#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 0.76 -0.73 0.52 1.01 -1.26 -5.09 120.40 115.61 1irg s VAL 3 Ca 0.00 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.05 1irg s VAL 3 Cb 0.00 -1.86 0.24 0.00 0.00 0.00 0.00 36.38 34.76 1irg s VAL 3 CO 0.00 -0.72 0.80 -1.84 0.00 0.00 0.00 175.10 173.34 1irg n GLU 4 N -0.13 2.67 -3.68 2.72 0.28 -1.26 -4.89 120.64 116.35 1irg n GLU 4 Ca -0.10 -4.61 -0.21 0.00 -0.16 0.00 0.00 57.16 52.07 1irg n GLU 4 Cb 0.62 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1irg n ARG 5 N 1.23 -1.45 -0.16 3.44 3.00 -1.26 -4.90 116.66 116.57 1irg n ARG 5 Ca 0.27 0.85 -0.12 0.00 -0.01 0.00 0.00 57.85 58.84 1irg n ARG 5 Cb 0.39 -2.93 0.11 0.00 0.00 0.00 0.00 32.46 30.03 1irg n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1irg n MET 6 N -2.61 -2.30 -3.74 5.56 0.00 -1.26 -5.05 117.12 107.72 1irg n MET 6 Ca -0.25 -0.56 -0.04 0.00 0.00 0.00 0.00 57.70 56.85 1irg n MET 6 Cb 0.65 -0.83 -0.01 0.00 0.00 0.00 0.00 33.22 33.03 1irg n MET 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1irg s ARG 7 N -3.37 1.18 0.25 3.17 6.06 -1.26 -5.03 118.95 119.95 1irg s ARG 7 Ca 0.26 -0.64 -0.02 0.00 -2.50 0.00 0.00 55.73 52.83 1irg s ARG 7 Cb -0.05 0.41 0.31 0.00 0.06 0.00 0.00 34.95 35.69 1irg s ARG 7 CO 0.21 -0.54 1.72 1.98 -2.50 0.00 0.00 175.30 176.17 1irg h MET 8 N 2.00 0.72 0.11 5.12 4.05 -1.98 -1.46 114.93 123.48 1irg h MET 8 Ca -0.24 -0.23 0.02 0.00 -0.28 0.00 0.00 59.70 58.97 1irg h MET 8 Cb 1.23 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 1irg h MET 8 CO 0.26 0.81 -0.44 0.00 0.23 0.00 0.00 176.91 177.77 1irg h ARG 9 N 0.66 -0.64 -0.17 0.39 3.08 -2.00 -1.36 114.38 114.33 1irg h ARG 9 Ca 0.11 0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1irg h ARG 9 Cb 0.57 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1irg h ARG 9 CO 0.04 -0.43 -0.41 -1.00 -1.07 0.00 0.00 179.97 177.10 1irg h PRO 10 N -0.67 0.40 -0.83 0.04 0.13 -1.96 -1.75 132.00 127.36 1irg h PRO 10 Ca 0.02 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1irg h PRO 10 Cb 0.69 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1irg h PRO 10 CO -0.26 0.74 0.54 2.35 -0.23 0.00 0.00 178.00 181.15 1irg h TRP 11 N 0.33 1.03 -0.00 1.56 7.01 -0.82 0.22 115.95 125.28 1irg h TRP 11 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1irg h TRP 11 Cb 0.86 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1irg h TRP 11 CO 0.02 0.63 -0.01 1.25 -2.79 0.00 0.00 178.44 177.55 1irg h LEU 12 N 1.09 0.01 -2.55 0.65 7.12 -1.12 -1.71 115.31 118.81 1irg h LEU 12 Ca 0.31 -0.61 0.01 0.00 0.13 0.00 0.00 57.88 57.72 1irg h LEU 12 Cb -0.09 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1irg h LEU 12 CO -0.08 0.62 0.14 -0.08 -0.13 0.00 0.00 178.44 178.91 1irg h GLU 13 N -0.60 0.00 0.00 1.25 4.81 -1.05 -0.96 114.58 118.03 1irg h GLU 13 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1irg h GLU 13 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1irg h GLU 13 CO 0.00 0.00 -0.08 1.49 -0.73 0.00 0.00 179.01 179.69 1irg h GLU 14 N 0.00 0.00 -0.85 1.92 4.22 -0.27 -1.34 114.58 118.26 1irg h GLU 14 Ca 0.01 0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.68 1irg h GLU 14 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1irg h GLU 14 CO -0.00 0.00 0.60 1.96 -2.18 0.00 0.00 179.01 179.39 1irg h GLN 15 N -0.95 0.12 0.13 1.92 1.08 -0.98 -0.37 115.11 116.05 1irg h GLN 15 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1irg h GLN 15 Cb 0.08 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1irg