#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irg s VAL 3 N 0.00 4.85 0.22 0.52 1.01 -1.26 -5.05 120.40 120.69 1irg s VAL 3 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1irg s VAL 3 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1irg s VAL 3 CO 0.00 -0.27 0.11 -1.84 0.00 0.00 0.00 175.10 173.10 1irg n GLU 4 N 5.06 0.56 0.00 2.72 0.28 -1.26 -5.15 120.64 122.86 1irg n GLU 4 Ca -0.11 -1.98 0.00 0.00 -0.16 0.00 0.00 57.16 54.91 1irg n GLU 4 Cb 0.46 1.26 0.00 0.00 1.43 0.00 0.00 31.44 34.59 1irg n GLU 4 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1irg n ARG 5 N -0.48 0.00 -0.38 3.44 0.00 -1.26 -5.16 116.66 112.82 1irg n ARG 5 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1irg n ARG 5 Cb 0.35 0.00 0.29 0.00 -0.00 0.00 0.00 32.46 33.10 1irg n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1irg s MET 6 N 0.00 -3.08 0.00 2.89 0.23 -1.26 -5.03 119.30 113.06 1irg s MET 6 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 55.69 54.73 1irg s MET 6 Cb 0.00 -1.37 0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1irg s MET 6 CO 0.00 -4.96 0.00 -2.13 -2.03 0.00 0.00 175.02 165.90 1irg n ARG 7 N -5.68 -3.17 0.08 3.16 3.00 -1.26 -4.99 116.66 107.80 1irg n ARG 7 Ca 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.96 1irg n ARG 7 Cb 0.60 0.00 0.23 0.00 0.00 0.00 0.00 32.46 33.29 1irg n ARG 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1irg h MET 8 N 0.00 0.29 0.50 -0.14 4.05 -1.98 -1.19 114.93 116.47 1irg h MET 8 Ca 0.00 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1irg h MET 8 Cb 0.00 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1irg h MET 8 CO 0.00 0.62 -0.40 0.00 0.23 0.00 0.00 176.91 177.36 1irg h ARG 9 N 0.25 -0.86 -0.04 0.39 3.08 -1.99 -1.32 114.38 113.89 1irg h ARG 9 Ca 0.03 0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1irg h ARG 9 Cb 0.77 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1irg h ARG 9 CO 0.06 -0.57 -0.53 -1.00 -1.07 0.00 0.00 179.97 176.86 1irg h PRO 10 N -0.89 0.12 -0.79 0.04 0.13 -1.94 -1.41 132.00 127.26 1irg h PRO 10 Ca -0.05 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1irg h PRO 10 Cb 0.76 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 1irg h PRO 10 CO -0.00 0.62 0.43 2.35 -0.23 0.00 0.00 178.00 181.16 1irg h TRP 11 N 0.09 1.10 0.04 1.56 7.01 -0.96 0.46 115.95 125.25 1irg h TRP 11 Ca -0.00 -0.03 -0.25 0.00 2.11 0.00 0.00 58.89 60.72 1irg h TRP 11 Cb 0.96 -0.35 0.01 0.00 -2.10 0.00 0.00 29.16 27.68 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 1.10 0.62 -2.06 0.65 5.85 -1.11 -1.86 115.31 118.50 1irg h LEU 12 Ca 0.28 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1irg h LEU 12 Cb 0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1irg h LEU 12 CO -0.04 1.35 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.27 1irg h GLU 13 N 0.23 0.00 0.03 1.25 4.81 -0.80 -0.19 114.58 119.91 1irg h GLU 13 Ca -0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1irg h GLU 13 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1irg h GLU 13 CO 0.19 0.05 -0.01 0.93 -0.73 0.00 0.00 179.01 179.43 1irg h GLU 14 N 0.00 -0.03 -0.50 1.92 4.39 -0.72 -1.43 114.58 118.20 1irg h GLU 14 Ca -0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 1irg h GLU 14 Cb 0.