#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 -3.60 0.00 0.52 0.31 -1.26 -4.93 118.33 109.38 1irg n VAL 3 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1irg n VAL 3 Cb 0.00 -3.00 0.00 0.00 -0.91 0.00 0.00 33.84 29.93 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 -4.37 0.00 -2.91 5.55 1.02 -1.26 -5.07 120.64 113.61 1irg n GLU 4 Ca -0.28 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.58 1irg n GLU 4 Cb 0.67 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.06 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1irg n ARG 5 N -0.01 3.44 -2.21 3.49 1.74 -1.26 -4.98 116.66 116.87 1irg n ARG 5 Ca 0.00 -4.85 -0.15 0.00 -0.77 0.00 0.00 57.85 52.08 1irg n ARG 5 Cb 0.00 -2.26 0.01 0.00 -1.02 0.00 0.00 32.46 29.19 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1irg n MET 6 N -0.23 -0.75 -0.47 5.56 2.81 -1.26 -4.85 117.12 117.92 1irg n MET 6 Ca 0.32 0.65 -0.29 0.00 -1.81 0.00 0.00 57.70 56.57 1irg n MET 6 Cb 0.38 -0.89 0.27 0.00 -0.71 0.00 0.00 33.22 32.27 1irg n MET 6 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1irg s ARG 7 N -1.07 -1.90 0.30 0.03 6.06 -1.26 -4.65 118.95 116.47 1irg s ARG 7 Ca 0.14 0.50 0.06 0.00 -2.50 0.00 0.00 55.73 53.93 1irg s ARG 7 Cb -0.01 -1.47 0.48 0.00 0.06 0.00 0.00 34.95 34.01 1irg s ARG 7 CO 0.33 -4.29 1.73 1.98 -2.50 0.00 0.00 175.30 172.55 1irg h MET 8 N -3.01 0.27 0.63 5.12 1.85 -1.98 -0.77 114.93 117.04 1irg h MET 8 Ca -0.54 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 58.40 1irg h MET 8 Cb 1.34 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 33.36 1irg h MET 8 CO 0.41 0.60 -0.38 0.00 -0.40 0.00 0.00 176.91 177.14 1irg h ARG 9 N 0.24 -0.92 0.00 0.39 2.47 -2.00 -1.26 114.38 113.29 1irg h ARG 9 Ca 0.03 0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.71 1irg h ARG 9 Cb 0.75 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1irg h ARG 9 CO 0.06 -0.62 -0.50 -1.00 0.56 0.00 0.00 179.97 178.47 1irg h PRO 10 N -0.96 0.00 -0.77 0.04 0.13 -1.91 -1.37 132.00 127.16 1irg h PRO 10 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1irg h PRO 10 Cb 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1irg h PRO 10 CO 0.08 0.50 0.31 2.35 -0.23 0.00 0.00 178.00 181.01 1irg h TRP 11 N 0.00 1.18 -0.01 1.56 7.01 -0.90 -0.86 115.95 123.92 1irg h TRP 11 Ca -0.00 -0.09 -0.26 0.00 2.11 0.00 0.00 58.89 60.65 1irg h TRP 11 Cb 0.91 -0.35 0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1irg h TRP 11 CO 0.00 0.89 -1.01 1.25 -2.79 0.00 0.00 178.44 176.78 1irg h LEU 12 N 1.12 0.85 -1.37 0.65 5.85 -1.02 -1.89 115.31 119.50 1irg h LEU 12 Ca 0.26 -0.67 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1irg h LEU 12 Cb 0.21 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1irg h LEU 12 CO -0.02 1.47 0.48 -0.08 -0.34 0.00 0.00 178.44 179.95 1irg h GLU 13 N 0.38 0.74 0.13 1.25 4.81 -0.92 -1.25 114.58 119.73 1irg h GLU 13 Ca -0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1irg h GLU 13 Cb 1.66 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1irg h GLU 13 CO 0.19 0.49 -0.06 1.49 -0.73 0.00 0.00 179.01 180.39 1irg h GLU 14 N 0.77 -0.17 -0.48 1.92 4.81 -1.09 -1.29 114.58 119.04 1irg h GLU 14 Ca 0.32 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 1irg h GLU 14 Cb 0.26 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.59 1irg h GLU 14 CO -0.11 0.28 -0.47 1.96 -0.73 0.00 0.00 179.01 179.94 1irg h GLN 15 N -0.89 -0.29 0.49 1.92 1.08 -1.02 0.21 115.11 116.61 1irg h GLN 15 Ca -0.02 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1irg h GLN 15 Cb 0.53 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1irg h GLN 15 CO 0.03 -0.20 -0.33 0.82 -0.95 0.00 0.00 178.83 178.20 1irg h ILE 16 N -0.30 0.32 0.00 2.54 2.04 -1.33 0.32 117.51 121.09 1irg h ILE 16 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1irg h ILE 16 Cb 0.58 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1irg h ILE 16 CO -0.63 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.11 1irg n ASN 17 N -5.46 0.00 0.25 1.72 3.02 -0.49 0.22 115.26 114.52 1irg n ASN 17 Ca -0.11 0.82 0.18 0.00 -0.03 0.00 0.00 54.58 55.43 1irg n ASN 17 Cb 0.36 -0.32 0.82 0.00 -0.61 0.00 0.00 39.78 40.04 1irg n ASN 17 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1irg h SER 18 N 0.00 0.00 -3.99 6.41 0.02 -1.02 -3.46 113.55 111.51 1irg h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1irg h SER 18 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1irg h SER 18 CO 0.00 0.00 -0.22 -3.20 -1.14 0.00 0.00 176.83 172.27 1irg n ASN 19 N -3.27 -4.58 0.05 3.07 5.15 0.13 -4.94 115.26 110.87 1irg n ASN 19 Ca 0.01 0.23 0.12 0.00 -0.60 0.00 0.00 54.58 54.35 1irg n ASN 19 Cb 0.42 -2.91 0.28 0.00 -0.53 0.00 0.00 39.78 37.04 1irg n ASN 19 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1irg n THR 20 N -0.41 0.28 -4.04 -0.44 5.66 -0.81 -4.83 114.28 109.69 1irg n THR 20 Ca 0.05 -0.19 -0.14 0.00 -3.05 0.00 0.00 64.05 60.72 1irg n THR 20 Cb 0.20 -0.17 -0.14 0.00 -1.55 0.00 0.00 70.33 68.67 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 -3.10 0.24 -1.32 1.09 -1.09 -1.26 -5.00 121.20 110.76 1irg s ILE 21 Ca 0.09 -0.13 0.21 0.00 -2.23 0.00 0.00 60.65 58.59 1irg s ILE 21 Cb 0.15 -0.21 0.32 0.00 -1.58 0.00 0.00 42.46 41.14 1irg s ILE 21 CO 0.67 0.07 1.68 -0.81 -1.23 0.00 0.00 174.94 175.33 1irg n PRO 22 N 3.02 0.23 -0.00 2.79 -0.04 -1.26 -2.31 135.00 137.42 1irg n PRO 22 Ca -0.13 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1irg n PRO 22 Cb 0.59 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.56 -0.21 3.27 0.55 0.00 -1.26 -4.93 105.19 103.17 1irg n GLY 23 Ca 0.09 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.65 2.16 -0.05 0.99 2.96 -0.98 -2.26 118.68 118.85 1irg s LEU 24 Ca 0.04 -0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 1irg s LEU 24 