h GLN 15 CO 0.00 0.08 -0.06 0.82 -0.95 0.00 0.00 178.83 178.72 1irg h ILE 16 N 0.12 0.00 -0.45 2.54 2.04 -1.28 -0.66 117.51 119.82 1irg h ILE 16 Ca 0.42 -0.58 0.13 0.00 1.00 0.00 0.00 64.86 65.83 1irg h ILE 16 Cb 1.47 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1irg h ILE 16 CO -0.06 0.00 0.71 0.78 0.00 0.00 0.00 178.15 179.59 1irg h ASN 17 N -0.75 0.00 0.18 1.72 2.35 -0.76 0.30 115.58 118.62 1irg h ASN 17 Ca -0.02 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.38 1irg h ASN 17 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1irg h ASN 17 CO 0.03 0.00 -1.93 -1.28 -1.65 0.00 0.00 177.43 172.60 1irg h SER 18 N 0.00 0.40 -3.82 5.81 0.87 -1.09 -3.50 113.55 112.22 1irg h SER 18 Ca 0.21 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1irg h SER 18 Cb 1.64 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1irg h SER 18 CO -0.00 1.76 -0.20 -3.20 -0.53 0.00 0.00 176.83 174.66 1irg n ASN 19 N -3.45 -4.16 -0.00 6.23 2.85 0.10 -4.98 115.26 111.85 1irg n ASN 19 Ca -0.29 0.23 0.10 0.00 -0.11 0.00 0.00 54.58 54.50 1irg n ASN 19 Cb 1.05 -2.59 -0.14 0.00 1.24 0.00 0.00 39.78 39.35 1irg n ASN 19 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1irg n THR 20 N -0.36 0.00 -4.10 -0.44 5.66 -1.24 -4.95 114.28 108.84 1irg n THR 20 Ca 0.04 -0.27 -0.15 0.00 -3.05 0.00 0.00 64.05 60.62 1irg n THR 20 Cb 0.15 0.48 -0.14 0.00 -1.55 0.00 0.00 70.33 69.27 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1irg s ILE 21 N -3.14 0.37 -1.20 1.09 1.01 -1.26 -5.06 121.20 113.01 1irg s ILE 21 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 1irg s ILE 21 Cb 0.14 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1irg s ILE 21 CO 0.82 0.02 1.88 -0.81 0.00 0.00 0.00 174.94 176.85 1irg n PRO 22 N 2.73 2.11 0.00 2.79 -0.04 -1.26 -2.45 135.00 138.88 1irg n PRO 22 Ca -0.14 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1irg n PRO 22 Cb 0.58 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 1irg n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1irg n GLY 23 N 5.52 0.25 3.41 0.55 0.00 -1.26 -4.98 105.19 108.69 1irg n GLY 23 Ca 0.47 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 3.08 -0.06 0.99 2.96 -1.03 -2.56 118.68 122.07 1irg s LEU 24 Ca 0.00 -0.25 -0.32 0.00 -0.22 0.00 0.00 54.13 53.34 1irg s LEU 24 Cb 0.00 -1.76 0.13 0.00 0.50 0.00 0.00 46.19 45.06 1irg s LEU 24 CO 0.00 0.09 1.30 -1.59 -1.32 0.00 0.00 176.35 174.83 1irg s LYS 25 N 0.86 0.32 -0.74 1.98 0.00 -0.50 -4.57 119.74 117.09 1irg s LYS 25 Ca -0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 55.97 55.53 1irg s LYS 25 Cb -0.15 0.11 0.02 0.00 0.00 0.00 0.00 37.83 37.82 1irg s LYS 25 CO 0.01 -0.15 1.43 -1.58 0.00 0.00 0.00 175.35 175.07 1irg s TRP 26 N -2.35 2.15 0.34 1.78 0.52 -1.26 -1.20 118.94 118.91 1irg s TRP 26 Ca 0.14 0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.41 1irg s TRP 26 Cb 0.04 -4.51 0.73 0.00 -1.15 0.00 0.00 33.47 28.59 1irg s TRP 26 CO -0.04 -2.11 1.88 -0.07 0.02 0.00 0.00 176.95 176.63 1irg h LEU 27 N 13.86 0.73 -5.64 2.99 3.38 -0.07 -3.32 115.31 127.22 1irg h LEU 27 Ca -0.23 0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.44 1irg h LEU 27 Cb 1.07 -0.12 -0.26 0.00 0.09 0.00 0.00 40.66 41.45 1irg h LEU 27 CO 1.28 0.40 -0.69 0.21 0.09 0.00 0.00 178.44 179.72 1irg s ASN 28 N -5.85 -0.18 0.57 -0.43 3.04 -0.98 -4.98 114.94 106.12 1irg s ASN 28 Ca -0.10 -2.22 0.27 0.00 0.04 0.00 0.00 52.86 50.84 1irg s ASN 28 Cb 0.21 0.91 1.68 0.00 -1.54 0.00 0.00 41.25 42.52 