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1irg h GLU 14 CO 0.01 0.22 0.39 1.96 -1.16 0.00 0.00 179.01 180.42 1irg h GLN 15 N -1.00 0.00 0.01 2.33 1.08 -1.17 -1.12 115.11 115.23 1irg h GLN 15 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1irg h GLN 15 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1irg h GLN 15 CO 0.01 0.00 -0.00 0.82 -0.95 0.00 0.00 178.83 178.70 1irg h ILE 16 N 0.00 0.00 -1.29 2.54 2.04 -1.10 -0.01 117.51 119.68 1irg h ILE 16 Ca 0.24 -0.71 0.38 0.00 1.00 0.00 0.00 64.86 65.76 1irg h ILE 16 Cb 1.02 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1irg h ILE 16 CO -0.00 0.00 0.89 -1.13 0.00 0.00 0.00 178.15 177.90 1irg h ASN 17 N -0.72 0.18 0.35 1.72 -0.73 -1.01 0.49 115.58 115.85 1irg h ASN 17 Ca -0.00 0.06 -0.32 0.00 1.87 0.00 0.00 56.30 57.90 1irg h ASN 17 Cb 0.01 0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.64 1irg h ASN 17 CO 0.00 -0.02 -1.59 0.77 -0.37 0.00 0.00 177.43 176.22 1irg h SER 18 N 0.12 0.53 -3.37 1.15 4.64 -1.29 -3.50 113.55 111.84 1irg h SER 18 Ca 0.69 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1irg h SER 18 Cb 2.36 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.28 1irg h SER 18 CO -0.18 1.60 -0.11 -3.20 -0.87 0.00 0.00 176.83 174.06 1irg n ASN 19 N -3.54 -2.99 -0.00 4.97 2.85 0.17 -5.00 115.26 111.73 1irg n ASN 19 Ca -0.19 0.14 0.07 0.00 -0.11 0.00 0.00 54.58 54.49 1irg n ASN 19 Cb 1.06 -1.72 -0.10 0.00 1.24 0.00 0.00 39.78 40.26 1irg n ASN 19 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1irg n THR 20 N -0.26 0.00 -5.26 -0.44 -1.04 -1.14 -4.94 114.28 101.19 1irg n THR 20 Ca 0.01 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.05 61.47 1irg n THR 20 Cb 0.05 0.61 -0.16 0.00 -1.82 0.00 0.00 70.33 69.01 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 -2.70 2.13 -1.24 12.58 -1.09 -1.26 -5.04 121.20 124.58 1irg s ILE 21 Ca 0.00 -1.06 -0.20 0.00 -2.23 0.00 0.00 60.65 57.16 1irg s ILE 21 Cb 0.10 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1irg s ILE 21 CO 0.62 0.58 1.83 -2.16 -1.23 0.00 0.00 174.94 174.57 1irg s PRO 22 N -0.40 3.27 0.00 2.79 0.04 -1.26 -2.49 135.00 136.95 1irg s PRO 22 Ca 0.04 -1.59 0.00 0.00 0.04 0.00 0.00 61.00 59.49 1irg s PRO 22 Cb -0.12 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1irg s PRO 22 CO 0.01 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 174.38 1irg n GLY 23 N 5.62 0.45 3.52 0.56 0.00 -1.26 -4.91 105.19 109.18 1irg n GLY 23 Ca 0.47 0.00 -0.35 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 3.44 0.00 0.99 2.96 -1.04 -3.02 118.68 122.02 1irg s LEU 24 Ca 0.00 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1irg s LEU 24 Cb 0.00 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1irg s LEU 24 CO 0.00 0.12 0.00 2.29 -1.32 0.00 0.00 176.35 177.44 1irg n LYS 25 N 3.86 -0.35 -2.70 1.98 -0.00 -0.55 -4.63 118.16 115.77 1irg n LYS 25 Ca -0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.71 1irg n LYS 25 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 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 -2.00 2.88 0.39 5.58 0.52 -1.26 -1.00 118.94 124.04 1irg s TRP 26 Ca 0.00 0.60 0.11 0.00 0.02 0.00 0.00 56.10 56.83 1irg s TRP 26 Cb 0.00 -4.20 0.79 0.00 -1.15 0.00 0.00 33.47 28.91 1irg s TRP 26 CO 0.00 -1.17 1.90 -0.07 0.02 0.00 0.00 176.95 177.62 1irg h LEU 27 N 10.89 0.14 -5.45 2.99 3.38 -0.60 -3.33 115.31 123.33 1irg h LEU 27 Ca -0.23 -0.03 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 1irg h LEU 27 Cb 1.07 -0.04 -0.24 0.00 0.09 0.00 0.00 40.66 41.54 1irg h LEU 27 CO 1.08 0.36 -0.72 -3.20 0.09 0.00 0.00 178.44 176.05 1irg n ASN 28 N -4.23 -1.88 -0.12 -0.43 2.85 -1.03 -4.98 115.26 105.44 1irg n ASN 28 Ca -0.01 -2.95 0.20 0.00 -0.11 0.00 0.00 54.58 51.71 1irg n ASN 28 Cb 0.31 0.85 0.61 0.00 1.24 0.00 0.00 39.78 42.79 1irg n ASN 28 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1irg h LYS 29 N 4.41 0.19 -0.12 1.20 3.11 -1.72 0.31 116.57 123.95 1irg h LYS 29 Ca 0.00 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1irg h LYS 29 Cb 0.99 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.14 1irg h LYS 29 CO 0.31 0.12 -0.08 1.49 -2.81 0.00 0.00 179.45 178.48 1irg h GLU 30 N 0.19 -0.08 -0.00 1.90 4.57 -1.93 -0.26 114.58 118.96 1irg h GLU 30 Ca 0.36 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1irg h GLU 30 Cb 1.