89 -0.30 0.00 -1.07 0.00 0.00 68.15 69.11 1irg h THR 20 CO 0.07 0.12 -0.86 -0.63 -0.01 0.00 0.00 175.52 174.21 1irg s ILE 21 N -3.19 1.71 -1.22 0.00 -1.09 -1.26 -5.05 121.20 111.10 1irg s ILE 21 Ca 0.02 -0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 57.33 1irg s ILE 21 Cb 0.08 -1.43 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 1irg s ILE 21 CO 0.75 0.48 1.82 -2.16 -1.23 0.00 0.00 174.94 174.60 1irg s PRO 22 N -0.32 3.24 0.00 2.79 0.04 -1.26 -2.45 135.00 137.04 1irg s PRO 22 Ca 0.03 -1.51 0.00 0.00 0.04 0.00 0.00 61.00 59.56 1irg s PRO 22 Cb -0.10 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1irg s PRO 22 CO 0.01 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.38 1irg n GLY 23 N 5.72 0.31 3.44 0.56 0.00 -1.26 -5.00 105.19 108.96 1irg n GLY 23 Ca 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 3.13 0.00 0.99 2.96 -1.03 -3.48 118.68 121.26 1irg s LEU 24 Ca 0.00 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 1irg s LEU 24 Cb 0.00 -1.77 0.08 0.00 0.50 0.00 0.00 46.19 45.01 1irg s LEU 24 CO 0.00 0.11 1.14 2.29 -1.32 0.00 0.00 176.35 178.57 1irg n LYS 25 N 3.93 0.19 -2.76 1.98 -0.00 -0.43 -4.57 118.16 116.50 1irg n LYS 25 Ca -0.17 -0.74 -0.43 0.00 -0.00 0.00 0.00 58.31 56.97 1irg n LYS 25 Cb 0.52 1.20 -0.04 0.00 -0.00 0.00 0.00 35.03 36.71 1irg n LYS 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1irg s TRP 26 N -2.15 2.74 0.39 5.58 0.52 -1.26 -1.04 118.94 123.72 1irg s TRP 26 Ca 0.27 0.14 0.08 0.00 0.02 0.00 0.00 56.10 56.60 1irg s TRP 26 Cb -0.01 -4.20 0.79 0.00 -1.15 0.00 0.00 33.47 28.90 1irg s TRP 26 CO -0.00 -1.41 1.95 -0.07 0.02 0.00 0.00 176.95 177.44 1irg h LEU 27 N 11.23 0.33 -5.00 2.99 3.38 -0.46 -3.36 115.31 124.42 1irg h LEU 27 Ca -0.26 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.48 1irg h LEU 27 Cb 1.07 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1irg h LEU 27 CO 1.11 0.39 -0.49 0.59 0.09 0.00 0.00 178.44 180.14 1irg n ASN 28 N -4.34 -3.17 0.27 -0.43 3.02 -1.00 -4.98 115.26 104.63 1irg n ASN 28 Ca 0.00 -3.11 0.17 0.00 -0.03 0.00 0.00 54.58 51.61 1irg n ASN 28 Cb 0.21 1.79 0.89 0.00 -0.61 0.00 0.00 39.78 42.06 1irg n ASN 28 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1irg h LYS 29 N 4.48 0.00 -0.37 3.52 -0.00 -1.72 0.24 116.57 122.71 1irg h LYS 29 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.65 1irg h LYS 29 Cb 1.07 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.26 1irg h LYS 29 CO 0.17 0.00 0.11 1.05 -0.00 0.00 0.00 179.45 180.78 1irg h GLU 30 N 0.00 0.24 -0.01 0.07 4.11 -1.93 -0.97 114.58 116.09 1irg h GLU 30 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1irg h GLU 30 Cb 0.14 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1irg h GLU 30 CO 0.00 0.16 -0.37 1.63 0.07 0.00 0.00 179.01 180.51 1irg n LYS 31 N -5.04 1.04 -1.55 1.06 5.02 -0.45 -4.97 118.16 113.27 1irg n LYS 31 Ca 0.02 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1irg n LYS 31 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1irg n LYS 32 N -0.32 0.00 -3.98 1.97 4.76 -0.05 -4.74 118.16 115.80 1irg n LYS 32 Ca 0.11 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.20 1irg n LYS 32 Cb 0.41 -1.87 -0.14 0.00 -1.84 0.00 0.00 35.03 31.59 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1irg s ILE 33 N -2.68 3.30 -0.07 -0.18 1.09 -0.57 -0.91 121.20 121.18 1irg s ILE 33 Ca 0.00 -0.52 0.02 0.00 -1.10 0.00 0.00 60.65 59.05 1irg s ILE 33 Cb 0.00 -2.49 0.01 0.00 -1.06 0.00 0.00 42.46 38.92 1irg s ILE 33 CO 0.00 0.44 -0.13 0.72 -0.10 0.00 0.00 174.94 175.87 1irg s PHE 34 N 1.38 1.54 -0.00 3.97 -0.12 -0.19 0.34 117.98 124.89 1irg s PHE 34 Ca 0.05 -0.59 0.02 0.00 -0.05 0.00 0.00 56.93 56.36 1irg s PHE 34 Cb -0.14 -1.12 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 1irg s PHE 34 CO -0.03 -0.30 -0.03 1.14 -0.05 0.00 0.00 175.22 175.95 1irg s GLN 35 N 0.70 2.70 0.19 1.99 -2.07 -0.20 -0.57 119.66 122.39 1irg s GLN 35 Ca -0.14 -0.65 0.11 0.00 -1.82 0.00 0.00 55.36 52.87 1irg s GLN 35 Cb -0.16 -2.60 -0.04 0.00 -1.09 0.00 0.00 33.01 29.11 1irg s GLN 35 CO 0.03 0.62 -0.24 0.42 -1.32 0.00 0.00 175.29 174.80 1irg s ILE 36 N -1.04 2.36 0.01 3.63 1.01 -0.70 -1.32 121.20 125.14 1irg s ILE 36 Ca 0.18 -2.00 -0.10 0.00 0.00 0.00 0.00 60.65 58.73 1irg s ILE 36 Cb -0.11 -2.12 -0.32 0.00 0.01 0.00 0.00 42.46 39.92 1irg s ILE 36 CO 0.09 -0.09 0.89 1.55 0.00 0.00 0.00 174.94 177.38 1irg h PRO 37 N 3.28 0.41 0.00 2.79 0.13 -1.87 0.18 132.00 136.91 1irg h PRO 37 Ca -0.47 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 63.96 1irg h PRO 37 Cb 1.20 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1irg h PRO 37 CO 0.47 1.32 0.00 0.91 -0.23 0.00 0.00 178.00 180.46 1irg n TRP 38 N -3.60 0.00 0.00 1.56 7.02 -1.26 -4.49 117.44 116.67 1irg n TRP 38 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1irg n TRP 38 Cb 1.08 0.04 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 0.00 -2.02 0.00 0.00 177.69 175.67 1irg n MET 39 N 9.96 1.90 -3.38 -0.99 0.00 -1.26 -3.90 117.12 119.45 1irg n MET 39 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 1irg n MET 39 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 33.22 32.44 1irg n MET 39 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1irg n HIS 40 N -1.46 -2.62 0.01 3.17 -0.00 -1.26 -4.79 115.22 108.27 1irg n HIS 40 Ca 0.00 1.04 0.00 0.00 0.46 0.00 0.00 57.72 59.22 1irg n HIS 40 Cb 0.28 -3.36 0.00 0.00 -0.12 0.00 0.00 29.99 26.79 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1irg n ALA 41 N -1.86 0.00 -2.83 1.57 0.00 -1.26 -5.13 120.51 111.00 1irg n ALA 41 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 1irg n ALA 41 Cb 0.59 0.00 -0.05 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 -1.39 3.68 0.45 0.00 0.00 -1.26 -4.98 121.76 118.25 1irg s ALA 42 Ca 0.00 -1.10 0.37 0.00 0.00 0.00 0.00 51.96 51.23 1irg s ALA 42 Cb 0.00 -1.49 1.89 0.00 0.00 0.00 0.00 23.12 23.52 1irg s ALA 42 CO 0.00 0.60 2.19 -0.09 0.00 0.00 0.00 175.76 178.46 1irg h ARG 43 N 2.64 0.00 0.00 0.00 2.43 -1.97 -3.43 114.38 114.05 1irg h ARG 43 