1irg s ASN 28 CO 0.79 -0.11 2.22 0.50 -3.04 0.00 0.00 177.10 177.45 1irg h LYS 29 N 5.43 0.00 -0.73 0.43 1.63 -1.77 0.28 116.57 121.85 1irg h LYS 29 Ca 0.14 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1irg h LYS 29 Cb 1.03 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 1irg h LYS 29 CO 0.16 0.02 0.48 1.49 -3.45 0.00 0.00 179.45 178.15 1irg h GLU 30 N 0.00 0.76 -0.01 1.90 4.81 -1.93 -1.61 114.58 118.50 1irg h GLU 30 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1irg h GLU 30 Cb 0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1irg h GLU 30 CO 0.00 0.50 -0.52 1.63 -0.73 0.00 0.00 179.01 179.89 1irg n LYS 31 N -4.48 1.58 -1.74 1.92 5.02 -0.24 -5.00 118.16 115.22 1irg n LYS 31 Ca 0.11 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1irg n LYS 31 Cb 0.21 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.58 0.00 -4.03 1.97 5.02 0.84 -4.67 118.16 116.69 1irg n LYS 32 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1irg n LYS 32 Cb 0.32 -2.18 -0.15 0.00 -0.02 0.00 0.00 35.03 33.01 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1irg s ILE 33 N -2.75 2.51 -0.10 -0.18 1.09 -0.59 -0.68 121.20 120.50 1irg s ILE 33 Ca 0.00 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1irg s ILE 33 Cb 0.00 -2.19 0.01 0.00 -1.06 0.00 0.00 42.46 39.21 1irg s ILE 33 CO 0.00 0.35 -0.20 0.72 -0.10 0.00 0.00 174.94 175.71 1irg s PHE 34 N 1.30 2.26 -0.09 3.97 -0.71 0.03 0.70 117.98 125.44 1irg s PHE 34 Ca 0.02 -0.96 -0.02 0.00 -1.04 0.00 0.00 56.93 54.94 1irg s PHE 34 Cb -0.15 -1.55 -0.03 0.00 -1.21 0.00 0.00 43.02 40.08 1irg s PHE 34 CO -0.08 -0.42 -0.01 1.14 -1.34 0.00 0.00 175.22 174.51 1irg s GLN 35 N 0.54 3.03 0.16 1.99 -2.07 -0.34 -0.45 119.66 122.53 1irg s GLN 35 Ca -0.15 -0.44 0.07 0.00 -1.82 0.00 0.00 55.36 53.02 1irg s GLN 35 Cb -0.17 -2.78 -0.04 0.00 -1.09 0.00 0.00 33.01 28.93 1irg s GLN 35 CO 0.05 0.65 0.02 0.42 -1.32 0.00 0.00 175.29 175.11 1irg s ILE 36 N -0.73 3.85 -0.00 3.63 1.01 -0.74 -1.41 121.20 126.81 1irg s ILE 36 Ca 0.11 -1.33 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 1irg s ILE 36 Cb -0.12 -2.93 -0.32 0.00 0.01 0.00 0.00 42.46 39.11 1irg s ILE 36 CO 0.02 -0.08 0.85 1.55 0.00 0.00 0.00 174.94 177.27 1irg h PRO 37 N 2.75 0.41 0.00 2.79 0.13 -1.70 -1.52 132.00 134.86 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 0.59 1.31 0.00 0.91 -0.23 0.00 0.00 178.00 180.58 1irg n TRP 38 N -3.60 0.00 -2.00 1.56 7.02 -1.26 -3.89 117.44 115.26 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 1.08 0.08 -0.00 0.00 -2.42 0.00 0.00 31.31 30.05 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 0.37 0.00 -3.65 -0.99 0.00 -1.26 -4.81 117.12 106.78 1irg n MET 39 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 57.70 57.28 1irg n MET 39 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 33.22 33.16 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 0.00 -2.30 0.00 3.17 -0.00 -1.26 -3.54 115.22 111.29 1irg n HIS 40 Ca -0.00 0.94 0.00 0.00 0.46 0.00 0.00 57.72 59.12 1irg n HIS 40 Cb 0.53 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 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 -1.97 0.00 0.00 1.57 0.00 -1.26 -3.27 120.51 115.58 1irg n ALA 41 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1irg n ALA 41 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg n ALA 42 N 6.16 0.00 -1.56 0.00 0.00 -1.23 -4.77 120.51 119.12 1irg n ALA 42 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1irg n ALA 42 