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1irg h GLU 30 CO -0.07 -0.05 -0.09 1.63 -1.18 0.00 0.00 179.01 179.25 1irg n LYS 31 N -5.22 0.66 -2.13 1.92 5.02 0.01 -4.93 118.16 113.50 1irg n LYS 31 Ca -0.04 -0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 56.05 1irg n LYS 31 Cb 0.14 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.00 -0.49 -4.93 1.97 4.76 0.88 -4.60 118.16 114.74 1irg n LYS 32 Ca 0.15 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.33 1irg n LYS 32 Cb 0.26 -2.74 -0.17 0.00 -1.84 0.00 0.00 35.03 30.54 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 -3.03 2.02 -0.02 -0.18 1.09 -0.60 -0.28 121.20 120.21 1irg s ILE 33 Ca 0.00 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.59 1irg s ILE 33 Cb -0.00 -1.77 0.00 0.00 -1.06 0.00 0.00 42.46 39.64 1irg s ILE 33 CO 0.05 0.55 -0.05 0.72 -0.10 0.00 0.00 174.94 176.11 1irg s PHE 34 N 0.58 0.56 -0.03 3.97 -0.71 -0.39 0.19 117.98 122.15 1irg s PHE 34 Ca -0.13 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.66 1irg s PHE 34 Cb -0.17 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1irg s PHE 34 CO 0.04 -0.06 -0.05 1.14 -1.34 0.00 0.00 175.22 174.95 1irg s GLN 35 N 0.22 2.72 0.08 1.99 -2.07 -0.18 0.27 119.66 122.69 1irg s GLN 35 Ca -0.02 -0.60 0.08 0.00 -1.82 0.00 0.00 55.36 52.99 1irg s GLN 35 Cb -0.06 -2.60 -0.04 0.00 -1.09 0.00 0.00 33.01 29.22 1irg s GLN 35 CO -0.00 0.64 -0.16 0.42 -1.32 0.00 0.00 175.29 174.87 1irg s ILE 36 N -0.93 2.94 0.02 3.63 1.01 -0.73 -1.48 121.20 125.67 1irg s ILE 36 Ca 0.15 -1.32 -0.14 0.00 0.00 0.00 0.00 60.65 59.34 1irg s ILE 36 Cb -0.11 -2.31 -0.34 0.00 0.01 0.00 0.00 42.46 39.70 1irg s ILE 36 CO 0.05 0.20 0.96 1.55 0.00 0.00 0.00 174.94 177.70 1irg h PRO 37 N 4.03 0.50 0.00 2.79 0.13 -1.85 0.27 132.00 137.87 1irg h PRO 37 Ca -0.49 -0.85 0.00 0.00 -0.87 0.00 0.00 66.00 63.79 1irg h PRO 37 Cb 1.16 0.32 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1irg h PRO 37 CO 0.48 1.41 0.00 0.91 -0.23 0.00 0.00 178.00 180.56 1irg n TRP 38 N -3.68 -0.29 0.00 1.56 7.02 -1.26 -4.63 117.44 116.15 1irg n TRP 38 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1irg n TRP 38 Cb 1.10 0.10 0.00 0.00 -2.42 0.00 0.00 31.31 30.09 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 0.00 0.00 0.00 -0.99 2.81 -1.26 -4.47 117.12 113.20 1irg n MET 39 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1irg n MET 39 Cb 0.00 -0.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 1irg n MET 39 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1irg n HIS 40 N -2.10 0.00 0.00 2.03 -0.00 -1.26 -4.91 115.22 108.98 1irg n HIS 40 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1irg n HIS 40 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 0.00 0.00 -2.86 1.57 0.00 -1.26 -5.11 120.51 112.85 1irg n ALA 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1irg n ALA 41 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 3.27 0.59 0.00 0.00 -1.26 -4.88 121.76 119.48 1irg s ALA 42 Ca 0.00 -1.80 0.32 0.00 0.00 0.00 0.00 51.96 50.48 1irg s ALA 42 Cb 0.00 -3.61 1.30 0.00 0.00 0.00 0.00 23.12 20.81 1irg s ALA 42 CO 0.00 -2.39 1.60 -0.09 0.00 