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1irg h ARG 43 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1irg h ARG 43 CO 0.66 0.03 0.00 1.58 -1.51 0.00 0.00 179.97 180.72 1irg n HIS 44 N -3.24 0.00 0.00 2.20 -0.00 -1.26 -5.14 115.22 107.78 1irg n HIS 44 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1irg n HIS 44 Cb 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irg n GLY 45 N 0.25 1.57 2.20 1.57 0.00 -1.26 -4.68 105.19 104.84 1irg n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.72 0.00 1.61 2.14 -1.26 -3.89 117.44 114.32 1irg n TRP 46 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1irg n TRP 46 Cb 0.00 -0.87 0.00 0.00 -0.81 0.00 0.00 31.31 29.63 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 -1.24 0.00 -3.13 -0.67 8.00 -1.26 -4.84 116.55 113.41 1irg n ASP 47 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 1irg n ASP 47 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.51 0.10 2.53 0.31 -1.25 -4.14 118.33 115.37 1irg n VAL 48 Ca 0.00 -3.79 0.11 0.00 -0.01 0.00 0.00 64.34 60.65 1irg n VAL 48 Cb 0.00 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 31.73 1irg n VAL 48 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1irg n GLU 49 N 1.19 0.61 -0.05 5.55 2.13 -1.26 -3.87 120.64 124.94 1irg n GLU 49 Ca 0.20 0.12 -0.12 0.00 0.66 0.00 0.00 57.16 58.02 1irg n GLU 49 Cb 0.57 -1.82 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1irg h LYS 50 N 0.00 0.29 -1.15 5.31 1.57 -1.91 -2.80 116.57 117.88 1irg h LYS 50 Ca -0.01 -0.10 -0.36 0.00 -1.87 0.00 0.00 60.65 58.32 1irg h LYS 50 Cb 1.03 -0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.14 1irg h LYS 50 CO 0.00 0.53 0.46 -0.25 -0.57 0.00 0.00 179.45 179.62 1irg n ASP 51 N -4.72 4.75 0.08 0.86 9.92 -1.25 -4.31 116.55 121.87 1irg n ASP 51 Ca -0.05 -3.09 0.12 0.00 -0.53 0.00 0.00 54.79 51.24 1irg n ASP 51 Cb 0.23 -0.84 0.03 0.00 -0.64 0.00 0.00 41.12 39.90 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1irg n ALA 52 N -0.30 2.72 0.02 2.24 0.00 -1.06 -3.47 120.51 120.66 1irg n ALA 52 Ca 0.37 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1irg n ALA 52 Cb 0.98 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 1irg n ALA 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1irg h PRO 53 N 0.00 0.65 0.10 0.00 0.13 -1.80 -3.04 132.00 128.04 1irg h PRO 53 Ca 0.00 -0.62 -0.21 0.00 -0.87 0.00 0.00 66.00 64.30 1irg h PRO 53 Cb 0.92 0.15 0.02 0.00 0.13 0.00 0.00 31.00 32.22 1irg h PRO 53 CO 0.00 1.22 -0.89 -0.07 -0.23 0.00 0.00 178.00 178.03 1irg h LEU 54 N 0.41 0.61 -1.70 1.56 4.07 -1.90 -3.10 115.31 115.25 1irg h LEU 54 Ca -0.08 -0.86 0.01 0.00 0.08 0.00 0.00 57.88 57.03 1irg h LEU 54 Cb 1.53 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 43.07 1irg h LEU 54 CO 0.17 1.41 0.44 -0.26 -1.08 0.00 0.00 178.44 179.13 1irg h PHE 55 N -0.10 0.00 0.00 1.13 -1.00 -1.62 -0.98 116.94 114.37 1irg h PHE 55 Ca -0.14 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 1irg h PHE 55 Cb 1.64 