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1irg n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1irg n ARG 43 N 0.00 0.57 -0.90 0.00 0.00 -1.20 -1.29 116.66 113.84 1irg n ARG 43 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 57.85 57.09 1irg n ARG 43 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 32.46 28.89 1irg n ARG 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1irg n HIS 44 N 18.03 0.00 -3.26 -0.14 8.25 -1.26 -4.86 115.22 131.97 1irg n HIS 44 Ca 0.47 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.68 1irg n HIS 44 Cb 0.43 -1.12 -0.07 0.00 1.12 0.00 0.00 29.99 30.34 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 -1.03 3.80 1.75 -1.41 0.00 -0.41 -4.85 105.19 103.04 1irg n GLY 45 Ca 0.00 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 1.03 1.88 0.00 1.61 2.14 -1.26 -4.29 117.44 118.55 1irg n TRP 46 Ca 0.25 -0.73 0.00 0.00 2.07 0.00 0.00 57.50 59.09 1irg n TRP 46 Cb 0.49 -0.46 0.00 0.00 -0.81 0.00 0.00 31.31 30.53 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 0.57 0.00 -2.94 -0.67 2.03 -1.26 -5.03 116.55 109.26 1irg n ASP 47 Ca 0.27 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.18 1irg n ASP 47 Cb 1.13 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.56 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 3.67 -1.75 5.18 0.31 -1.26 -4.81 118.33 119.67 1irg n VAL 48 Ca 0.00 -4.33 -0.03 0.00 -0.01 0.00 0.00 64.34 59.97 1irg n VAL 48 Cb 0.00 -1.25 -0.01 0.00 -0.91 0.00 0.00 33.84 31.67 1irg n VAL 48 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1irg n GLU 49 N -0.51 -1.88 0.12 5.55 0.28 -1.26 -4.75 120.64 118.19 1irg n GLU 49 Ca 0.54 0.17 -0.14 0.00 -0.16 0.00 0.00 57.16 57.57 1irg n GLU 49 Cb 0.23 -4.45 -0.08 0.00 1.43 0.00 0.00 31.44 28.58 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1irg h LYS 50 N 0.00 -0.26 -2.36 3.44 1.79 -1.93 -3.27 116.57 113.98 1irg h LYS 50 Ca -0.07 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.76 1irg h LYS 50 Cb 0.61 0.06 -0.38 0.00 -1.58 0.00 0.00 32.23 30.94 1irg h LYS 50 CO 0.09 -0.06 -0.16 -3.47 -1.08 0.00 0.00 179.45 174.77 1irg n ASP 51 N -5.14 4.85 -0.02 0.86 -0.08 -1.26 -4.82 116.55 110.94 1irg n ASP 51 Ca -0.09 -3.52 -0.21 0.00 -1.51 0.00 0.00 54.79 49.45 1irg n ASP 51 Cb 0.18 -0.81 -0.13 0.00 2.34 0.00 0.00 41.12 42.69 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1irg n ALA 52 N 0.58 0.93 -1.00 -1.67 0.00 -1.23 -4.17 120.51 113.95 1irg n ALA 52 Ca 0.31 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1irg n ALA 52 Cb 0.37 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1irg n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1irg n PRO 53 N -3.56 0.00 0.21 0.00 -0.04 -1.26 -2.50 135.00 127.85 1irg n PRO 53 Ca -0.34 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.23 1irg n PRO 53 Cb 1.01 -0.02 0.57 0.00 -0.04 0.00 0.00 33.50 35.02 1irg n PRO 53 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1irg h LEU 54 N 0.00 0.00 0.17 1.53 -0.00 -1.98 0.44 115.31 115.47 1irg h LEU 54 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1irg h LEU 54 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1irg h LEU 54 CO 0.00 0.00 -1.34 0.15 -0.00 0.00 0.00 178.44 177.25 1irg h PHE 55 N 0.00 1.00 0.00 0.17 3.04 -1.75 -2.66 116.94 116.73 1irg h PHE 55 Ca 0.00 -0.66 0.00 0.00 3.98 0.00 0.00 57.97 61.29 1irg h PHE 55 Cb 0.42 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1irg h PHE 55 CO 0.00 1.51 0.00 -0.09 -2.02 0.00 0.00 178.31 177.71 1irg h ARG 56 N 0.23 0.00 0.00 1.11 1.12 0.10 -1.49 114.38 115.45 1irg h ARG 56 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 1irg h ARG 56 Cb 2.