0.00 0.00 175.76 174.89 1irg h ARG 43 N 9.27 0.00 0.00 0.00 1.12 -2.00 -3.38 114.38 119.38 1irg h ARG 43 Ca -0.28 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 1irg h ARG 43 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1irg h ARG 43 CO 1.08 0.00 0.00 1.58 -3.11 0.00 0.00 179.97 179.52 1irg n HIS 44 N -3.62 0.00 -3.28 2.20 -0.00 -1.26 -5.10 115.22 104.16 1irg n HIS 44 Ca 0.22 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.32 1irg n HIS 44 Cb 1.28 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 31.10 1irg n HIS 44 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1irg s GLY 45 N -1.85 -0.68 0.00 1.57 0.00 -1.26 -4.94 107.32 100.16 1irg s GLY 45 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.83 1irg s GLY 45 CO 0.00 3.18 0.82 -2.67 0.00 0.00 0.00 173.10 174.43 1irg n TRP 46 N 4.97 0.00 0.00 1.90 2.14 -1.26 -4.90 117.44 120.29 1irg n TRP 46 Ca 0.05 -0.25 0.00 0.00 2.07 0.00 0.00 57.50 59.37 1irg n TRP 46 Cb 0.50 0.27 0.00 0.00 -0.81 0.00 0.00 31.31 31.27 1irg n TRP 46 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1irg n ASP 47 N 0.06 0.00 -2.79 -0.67 2.03 -1.26 -4.98 116.55 108.93 1irg n ASP 47 Ca -0.10 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.00 1irg n ASP 47 Cb 0.67 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.06 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1irg n VAL 48 N 0.00 1.66 -0.08 5.18 0.31 -1.26 -4.45 118.33 119.69 1irg n VAL 48 Ca 0.00 -4.56 -0.08 0.00 -0.01 0.00 0.00 64.34 59.69 1irg n VAL 48 Cb 0.00 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.16 0.49 -0.36 5.55 2.13 -1.26 -3.33 120.64 123.70 1irg n GLU 49 Ca 0.27 0.44 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 1irg n GLU 49 Cb 0.63 -1.62 0.10 0.00 0.27 0.00 0.00 31.44 30.82 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 -1.00 1.25 -1.02 5.31 6.56 -1.94 -0.88 116.57 124.85 1irg h LYS 50 Ca -0.06 -0.08 -0.35 0.00 -1.06 0.00 0.00 60.65 59.10 1irg h LYS 50 Cb 0.76 -0.28 -0.21 0.00 -0.57 0.00 0.00 32.23 31.93 1irg h LYS 50 CO -0.04 0.83 0.45 -0.25 -2.06 0.00 0.00 179.45 178.38 1irg n ASP 51 N -4.42 3.75 0.09 0.86 9.92 -1.26 -4.33 116.55 121.16 1irg n ASP 51 Ca 0.11 -3.09 -0.01 0.00 -0.53 0.00 0.00 54.79 51.27 1irg n ASP 51 Cb 0.01 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 39.71 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 1.36 0.59 -2.00 2.24 0.00 -1.15 -3.45 119.26 116.85 1irg h ALA 52 Ca 0.42 -0.69 -0.42 0.00 0.00 0.00 0.00 54.91 54.23 1irg h ALA 52 Cb 2.15 -0.02 0.19 0.00 0.00 0.00 0.00 17.79 20.11 1irg h ALA 52 CO 0.76 0.89 0.20 -1.25 0.00 0.00 0.00 179.25 179.84 1irg s PRO 53 N -2.87 -0.88 0.00 0.00 0.04 -1.26 -4.02 135.00 126.01 1irg s PRO 53 Ca 0.02 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1irg s PRO 53 Cb 0.08 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1irg s PRO 53 CO 0.78 -3.47 0.00 1.28 0.04 0.00 0.00 177.00 175.63 1irg n LEU 54 N -4.56 0.00 -0.40 -3.56 4.32 -1.26 -4.37 117.00 107.16 1irg n LEU 54 Ca 0.14 0.00 0.36 0.00 -0.02 0.00 0.00 56.01 56.49 1irg n LEU 54 Cb 0.60 0.00 0.55 0.00 -1.62 0.00 0.00 43.42 42.95 1irg n LEU 54 CO 0.45 0.00 1.22 0.49 -1.22 0.00 0.00 177.39 178.33 1irg n PHE 55 N 0.00 0.00 -0.02 -1.77 3.72 -1.26 0.77 117.46 118.90 1irg n PHE 55 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1irg n PHE 55 Cb 0.00 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.15 1irg n PHE 55 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1irg h ARG 56 N 0.00 -0.07 -1.49 -1.08 1.12 -1.76 -3.20 114.38 107.90 1irg h ARG 56 Ca 0.63 0.00 0.45 0.00 -1.11 