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.19 1irg h PHE 55 CO 0.16 0.00 -0.15 -0.09 -1.61 0.00 0.00 178.31 176.62 1irg h ARG 56 N 0.00 0.00 -1.92 1.51 9.65 -1.45 -3.24 114.38 118.94 1irg h ARG 56 Ca 0.01 0.00 0.56 0.00 -1.10 0.00 0.00 59.98 59.45 1irg h ARG 56 Cb 0.90 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.39 1irg h ARG 56 CO -0.00 0.65 1.37 -0.91 2.80 0.00 0.00 179.97 183.88 1irg h ASN 57 N -1.00 0.01 -2.97 -3.80 2.35 -1.24 -3.40 115.58 105.53 1irg h ASN 57 Ca -0.03 0.01 -0.54 0.00 -0.55 0.00 0.00 56.30 55.18 1irg h ASN 57 Cb 0.70 0.01 0.22 0.00 0.05 0.00 0.00 38.32 39.30 1irg h ASN 57 CO -0.02 -0.01 -0.91 0.79 -1.65 0.00 0.00 177.43 175.62 1irg n TRP 58 N -3.99 -2.43 0.00 1.19 5.03 -1.15 -1.37 117.44 114.72 1irg n TRP 58 Ca 0.44 0.18 0.00 0.00 3.03 0.00 0.00 57.50 61.14 1irg n TRP 58 Cb 1.96 -1.70 0.00 0.00 -1.03 0.00 0.00 31.31 30.54 1irg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1irg n ALA 59 N -3.11 0.00 0.00 6.99 0.00 -1.26 -4.40 120.51 118.73 1irg n ALA 59 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1irg n ALA 59 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 1irg n ALA 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1irg h ILE 60 N 0.00 0.83 -3.10 0.00 1.08 -1.44 0.16 117.51 115.05 1irg h ILE 60 Ca 0.00 -2.60 -0.45 0.00 -0.39 0.00 0.00 64.86 61.41 1irg h ILE 60 Cb 0.00 2.52 0.05 0.00 -3.07 0.00 0.00 36.82 36.32 1irg h ILE 60 CO 0.00 0.70 0.06 -2.28 -0.69 0.00 0.00 178.15 175.94 1irg s HIS 61 N -2.59 3.01 -0.99 1.37 2.46 -0.47 -4.00 115.29 114.08 1irg s HIS 61 Ca -0.11 0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.69 1irg s HIS 61 Cb 0.07 -2.80 0.00 0.00 -0.13 0.00 0.00 32.58 29.73 1irg s HIS 61 CO 0.81 -0.92 0.00 0.25 -2.47 0.00 0.00 174.74 172.41 1irg n THR 62 N -2.50 0.00 -3.98 0.89 -2.24 -1.26 -3.12 114.28 102.06 1irg n THR 62 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1irg n THR 62 Cb 0.59 -1.36 0.02 0.00 -2.10 0.00 0.00 70.33 67.48 1irg n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1irg n GLY 63 N 0.30 -0.93 0.00 3.38 0.00 -1.26 -4.85 105.19 101.83 1irg n GLY 63 Ca -0.09 0.39 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.56 2.60 -3.55 1.61 4.01 -1.18 -5.03 118.16 112.06 1irg n LYS 64 Ca -0.14 -0.03 -0.16 0.00 -0.51 0.00 0.00 58.31 57.46 1irg n LYS 64 Cb 0.59 -1.03 -0.06 0.00 -0.51 0.00 0.00 35.03 34.02 1irg n LYS 64 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1irg s HIS 65 N -2.13 -0.65 -0.10 2.13 5.04 0.56 -4.92 115.29 115.22 1irg s HIS 65 Ca 0.01 1.20 0.01 0.00 -1.54 0.00 0.00 55.06 54.74 1irg s HIS 65 Cb 0.06 0.39 0.02 0.00 0.04 0.00 0.00 32.58 33.09 1irg s HIS 65 CO 0.36 -0.54 -0.13 -1.14 -2.34 0.00 0.00 174.74 170.95 1irg s GLN 66 N -0.91 1.90 -0.05 2.88 0.74 -1.26 -4.26 119.66 118.70 1irg s GLN 66 Ca -0.08 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 1irg s GLN 66 Cb -0.01 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.40 1irg s GLN 66 CO 0.07 -0.08 1.13 -1.25 -0.55 0.00 0.00 175.29 174.61 1irg s PRO 67 N 1.05 4.40 