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.97 1irg h ARG 56 CO 0.25 0.00 0.00 -1.71 -3.11 0.00 0.00 179.97 175.40 1irg n ASN 57 N -2.51 0.00 0.00 -3.80 5.15 -0.22 -4.03 115.26 109.85 1irg n ASN 57 Ca 0.02 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1irg n ASN 57 Cb 0.26 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 1irg n ASN 57 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1irg n TRP 58 N -1.37 0.00 -0.33 1.20 5.03 -0.56 -0.12 117.44 121.28 1irg n TRP 58 Ca 0.06 0.00 0.31 0.00 3.03 0.00 0.00 57.50 60.89 1irg n TRP 58 Cb 0.14 0.00 0.47 0.00 -1.03 0.00 0.00 31.31 30.90 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 -3.00 1.10 -0.54 6.99 0.00 -1.26 -1.31 120.51 122.48 1irg n ALA 59 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1irg n ALA 59 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.15 0.00 0.19 0.00 -0.00 -1.23 -1.11 119.36 114.06 1irg n ILE 60 Ca 0.26 0.23 -0.12 0.00 -0.00 0.00 0.00 62.75 63.11 1irg n ILE 60 Cb 1.42 -0.91 -0.07 0.00 -0.00 0.00 0.00 39.64 40.08 1irg n ILE 60 CO 0.00 0.00 0.00 -0.74 -0.00 0.00 0.00 176.55 175.81 1irg h HIS 61 N 0.00 -0.95 -1.07 1.39 2.76 -0.08 -2.03 115.15 115.16 1irg h HIS 61 Ca 0.00 0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.60 1irg h HIS 61 Cb 0.00 0.37 -0.17 0.00 1.55 0.00 0.00 27.41 29.16 1irg h HIS 61 CO 0.00 -0.45 0.60 1.79 -1.30 0.00 0.00 177.93 178.57 1irg h THR 62 N -0.67 0.03 -0.35 6.26 1.35 -1.13 -3.44 112.91 114.96 1irg h THR 62 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1irg h THR 62 Cb 0.59 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1irg h THR 62 CO -0.05 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1irg n GLY 63 N -1.31 0.83 0.11 5.82 0.00 -0.77 -5.00 105.19 104.87 1irg n GLY 63 Ca 0.38 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.17 2.58 0.00 1.61 5.02 -1.05 -5.04 118.16 121.11 1irg n LYS 64 Ca 0.00 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 1irg n LYS 64 Cb 0.13 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.62 0.00 -3.87 2.13 -0.00 -0.27 -4.91 115.22 107.68 1irg n HIS 65 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.66 1irg n HIS 65 Cb 0.38 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.26 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 0.34 0.08 1.57 1.11 -1.26 -4.25 119.66 115.25 1irg s GLN 66 Ca 0.00 -0.21 0.25 0.00 0.01 0.00 0.00 55.36 55.41 1irg s GLN 66 Cb 0.00 0.14 0.99 0.00 -1.01 0.00 0.00 33.01 33.14 1irg s GLN 66 CO 0.00 -0.07 1.78 -0.35 0.01 0.00 0.00 175.29 176.66 1irg n PRO 67 N 2.04 0.08 -0.08 2.91 -0.04 -1.26 -2.20 135.00 136.45 1irg n PRO 67 Ca -0.19 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1irg n PRO 67 Cb 0.57 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1irg n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1irg n GLY 68 N 1.02 1.30 0.00 0.55 0.00 -1.26 -4.89 105.19 101.91 1irg n GLY 68 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.38 -0.61 5.41 -1.14 -5.12 119.36 116.99 1irg n ILE 69 Ca 0.08 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.54 1irg n ILE 69 Cb 0.33 -0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.39 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 1.00 3.67 0.27 4.38 2.15 -0.93 -4.93 116.67 122.29 1irg s ASP 70 Ca 0.00 1.27 -0.09 0.00 0.43 0.00 0.00 52.55 54.15 1irg s ASP 70 Cb 0.00 -1.94 -0.07 0.00 -0.30 0.00 0.00 42.92 40.61 1irg s ASP 70 CO 0.00 -2.48 0.60 -0.54 -0.17 0.00 0.00 175.17 172.57 1irg s LYS 71 N -5.08 3.78 -0.47 4.34 3.01 -1.26 -4.35 119.74 119.71 1irg s LYS 71 Ca 0.63 0.28 -0.29 0.00 -1.01 0.00 0.00 55.97 55.58 1irg s LYS 71 Cb -0.16 -2.59 0.02 0.00 -1.01 0.00 0.00 37.83 34.09 1irg s LYS 71 CO 0.55 0.24 1.28 -1.25 0.51 0.00 0.00 175.35 176.67 1irg s PRO 72 N -3.11 3.61 -0.34 -1.68 0.04 -1.26 -4.83 135.00 127.43 1irg s PRO 72 Ca 0.48 0.68 0.04 0.00 0.04 0.00 0.00 61.00 62.23 1irg s PRO 72 Cb -0.11 -3.98 0.10 0.00 0.04 0.00 0.00 34.50 30.55 1irg s PRO 72 CO 0.24 -1.53 0.05 -0.51 0.04 0.00 0.00 177.00 175.29 1irg s ASP 73 N 3.25 4.77 0.00 6.66 1.11 -1.26 -4.93 116.67 126.28 1irg s ASP 73 Ca 0.53 -2.12 0.27 0.00 0.18 0.00 0.00 52.55 51.41 1irg s ASP 73 Cb -0.10 -1.63 1.41 0.00 1.07 0.00 0.00 42.92 43.67 1irg s ASP 73 CO 0.31 -0.38 1.92 -0.81 1.18 0.00 0.00 175.17 177.39 1irg n PRO 74 N 4.27 0.50 -0.04 8.23 -0.04 -1.26 -3.35 135.00 143.31 1irg n PRO 74 Ca 0.03 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1irg n PRO 74 Cb 0.42 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.66 0.06 0.54 1.79 -2.03 -3.21 116.57 114.39 1irg h LYS 75 Ca 0.00 -0.28 -0.35 0.00 -2.18 0.00 0.00 60.65 57.84 1irg h LYS 75 Cb 0.18 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1irg h LYS 75 CO 0.00 0.87 -2.02 2.41 -1.08 0.00 0.00 179.45 179.63 1irg n THR 76 N -4.09 1.67 -0.24 -0.16 -1.04 -1.21 -3.98 114.28 105.22 1irg n THR 76 Ca -0.00 -0.70 0.32 0.00 -2.04 0.00 0.00 64.05 61.63 1irg n THR 76 Cb 0.45 -1.40 0.64 0.00 -1.82 0.00 0.00 70.33 68.20 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 0.04 0.00 0.16 -1.42 6.55 -1.57 0.24 115.95 119.95 1irg h TRP 77 Ca -0.42 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.41 1irg h TRP 77 Cb 2.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.33 1irg h TRP 77 CO 0.04 0.00 -0.08 -0.22 -1.05 0.00 0.00 178.44 177.14 1irg h LYS 78 N 0.00 -0.21 0.00 0.49 3.64 -1.68 -3.00 116.57 115.81 1irg h LYS 78 Ca 0.51 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1irg h LYS 78 Cb 2.49 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.36 1irg h LYS 78 CO -0.01 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 1irg h ALA 79 N 0.00 1.00 0.00 5.00 0.00 -0.79 -1.60 119.26 122.87 1irg h ALA 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1irg h ALA 79 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1irg h ALA 79 CO 0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1irg n ASN 80 N -2.85 0.51 -0.12 0.00 5.03 -0.44 -3.31 115.26 114.09 1irg n ASN 80 Ca 0.00 0.58 -0.21 0.00 0.87 0.00 0.00 54.58 55.82 1irg n ASN 80 Cb 0.23 -0.70 -0.08 0.00 -1.02 0.00 0.00 39.78 38.21 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 -2.01 0.30 -0.38 3.10 -0.00 -0.62 -4.05 117.46 113.79 1irg n PHE 81 Ca 0.05 0.13 0.30 0.00 -0.00 0.00 0.00 57.45 57.93 1irg n PHE 81 Cb 0.32 -0.89 0.59 0.00 -0.00 0.00 0.00 39.48 39.50 1irg n PHE 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1irg h ARG 82 N -1.00 0.22 -0.41 -4.13 2.47 -1.61 0.56 114.38 110.47 1irg h ARG 82 Ca -0.42 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.26 1irg h ARG 82 Cb 1.32 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 1irg h ARG 82 CO -0.25 0.14 0.13 0.00 0.56 0.00 0.00 179.97 180.55 1irg h ALA 84 N 0.98 2.22 0.24 0.00 0.00 -0.02 0.64 119.26 123.32 1irg h ALA 84 Ca 0.13 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1irg h ALA 84 Cb 0.26 