0.00 0.00 59.98 59.96 1irg h ARG 56 Cb 2.98 0.02 -0.10 0.00 -0.01 0.00 0.00 29.97 32.86 1irg h ARG 56 CO -0.01 0.35 1.02 -0.91 -3.11 0.00 0.00 179.97 177.32 1irg h ASN 57 N -0.98 0.13 -3.05 -3.80 2.35 -0.01 -3.40 115.58 106.82 1irg h ASN 57 Ca -0.01 0.06 -0.55 0.00 -0.55 0.00 0.00 56.30 55.25 1irg h ASN 57 Cb 0.46 0.06 0.20 0.00 0.05 0.00 0.00 38.32 39.08 1irg h ASN 57 CO 0.01 -0.07 -0.68 0.79 -1.65 0.00 0.00 177.43 175.83 1irg n TRP 58 N -4.35 -1.68 -0.73 1.19 5.03 -0.86 -1.20 117.44 114.83 1irg n TRP 58 Ca 0.37 0.27 0.00 0.00 3.03 0.00 0.00 57.50 61.17 1irg n TRP 58 Cb 1.55 -1.80 0.00 0.00 -1.03 0.00 0.00 31.31 30.03 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 -2.72 0.00 0.02 6.99 0.00 -1.26 -4.64 120.51 118.90 1irg n ALA 59 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1irg n ALA 59 Cb 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.00 0.02 -0.05 0.00 2.08 -0.34 -2.84 119.36 116.23 1irg n ILE 60 Ca 0.00 0.01 -0.08 0.00 0.56 0.00 0.00 62.75 63.24 1irg n ILE 60 Cb 0.00 -0.20 -0.02 0.00 -0.75 0.00 0.00 39.64 38.67 1irg n ILE 60 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1irg h HIS 61 N 0.00 -0.04 0.00 1.39 -0.00 -1.52 -0.29 115.15 114.69 1irg h HIS 61 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1irg h HIS 61 Cb 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1irg h HIS 61 CO 0.00 -0.05 -0.14 1.79 -0.00 0.00 0.00 177.93 179.53 1irg h THR 62 N 0.05 1.00 -2.57 6.26 1.35 -1.91 -3.47 112.91 113.62 1irg h THR 62 Ca 0.11 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1irg h THR 62 Cb 0.14 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1irg h THR 62 CO -0.19 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1irg n GLY 63 N -1.06 0.09 0.70 5.82 0.00 -0.12 -5.02 105.19 105.60 1irg n GLY 63 Ca -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.95 0.00 0.00 1.61 4.01 -1.26 -4.98 118.16 116.59 1irg n LYS 64 Ca 0.00 -0.85 0.00 0.00 -0.51 0.00 0.00 58.31 56.95 1irg n LYS 64 Cb 0.43 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.77 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1irg n HIS 65 N 0.07 0.00 -4.25 2.13 -0.00 -1.13 -4.87 115.22 107.17 1irg n HIS 65 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.50 1irg n HIS 65 Cb 0.71 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.54 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 0.89 0.00 1.57 -0.21 -1.26 -4.42 119.66 114.23 1irg s GLN 66 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.89 1irg s GLN 66 Cb 0.00 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1irg s GLN 66 CO 0.00 -0.01 1.09 -1.25 -2.12 0.00 0.00 175.29 173.00 1irg s PRO 67 N 0.61 4.47 0.00 2.91 0.04 -1.26 -0.36 135.00 141.42 1irg s PRO 67 Ca -0.09 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1irg s PRO 67 Cb -0.12 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1irg s PRO 67 CO 0.01 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1irg n GLY 68 N 3.09 2.30 0.00 0.56 0.00 -1.26 -4.62 105.19 105.27 1irg n GLY 68 Ca 0.08 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 -3.98 -0.61 -0.00 -1.22 -4.98 119.36 108.57 1irg n ILE 69 Ca 0.00 -0.18 -0.09 0.00 -0.00 0.00 0.00 62.75 62.48 1irg n ILE 69 Cb 0.00 0.64 -0.08 0.00 -0.00 0.00 0.00 39.64 40.20 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 -3.52 0.15 0.34 4.38 2.15 0.51 -4.93 116.67 115.76 1irg s ASP 70 Ca 0.02 -0.88 -0.24 0.00 0.43 0.00 0.00 52.55 51.88 1irg s ASP 70 Cb 0.15 0.36 -0.10 0.00 -0.30 0.00 0.00 42.92 43.03 1irg s ASP 70 CO 0.87 -0.79 0.92 -0.54 -0.17 0.00 0.00 175.17 175.46 1irg s