0.00 1.67 0.04 -1.26 -1.98 135.00 138.92 1irg s PRO 67 Ca -0.06 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1irg s PRO 67 Cb -0.15 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1irg s PRO 67 CO -0.01 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1irg n GLY 68 N 3.22 0.10 0.31 0.56 0.00 -1.26 -4.84 105.19 103.29 1irg n GLY 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.90 0.00 -4.69 -0.61 5.41 -1.17 -5.10 119.36 111.30 1irg n ILE 69 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 1irg n ILE 69 Cb 0.00 -0.66 -0.08 0.00 -0.71 0.00 0.00 39.64 38.19 1irg n ILE 69 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1irg s ASP 70 N -4.15 3.73 0.21 4.38 1.01 -0.84 -5.06 116.67 115.96 1irg s ASP 70 Ca 0.00 -1.68 -0.12 0.00 0.71 0.00 0.00 52.55 51.46 1irg s ASP 70 Cb 0.00 0.56 -0.07 0.00 1.01 0.00 0.00 42.92 44.41 1irg s ASP 70 CO 0.00 -0.90 0.57 -0.54 0.21 0.00 0.00 175.17 174.51 1irg s LYS 71 N -3.82 3.88 -0.26 8.23 1.02 -1.26 -4.74 119.74 122.79 1irg s LYS 71 Ca 0.10 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.19 1irg s LYS 71 Cb 0.01 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1irg s LYS 71 CO 0.06 0.35 1.15 -1.25 -0.92 0.00 0.00 175.35 174.75 1irg s PRO 72 N -2.55 4.12 -0.31 -1.68 0.04 -1.26 -4.90 135.00 128.45 1irg s PRO 72 Ca 0.45 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1irg s PRO 72 Cb -0.12 -3.75 0.09 0.00 0.04 0.00 0.00 34.50 30.76 1irg s PRO 72 CO 0.20 -0.84 0.05 -0.51 0.04 0.00 0.00 177.00 175.95 1irg s ASP 73 N 1.83 4.37 0.00 6.66 1.11 -1.26 -4.94 116.67 124.44 1irg s ASP 73 Ca 0.49 -1.83 0.26 0.00 0.18 0.00 0.00 52.55 51.66 1irg s ASP 73 Cb -0.16 -1.28 1.15 0.00 1.07 0.00 0.00 42.92 43.70 1irg s ASP 73 CO 0.14 -0.37 1.85 -0.81 1.18 0.00 0.00 175.17 177.16 1irg n PRO 74 N 4.53 0.06 0.24 8.23 -0.04 -1.26 -3.41 135.00 143.35 1irg n PRO 74 Ca -0.01 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1irg n PRO 74 Cb 0.42 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.96 1irg n PRO 74 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1irg h LYS 75 N 0.00 0.02 0.05 0.54 5.09 -2.02 -2.94 116.57 117.31 1irg h LYS 75 Ca 0.00 -0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.37 1irg h LYS 75 Cb 0.42 -0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.70 1irg h LYS 75 CO 0.00 0.09 -2.20 2.41 -2.09 0.00 0.00 179.45 177.65 1irg n THR 76 N -4.45 1.62 0.07 0.07 -1.04 -1.22 -4.10 114.28 105.23 1irg n THR 76 Ca -0.03 -0.65 0.20 0.00 -2.04 0.00 0.00 64.05 61.54 1irg n THR 76 Cb 0.16 -1.45 0.65 0.00 -1.82 0.00 0.00 70.33 67.87 1irg n THR 76 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1irg h TRP 77 N 0.03 0.00 0.21 -1.42 6.55 -1.61 0.27 115.95 119.98 1irg h TRP 77 Ca -0.49 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.02 1irg h TRP 77 Cb 1.99 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 30.31 1irg h TRP 77 CO 0.05 0.00 -1.59 0.87 -1.05 0.00 0.00 178.44 176.72 1irg h LYS 78 N 0.00 0.43 -0.02 0.49 1.57 -1.68 -3.27 116.57 114.10 1irg