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.13 1irg h ALA 84 CO -0.00 -0.93 -1.43 0.52 0.00 0.00 0.00 179.25 177.40 1irg h MET 85 N 0.00 0.50 -0.88 0.00 2.07 -1.18 -3.19 114.93 112.25 1irg h MET 85 Ca 0.23 -0.86 -0.01 0.00 -2.07 0.00 0.00 59.70 57.00 1irg h MET 85 Cb 1.59 0.32 -0.00 0.00 -1.87 0.00 0.00 31.60 31.64 1irg h MET 85 CO -0.00 1.41 0.01 0.09 1.07 0.00 0.00 176.91 179.49 1irg n ASN 86 N -3.76 2.47 -0.40 1.22 3.02 0.21 -4.84 115.26 113.19 1irg n ASN 86 Ca -0.17 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 1irg n ASN 86 Cb 1.07 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.18 1.40 -1.25 6.41 2.88 -0.48 -4.98 113.62 117.79 1irg n SER 87 Ca 0.09 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1irg n SER 87 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.50 -0.84 2.46 4.32 -1.26 -4.61 117.00 116.57 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 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1irg n LEU 88 CO 0.00 -0.99 0.26 -0.81 -1.22 0.00 0.00 177.39 174.63 1irg n PRO 89 N 1.80 0.63 0.00 3.23 -0.04 -1.26 -2.49 135.00 136.87 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 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.53 0.56 -4.84 3.54 5.68 -1.26 -5.02 116.55 115.74 1irg n ASP 90 Ca 0.00 -0.98 -0.36 0.00 -0.50 0.00 0.00 54.79 52.95 1irg n ASP 90 Cb 0.26 0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.02 4.84 -0.39 2.12 -4.36 -1.04 -0.70 121.20 121.66 1irg s ILE 91 Ca 0.00 0.91 0.01 0.00 -0.26 0.00 0.00 60.65 61.31 1irg s ILE 91 Cb 0.00 -3.77 0.12 0.00 1.25 0.00 0.00 42.46 40.06 1irg s ILE 91 CO 0.00 0.33 0.17 -1.61 0.24 0.00 0.00 174.94 174.08 1irg s GLU 92 N -1.72 1.09 0.50 0.37 0.41 0.11 -4.84 118.70 114.62 1irg s GLU 92 Ca 0.35 -1.67 -0.23 0.00 -0.41 0.00 0.00 54.97 53.01 1irg s GLU 92 Cb -0.16 -2.27 -0.07 0.00 -1.78 0.00 0.00 34.13 29.85 1irg s GLU 92 CO 0.19 -1.08 1.26 -0.85 -0.49 0.00 0.00 175.26 174.28 1irg n GLU 93 N 4.06 1.68 -3.25 1.61 0.28 -1.26 -1.32 120.64 122.43 1irg n GLU 93 Ca 0.05 0.61 -0.10 0.00 -0.16 0.00 0.00 57.16 57.55 1irg n GLU 93 Cb 0.38 -2.43 -0.05 0.00 1.43 0.00 0.00 31.44 30.77 1irg n GLU 93 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1irg s VAL 94 N -1.28 -0.57 -0.42 3.84 1.01 0.36 -4.90 120.40 118.44 1irg s VAL 94 Ca 0.67 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1irg s VAL 94 Cb -0.46 -0.42 0.69 0.00 0.00 0.00 0.00 36.38 36.19 1irg s VAL 94 CO 0.53 -0.38 1.89 2.29 0.00 0.00 0.00 175.10 179.43 1irg n LYS 95 N 4.06 2.57 -1.56 2.72 2.85 -1.26 -1.08 118.16 126.46 1irg n LYS 95 Ca 0.13 -3.03 -0.44 0.00 -1.05 0.00 0.00 58.31 53.92 1irg n LYS 95 Cb 0.50 -2.19 -0.01 0.00 -0.65 0.00 0.00 35.03 32.69 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 -0.93 0.89 -0.34 -5.58 8.00 -1.26 -4.88 116.55 112.44 1irg n ASP 96 Ca 0.56 1.13 0.04 0.00 0.71 0.00 0.00 54.79 57.22 1irg n ASP 96 Cb 1.61 -1.26 0.06 0.00 -0.02 0.00 0.00 41.12 41.51 1irg n ASP 96 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1irg n ARG 97 N 0.65 1.14 -0.88 -1.24 1.74 -1.26 -4.55 116.66 112.26 1irg n ARG 97 Ca 0.10 -1.29 -0.18 0.00 -0.77 0.00 0.00 57.85 55.71 1irg n ARG 97 Cb 0.33 -1.15 0.12 0.00 -1.02 0.00 0.00 32.46 30.74 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1irg n SER 98 N 0.31 3.90 0.00 0.55 7.64 -1.26 -4.05 113.62 120.71 1irg n SER 98 Ca 0.05 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1irg n SER 98 Cb 0.25 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 -0.60 0.00 0.30 