LYS 71 N -3.95 4.45 0.33 4.34 1.02 -1.26 -4.54 119.74 120.12 1irg s LYS 71 Ca 0.14 1.21 -0.27 0.00 0.02 0.00 0.00 55.97 57.07 1irg s LYS 71 Cb 0.05 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1irg s LYS 71 CO -0.04 0.21 1.00 -1.25 -0.92 0.00 0.00 175.35 174.36 1irg s PRO 72 N -2.35 4.51 -0.38 -1.68 0.04 -1.26 -4.81 135.00 129.07 1irg s PRO 72 Ca 0.52 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1irg s PRO 72 Cb -0.16 -2.86 0.13 0.00 0.04 0.00 0.00 34.50 31.66 1irg s PRO 72 CO 0.21 0.18 0.21 -0.51 0.04 0.00 0.00 177.00 177.13 1irg s ASP 73 N -1.42 3.37 0.00 6.66 1.11 -1.26 -4.94 116.67 120.20 1irg s ASP 73 Ca 0.50 -2.29 0.27 0.00 0.18 0.00 0.00 52.55 51.21 1irg s ASP 73 Cb -0.23 -0.71 1.53 0.00 1.07 0.00 0.00 42.92 44.58 1irg s ASP 73 CO 0.29 -0.30 1.96 -0.81 1.18 0.00 0.00 175.17 177.48 1irg n PRO 74 N 3.94 0.67 -0.05 8.23 -0.04 -1.26 -3.10 135.00 143.39 1irg n PRO 74 Ca 0.09 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1irg n PRO 74 Cb 0.36 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1irg n PRO 74 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1irg h LYS 75 N 0.00 0.00 0.00 0.54 3.11 -2.02 -3.34 116.57 114.86 1irg h LYS 75 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1irg h LYS 75 Cb 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1irg h LYS 75 CO 0.00 0.00 -0.15 1.15 -2.81 0.00 0.00 179.45 177.64 1irg h THR 76 N -0.93 0.57 -0.91 1.00 2.02 -2.01 -2.69 112.91 109.97 1irg h THR 76 Ca 0.00 -0.66 0.08 0.00 0.77 0.00 0.00 66.41 66.60 1irg h THR 76 Cb 0.16 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1irg h THR 76 CO 0.00 0.14 0.59 -0.50 0.37 0.00 0.00 175.52 176.12 1irg h TRP 77 N 0.00 1.02 -0.11 3.16 6.55 -1.68 -0.70 115.95 124.19 1irg h TRP 77 Ca -0.00 0.03 -0.09 0.00 0.95 0.00 0.00 58.89 59.78 1irg h TRP 77 Cb 0.42 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 1irg h TRP 77 CO 0.00 0.50 -0.33 -0.22 -1.05 0.00 0.00 178.44 177.34 1irg h LYS 78 N 0.97 0.21 0.06 0.49 3.11 -1.60 -3.20 116.57 116.61 1irg h LYS 78 Ca 0.41 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1irg h LYS 78 Cb 0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 1irg h LYS 78 CO -0.17 0.53 -0.03 0.00 -2.81 0.00 0.00 179.45 176.97 1irg h ALA 79 N 1.48 -0.08 -0.97 5.00 0.00 -1.26 -3.16 119.26 120.27 1irg h ALA 79 Ca 0.02 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.95 1irg h ALA 79 Cb 0.68 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.33 1irg h ALA 79 CO 0.05 -0.20 0.28 -0.91 0.00 0.00 0.00 179.25 178.46 1irg h ASN 80 N -0.75 -0.05 -0.37 0.00 -0.26 -1.32 0.42 115.58 113.25 1irg h ASN 80 Ca -0.01 0.25 -0.07 0.00 -0.56 0.00 0.00 56.30 55.91 1irg h ASN 80 Cb 0.62 0.34 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 1irg h ASN 80 CO 0.01 -0.32 -0.04 0.15 -1.06 0.00 0.00 177.43 176.17 1irg h PHE 81 N 0.08 0.75 -0.13 1.19 3.04 -1.59 -2.36 116.94 117.92 1irg h PHE 81 Ca 0.68 -0.15 0.04 0.00 3.98 0.00 0.00 57.97 62.52 1irg h PHE 81 Cb 1.55 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1irg h PHE 81 CO -0.26 0.80 0.15 -0.09 -2.02 0.00 0.00 178.31 176.89 1irg h ARG 82 N 0.49 0.00 -0.24 1.11 9.65 -0.16 0.94 114.38 126.17 1irg h ARG 82 Ca 0.10 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.86 1irg h ARG 82 Cb 0.53 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1irg h ARG 82 CO 0.03 0.00 -0.34 0.00 2.80 0.00 0.00 179.97 182.46 1irg h ALA 84 N 1.20 1.80 0.06 0.00 0.00 -0.77 0.53 119.26 122.08 1irg h ALA 84 Ca 0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 1irg h ALA 84 Cb 0.80 