h LYS 78 Ca 0.22 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1irg h LYS 78 Cb 1.48 0.28 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1irg h LYS 78 CO -0.00 1.34 0.00 0.00 -0.57 0.00 0.00 179.45 180.22 1irg n ALA 79 N -2.76 2.64 0.10 3.86 0.00 0.76 -3.37 120.51 121.73 1irg n ALA 79 Ca -0.20 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.08 1irg n ALA 79 Cb 1.08 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1irg n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1irg n ASN 80 N -0.56 0.85 -0.10 0.00 5.03 -0.14 -3.75 115.26 116.58 1irg n ASN 80 Ca 0.21 0.33 -0.20 0.00 0.87 0.00 0.00 54.58 55.79 1irg n ASN 80 Cb 0.18 0.43 -0.10 0.00 -1.02 0.00 0.00 39.78 39.27 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1irg n PHE 81 N -2.69 0.89 -0.29 3.10 -0.00 -1.22 -3.76 117.46 113.49 1irg n PHE 81 Ca -0.01 0.39 0.15 0.00 -0.00 0.00 0.00 57.45 57.98 1irg n PHE 81 Cb 0.57 -1.04 0.41 0.00 -0.00 0.00 0.00 39.48 39.42 1irg n PHE 81 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1irg h ARG 82 N -1.00 0.59 -0.33 -4.13 2.43 -1.76 0.22 114.38 110.39 1irg h ARG 82 Ca -0.34 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1irg h ARG 82 Cb 1.23 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1irg h ARG 82 CO -0.20 0.39 0.20 0.00 -1.51 0.00 0.00 179.97 178.84 1irg h ALA 84 N 1.07 2.34 0.08 0.00 0.00 -1.04 0.82 119.26 122.54 1irg h ALA 84 Ca 0.12 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.66 1irg h ALA 84 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1irg h ALA 84 CO -0.02 -1.05 -1.93 -1.33 0.00 0.00 0.00 179.25 174.92 1irg n MET 85 N -3.38 0.72 -0.04 0.00 2.81 -0.33 -3.76 117.12 113.14 1irg n MET 85 Ca 0.12 0.27 0.03 0.00 -1.81 0.00 0.00 57.70 56.30 1irg n MET 85 Cb 0.95 -1.73 0.13 0.00 -0.71 0.00 0.00 33.22 31.86 1irg n MET 85 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1irg n ASN 86 N -3.34 0.44 0.00 7.83 3.02 0.24 -4.81 115.26 118.65 1irg n ASN 86 Ca -0.28 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1irg n ASN 86 Cb 1.05 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1irg n SER 87 N -0.30 0.79 -1.52 6.41 2.88 0.11 -4.96 113.62 117.02 1irg n SER 87 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1irg n SER 87 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.61 -0.13 2.46 4.32 -1.26 -4.66 117.00 116.12 1irg n LEU 88 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1irg n LEU 88 Cb 0.00 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1irg n LEU 88 CO 0.00 -1.31 0.25 -0.81 -1.22 0.00 0.00 177.39 174.30 1irg n PRO 89 N 1.84 0.59 0.00 3.23 -0.04 -1.26 -2.38 135.00 136.98 1irg n PRO 89 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1irg n PRO 89 Cb 0.00 -1.08 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1irg n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1irg n ASP 90 N -0.31 1.56 -4.78 3.54 9.92 -1.26 -4.95 116.55 120.27 1irg n ASP 90 Ca 0.00 -1.28 -0.38 0.00 -0.53 0.00 0.00 54.79 52.60 1irg n ASP 90 Cb 0.04 