0.44 -0.00 -1.26 -4.98 119.36 113.25 1irg n ILE 99 Ca 0.42 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 63.05 1irg n ILE 99 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.83 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 -0.74 -5.06 0.38 1.57 -1.80 -3.48 116.57 107.44 1irg h LYS 100 Ca 0.00 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1irg h LYS 100 Cb 0.00 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.36 1irg h LYS 100 CO 0.00 -0.49 -1.49 1.63 -0.57 0.00 0.00 179.45 178.53 1irg n LYS 101 N -4.29 -4.39 0.00 3.15 5.02 -1.26 -5.05 118.16 111.34 1irg n LYS 101 Ca -0.09 3.34 0.00 0.00 -2.02 0.00 0.00 58.31 59.53 1irg n LYS 101 Cb 0.30 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 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 1.57 2.40 0.00 0.72 0.00 -1.26 -5.09 105.19 103.53 1irg n GLY 102 Ca -0.35 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 1.61 4.13 -1.26 -5.00 115.26 114.74 1irg n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1irg n ASN 103 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.00 0.97 -1.18 6.41 3.02 -1.26 -5.09 115.26 118.13 1irg n ASN 104 Ca 0.00 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1irg n ASN 104 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irg n ALA 105 N -0.13 -2.77 -3.82 5.41 0.00 -1.26 -4.60 120.51 113.33 1irg n ALA 105 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1irg n ALA 105 Cb 0.17 -0.45 -0.16 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.13 1.43 -0.64 0.00 0.08 -1.25 -4.28 117.98 113.19 1irg s PHE 106 Ca 0.00 -1.00 -0.03 0.00 0.12 0.00 0.00 56.93 56.02 1irg s PHE 106 Cb 0.00 -1.19 0.17 0.00 -0.57 0.00 0.00 43.02 41.43 1irg s PHE 106 CO 0.00 -0.61 0.46 0.50 -0.10 0.00 0.00 175.22 175.47 1irg s ARG 107 N 1.72 2.61 -0.31 0.44 3.52 -0.57 -4.09 118.95 122.26 1irg s ARG 107 Ca -0.01 -2.59 -0.29 0.00 -0.13 0.00 0.00 55.73 52.72 1irg s ARG 107 Cb -0.16 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1irg s ARG 107 CO -0.07 -1.18 1.22 0.08 -0.81 0.00 0.00 175.30 174.53 1irg s VAL 108 N -0.16 4.27 -0.19 7.11 1.01 -0.24 -1.78 120.40 130.41 1irg s VAL 108 Ca 0.18 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 1irg s VAL 108 Cb -0.20 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1irg s VAL 108 CO -0.04 -0.50 0.08 -0.31 0.00 0.00 0.00 175.10 174.33 1irg s TYR 109 N 4.12 3.29 -0.27 5.22 1.51 0.41 0.14 117.35 131.76 1irg s TYR 109 Ca 0.52 0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 56.61 1irg s TYR 109 Cb -0.15 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1irg s TYR 109 CO 0.21 0.18 0.15 1.03 -1.11 0.00 0.00 175.55 176.01 1irg s ARG 110 N 0.38 3.79 -0.91 -0.62 0.52 -0.44 -0.79 118.95 120.88 1irg s ARG 110 Ca 0.04 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 1irg s ARG 110 Cb -0.12 -3.55 0.20 0.00 0.52 0.00 0.00 34.95 32.00 1irg s ARG 110 CO -0.00 -0.21 0.94 -1.64 0.02 0.00 0.00 175.30 174.40 1irg s MET 111 N 1.70 3.70 0.58 3.54 -1.94 0.14 0.07 119.30 127.09 1irg s MET 111 Ca 0.07 -2.37 -0.20 0.00 -1.71 0.00 0.00 55.69 51.47 1irg s MET 111 Cb -0.16 -4.61 -0.04 0.00 2.01 0.00 0.00 34.83 32.04 1irg s MET 111 CO 0.08 -1.44 1.26 1.28 -0.01 0.00 0.00 175.02 176.20 1irg n LEU 112 N 4.60 5.27 0.00 -0.03 4.77 0.12 -4.66 117.00 127.07 1irg n LEU 112 Ca 0.19 0.91 0.13 0.00 -0.03 0.00 0.00 56.01 57.21 1irg n LEU 112 Cb 0.46 -1.53 0.79 0.00 -2.33 0.00 0.00 43.42 40.82 1irg n LEU 112 CO 0.41 -0.95 0.97 -0.81 -1.33 0.00 0.00 177.39 175.68