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1irg h ALA 84 CO 0.06 -0.58 -1.72 0.52 0.00 0.00 0.00 179.25 177.53 1irg h MET 85 N 0.00 0.12 -0.29 0.00 2.07 -1.50 -3.28 114.93 112.05 1irg h MET 85 Ca 0.11 -0.20 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1irg h MET 85 Cb 1.03 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.84 1irg h MET 85 CO -0.00 0.83 0.00 0.27 1.07 0.00 0.00 176.91 179.08 1irg n ASN 86 N -3.25 0.97 -1.15 1.22 6.94 0.17 -4.82 115.26 115.33 1irg n ASN 86 Ca -0.20 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1irg n ASN 86 Cb 1.04 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 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 -0.05 1.01 -1.57 0.53 2.88 -0.37 -4.94 113.62 111.11 1irg n SER 87 Ca 0.05 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1irg n SER 87 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.95 -0.91 2.46 4.32 -1.26 -4.62 117.00 115.04 1irg n LEU 88 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 1irg n LEU 88 Cb 0.00 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1irg n LEU 88 CO 0.00 -1.39 0.28 -0.81 -1.22 0.00 0.00 177.39 174.25 1irg n PRO 89 N 1.84 0.62 0.00 3.23 -0.04 -1.26 -2.50 135.00 136.89 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 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.59 0.59 -4.76 3.54 8.00 -1.26 -5.04 116.55 118.21 1irg n ASP 90 Ca 0.00 -1.20 -0.40 0.00 0.71 0.00 0.00 54.79 53.91 1irg n ASP 90 Cb 0.28 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1irg s ILE 91 N -0.20 4.56 -0.46 0.53 -4.36 -1.04 -1.13 121.20 119.10 1irg s ILE 91 Ca 0.00 1.68 0.03 0.00 -0.26 0.00 0.00 60.65 62.10 1irg s ILE 91 Cb 0.00 -4.13 0.12 0.00 1.25 0.00 0.00 42.46 39.70 1irg s ILE 91 CO 0.00 0.44 0.19 -0.70 0.24 0.00 0.00 174.94 175.11 1irg s GLU 92 N -0.55 1.83 -0.06 0.37 2.56 0.94 -4.77 118.70 119.02 1irg s GLU 92 Ca 0.38 -2.31 -0.30 0.00 0.00 0.00 0.00 54.97 52.73 1irg s GLU 92 Cb -0.22 -3.31 -0.05 0.00 2.00 0.00 0.00 34.13 32.55 1irg s GLU 92 CO 0.25 -1.05 1.57 -1.83 -0.56 0.00 0.00 175.26 173.64 1irg s GLU 93 N 0.22 4.20 -0.49 4.30 -1.05 -1.25 -1.19 118.70 123.43 1irg s GLU 93 Ca 0.14 2.10 0.03 0.00 -0.15 0.00 0.00 54.97 57.10 1irg s GLU 93 Cb -0.23 -3.89 0.15 0.00 -0.44 0.00 0.00 34.13 29.72 1irg s GLU 93 CO -0.03 -0.79 0.32 0.08 0.95 0.00 0.00 175.26 175.78 1irg s VAL 94 N 3.72 1.42 -0.39 1.83 1.01 0.93 -4.84 120.40 124.09 1irg s VAL 94 Ca 0.70 -2.93 0.06 0.00 0.00 0.00 0.00 61.98 59.80 1irg s VAL 94 Cb -0.32 -1.97 0.54 0.00 0.00 0.00 0.00 36.38 34.63 1irg s VAL 94 CO 0.27 -1.01 1.64 2.29 0.00 0.00 0.00 175.10 178.29 1irg n LYS 95 N 3.03 2.23 -0.81 2.72 2.85 -1.26 -1.46 118.16 125.47 1irg n LYS 95 Ca 0.17 -3.26 -0.25 0.00 -1.05 0.00 0.00 58.31 53.92 1irg n LYS 95 Cb 0.38 -2.03 0.01 0.00 -0.65 0.00 0.00 35.03 32.74 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 -1.07 -2.56 0.00 -5.58 9.92 -1.26 -4.77 116.55 111.23 1irg n ASP 96 Ca 0.46 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 1irg n ASP 96 Cb 1.16 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1irg n ASP 96 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1irg n ARG 97 N 1.05 0.00 0.00 -1.24 5.12 -1.26 -4.80 116.66 115.53 1irg n ARG 97 Ca 0.05 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1irg n ARG 97 Cb 0.32 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1irg n SER 98 N -2.00 0.00 0.00 0.55 7.64 -1.26 -4.77 113.62 113.78 1irg n SER 98 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1irg n SER 98 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.85 0.44 -0.00 -1.26 -4.79 119.36 