0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.85 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1irg s ILE 91 N -1.58 5.10 -0.33 0.53 -4.36 -1.00 -1.17 121.20 118.38 1irg s ILE 91 Ca 0.12 0.87 0.01 0.00 -0.26 0.00 0.00 60.65 61.40 1irg s ILE 91 Cb 0.11 -3.75 0.09 0.00 1.25 0.00 0.00 42.46 40.15 1irg s ILE 91 CO 0.31 0.46 0.04 -1.61 0.24 0.00 0.00 174.94 174.39 1irg s GLU 92 N -0.28 1.90 0.07 0.37 8.01 0.61 -4.79 118.70 124.58 1irg s GLU 92 Ca 0.24 -1.66 -0.31 0.00 0.01 0.00 0.00 54.97 53.26 1irg s GLU 92 Cb -0.16 -3.22 -0.06 0.00 -4.31 0.00 0.00 34.13 26.39 1irg s GLU 92 CO 0.12 -0.84 1.18 -1.83 0.01 0.00 0.00 175.26 173.90 1irg s GLU 93 N 1.05 4.45 -0.26 1.61 -1.05 -1.26 -0.71 118.70 122.53 1irg s GLU 93 Ca 0.04 1.75 -0.01 0.00 -0.15 0.00 0.00 54.97 56.59 1irg s GLU 93 Cb -0.20 -3.35 0.14 0.00 -0.44 0.00 0.00 34.13 30.29 1irg s GLU 93 CO -0.05 -0.22 0.40 0.08 0.95 0.00 0.00 175.26 176.41 1irg s VAL 94 N 0.96 -0.64 -0.43 1.83 1.01 0.66 -4.94 120.40 118.86 1irg s VAL 94 Ca 0.58 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1irg s VAL 94 Cb -0.29 -0.87 0.54 0.00 0.00 0.00 0.00 36.38 35.75 1irg s VAL 94 CO 0.30 -0.16 1.44 2.29 0.00 0.00 0.00 175.10 178.97 1irg n LYS 95 N 5.37 3.16 -4.04 2.72 2.85 -1.26 -0.87 118.16 126.08 1irg n LYS 95 Ca -0.02 -2.14 -0.40 0.00 -1.05 0.00 0.00 58.31 54.70 1irg n LYS 95 Cb 0.50 -1.97 0.01 0.00 -0.65 0.00 0.00 35.03 32.93 1irg n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1irg n ASP 96 N 0.12 -3.32 0.19 -5.58 9.92 -1.26 -4.67 116.55 111.95 1irg n ASP 96 Ca 0.26 -1.10 0.06 0.00 -0.53 0.00 0.00 54.79 53.48 1irg n ASP 96 Cb 1.03 -1.31 0.34 0.00 -0.64 0.00 0.00 41.12 40.54 1irg n ASP 96 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1irg h ARG 97 N -1.70 0.00 -0.80 -1.24 9.65 -1.96 -3.04 114.38 115.29 1irg h ARG 97 Ca -0.60 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.71 1irg h ARG 97 Cb 1.17 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.34 1irg h ARG 97 CO 0.43 0.36 -0.59 0.43 2.80 0.00 0.00 179.97 183.41 1irg n SER 98 N -3.53 5.30 0.00 -3.80 7.64 -1.26 -4.68 113.62 113.30 1irg n SER 98 Ca -0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1irg n SER 98 Cb 0.50 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.73 0.00 0.09 0.44 -0.00 -1.19 -5.00 119.36 112.97 1irg n ILE 99 Ca 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 63.17 1irg n ILE 99 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.54 1irg n ILE 99 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1irg h LYS 100 N 0.00 -0.26 -6.64 0.38 1.79 -1.85 -3.45 116.57 106.54 1irg h LYS 100 Ca 0.00 0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.96 1irg h LYS 100 Cb 0.00 0.06 -0.15 0.00 -1.58 0.00 0.00 32.23 30.56 1irg h LYS 100 CO 0.00 -0.17 -0.84 1.63 -1.08 0.00 0.00 179.45 178.99 1irg n LYS 101 N -2.91 -3.46 0.00 3.15 5.02 -1.23 -4.91 118.16 113.83 1irg n LYS 101 Ca -0.03 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1irg n LYS 101 Cb 0.11 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1irg