112.89 1irg n ILE 99 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 1irg n ILE 99 Cb 0.00 -0.53 0.06 0.00 -0.00 0.00 0.00 39.64 39.17 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 -1.38 1.94 -1.06 0.38 4.81 -1.26 -4.30 118.16 117.28 1irg n LYS 100 Ca 0.00 -1.89 -0.14 0.00 -0.87 0.00 0.00 58.31 55.41 1irg n LYS 100 Cb 0.00 -1.74 0.17 0.00 0.02 0.00 0.00 35.03 33.48 1irg n LYS 100 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1irg n LYS 101 N -0.02 2.14 -3.25 1.64 4.76 -1.26 -4.91 118.16 117.26 1irg n LYS 101 Ca 0.36 -3.22 -0.19 0.00 -2.87 0.00 0.00 58.31 52.39 1irg n LYS 101 Cb 0.71 -1.99 -0.04 0.00 -1.84 0.00 0.00 35.03 31.87 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1irg n GLY 102 N -1.09 -0.40 2.52 0.72 0.00 -1.26 -2.97 105.19 102.71 1irg n GLY 102 Ca 0.44 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.72 -0.92 0.00 1.61 5.15 -1.26 -5.05 115.26 113.07 1irg n ASN 103 Ca 0.05 1.33 0.00 0.00 -0.60 0.00 0.00 54.58 55.36 1irg n ASN 103 Cb 0.42 -5.09 0.00 0.00 -0.53 0.00 0.00 39.78 34.58 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1irg n ASN 104 N 1.65 0.00 -0.13 1.20 4.13 -1.16 -5.05 115.26 115.90 1irg n ASN 104 Ca -0.39 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.87 1irg n ASN 104 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 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 -1.60 0.00 -2.87 5.41 0.00 -1.26 -5.08 120.51 115.11 1irg n ALA 105 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1irg n ALA 105 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.26 -0.04 -0.85 0.00 0.40 -1.26 -4.82 117.98 109.15 1irg s PHE 106 Ca 0.00 -0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 55.86 1irg s PHE 106 Cb 0.00 0.08 0.03 0.00 0.51 0.00 0.00 43.02 43.64 1irg s PHE 106 CO 0.00 -0.55 1.42 1.03 0.70 0.00 0.00 175.22 177.82 1irg s ARG 107 N -3.15 3.27 -0.53 0.44 0.52 0.93 -4.03 118.95 116.41 1irg s ARG 107 Ca -0.01 -0.53 -0.27 0.00 -0.52 0.00 0.00 55.73 54.41 1irg s ARG 107 Cb 0.01 -4.70 -0.02 0.00 0.52 0.00 0.00 34.95 30.76 1irg s ARG 107 CO -0.07 -2.28 1.88 0.08 0.02 0.00 0.00 175.30 174.94 1irg s VAL 108 N 5.90 3.36 -0.45 3.52 1.01 -0.53 -1.77 120.40 131.44 1irg s VAL 108 Ca 0.43 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 1irg s VAL 108 Cb -0.05 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1irg s VAL 108 CO 0.05 -0.71 0.64 -0.31 0.00 0.00 0.00 175.10 174.77 1irg s TYR 109 N 8.77 3.06 -0.25 5.22 1.51 0.14 -0.05 117.35 135.76 1irg s TYR 109 Ca 0.73 -0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.39 1irg s TYR 109 Cb -0.15 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.33 1irg s TYR 109 CO 0.24 -0.90 0.92 1.03 -1.11 0.00 0.00 175.55 175.74 1irg s ARG 110 N 2.80 4.20 -1.15 -0.62 0.52 -0.34 -1.27 118.95 123.09 1irg s ARG 110 Ca 0.21 1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 56.42 1irg s ARG 110 Cb -0.15 -3.65 0.24 0.00 0.52 0.00 0.00 34.95 31.91 1irg s ARG 110 CO 0.18 -0.59 1.30 -1.33 0.02 0.00 0.00 175.30 174.87 1irg n MET 111 N 6.19 3.58 -1.28 3.54 2.81 0.62 -0.04 117.12 132.53 1irg n MET 111 Ca 0.08 -4.22 -0.37 0.00 -1.81 0.00 0.00 57.70 51.38 1irg n MET 111 Cb 0.47 -2.72 0.06 0.00 -0.71 0.00 0.00 33.22 30.31 1irg n MET 111 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1irg n LEU 112 N 3.56 0.28 0.00 4.03 4.77 -0.29 -4.62 117.00 124.74 1irg n LEU 112 Ca 0.29 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 57.02 1irg n LEU 112 Cb 0.39 -1.17 0.82 0.00 -2.33 0.00 0.00 43.42 41.14 1irg n LEU 112 CO 0.56 -3.32 1.00 -0.81 -1.33 0.00 0.00 177.39 173.49