n GLY 102 N -1.59 1.22 0.04 0.72 0.00 -1.26 -5.04 105.19 99.28 1irg n GLY 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1irg n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1irg n ASN 103 N -0.00 0.00 -0.00 1.61 2.85 -1.26 -4.99 115.26 113.46 1irg n ASN 103 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1irg n ASN 103 Cb 0.00 0.01 -0.00 0.00 1.24 0.00 0.00 39.78 41.03 1irg n ASN 103 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1irg h ASN 104 N 0.00 -0.00 -3.77 1.20 -0.00 -2.01 -3.50 115.58 107.49 1irg h ASN 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1irg h ASN 104 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.27 1irg h ASN 104 CO 0.00 0.02 -0.61 0.00 -0.00 0.00 0.00 177.43 176.84 1irg n ALA 105 N -2.03 -3.19 -2.50 1.57 0.00 -1.26 -5.06 120.51 108.03 1irg n ALA 105 Ca -0.00 0.87 -0.23 0.00 0.00 0.00 0.00 53.44 54.08 1irg n ALA 105 Cb 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.26 2.70 -0.88 0.00 0.40 -1.26 -4.97 117.98 113.71 1irg s PHE 106 Ca -0.10 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.60 1irg s PHE 106 Cb 0.01 -1.70 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1irg s PHE 106 CO 0.27 0.30 1.24 0.50 0.70 0.00 0.00 175.22 178.23 1irg s ARG 107 N -3.87 3.43 -0.44 0.44 3.52 0.61 -4.11 118.95 118.54 1irg s ARG 107 Ca 0.39 -1.09 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 1irg s ARG 107 Cb -0.02 -4.82 0.02 0.00 -1.56 0.00 0.00 34.95 28.58 1irg s ARG 107 CO 0.23 -2.01 1.22 0.08 -0.81 0.00 0.00 175.30 174.01 1irg s VAL 108 N 4.31 4.14 -0.07 7.11 1.01 -0.05 -1.72 120.40 135.13 1irg s VAL 108 Ca 0.36 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1irg s VAL 108 Cb -0.06 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1irg s VAL 108 CO -0.02 -0.89 0.31 -0.31 0.00 0.00 0.00 175.10 174.19 1irg s TYR 109 N 4.68 3.63 -0.30 5.22 1.51 0.26 -0.24 117.35 132.10 1irg s TYR 109 Ca 0.52 0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 57.31 1irg s TYR 109 Cb -0.10 -2.21 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1irg s TYR 109 CO 0.31 0.56 0.03 0.50 -1.11 0.00 0.00 175.55 175.84 1irg s ARG 110 N -0.65 2.61 -0.17 -0.62 3.52 0.11 -1.02 118.95 122.74 1irg s ARG 110 Ca 0.20 -1.16 -0.17 0.00 -0.13 0.00 0.00 55.73 54.47 1irg s ARG 110 Cb -0.14 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1irg s ARG 110 CO 0.08 -0.58 0.44 -1.64 -0.81 0.00 0.00 175.30 172.79 1irg s MET 111 N 1.33 4.25 0.10 5.12 -1.94 -0.09 -0.29 119.30 127.78 1irg s MET 111 Ca -0.03 0.32 -0.17 0.00 -1.71 0.00 0.00 55.69 54.11 1irg s MET 111 Cb -0.19 -3.49 -0.06 0.00 2.01 0.00 0.00 34.83 33.10 1irg s MET 111 CO -0.00 0.05 1.51 -0.07 -0.01 0.00 0.00 175.02 176.50 1irg h LEU 112 N 7.24 0.56 0.00 -0.03 3.38 -1.39 -3.41 115.31 121.65 1irg h LEU 112 Ca -0.38 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1irg h LEU 112 Cb 1.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1irg h LEU 112 CO 0.74 0.77 0.00 -0.81 0.09 0.00 0.00 178.44 179.23