Cb 0.09 -1.41 0.12 0.00 0.50 0.00 0.00 46.19 45.49 1irg s LEU 24 CO 0.52 0.22 1.22 -1.59 -1.32 0.00 0.00 176.35 175.39 1irg s LYS 25 N 0.01 0.46 -0.71 1.98 0.00 -0.50 -4.33 119.74 116.65 1irg s LYS 25 Ca -0.08 -0.23 -0.27 0.00 0.00 0.00 0.00 55.97 55.38 1irg s LYS 25 Cb -0.15 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.87 1irg s LYS 25 CO 0.05 -0.21 1.35 -1.58 0.00 0.00 0.00 175.35 174.96 1irg s TRP 26 N -2.53 2.23 0.39 1.78 0.52 -1.26 -1.26 118.94 118.81 1irg s TRP 26 Ca 0.12 0.09 0.11 0.00 0.02 0.00 0.00 56.10 56.44 1irg s TRP 26 Cb 0.02 -4.55 0.91 0.00 -1.15 0.00 0.00 33.47 28.70 1irg s TRP 26 CO -0.04 -2.07 1.91 -0.07 0.02 0.00 0.00 176.95 176.70 1irg h LEU 27 N 13.35 0.54 -5.40 2.99 3.38 -0.21 -3.33 115.31 126.62 1irg h LEU 27 Ca -0.28 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 1irg h LEU 27 Cb 1.06 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.53 1irg h LEU 27 CO 1.26 0.29 -0.56 0.21 0.09 0.00 0.00 178.44 179.73 1irg s ASN 28 N -5.95 -0.93 0.66 -0.43 3.84 -0.98 -4.97 114.94 106.18 1irg s ASN 28 Ca -0.09 -1.78 0.42 0.00 0.21 0.00 0.00 52.86 51.62 1irg s ASN 28 Cb 0.21 1.52 2.29 0.00 -0.55 0.00 0.00 41.25 44.72 1irg s ASN 28 CO 0.77 -0.09 2.33 0.50 -2.79 0.00 0.00 177.10 177.82 1irg h LYS 29 N 5.48 0.00 -0.44 0.43 1.63 -1.77 0.33 116.57 122.24 1irg h LYS 29 Ca 0.09 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1irg h LYS 29 Cb 1.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1irg h LYS 29 CO 0.08 0.00 0.24 1.49 -3.45 0.00 0.00 179.45 177.81 1irg h GLU 30 N 0.00 0.62 -0.15 1.90 4.81 -1.93 -2.06 114.58 117.77 1irg h GLU 30 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1irg h GLU 30 Cb 0.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1irg h GLU 30 CO -0.00 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 1irg n LYS 31 N -4.69 2.19 -2.60 1.92 4.76 -0.11 -4.97 118.16 114.66 1irg n LYS 31 Ca 0.01 -1.75 -0.08 0.00 -2.87 0.00 0.00 58.31 53.61 1irg n LYS 31 Cb 0.09 -1.47 0.04 0.00 -1.84 0.00 0.00 35.03 31.85 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1irg n LYS 32 N 1.05 -2.39 -4.11 1.97 4.76 0.98 -4.62 118.16 115.80 1irg n LYS 32 Ca 0.17 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.73 1irg n LYS 32 Cb 0.52 -4.05 -0.16 0.00 -1.84 0.00 0.00 35.03 29.50 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 -3.20 2.10 -0.08 -0.18 1.09 -0.57 -0.84 121.20 119.52 1irg s ILE 33 Ca 0.12 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1irg s ILE 33 Cb -0.02 -1.89 0.01 0.00 -1.06 0.00 0.00 42.46 39.50 1irg s ILE 33 CO 0.39 0.52 -0.19 0.72 -0.10 0.00 0.00 174.94 176.28 1irg s PHE 34 N 1.29 2.09 -0.17 3.97 -0.12 0.06 0.58 117.98 125.68 1irg s PHE 34 Ca 0.05 -0.83 -0.06 0.00 -0.05 0.00 0.00 56.93 56.04 1irg s PHE 34 Cb -0.13 -1.44 -0.04 0.00 -0.63 0.00 0.00 43.02 40.78 1irg s PHE 34 CO -0.13 -0.35 0.03 -1.14 -0.05 0.00 0.00 175.22 173.58 1irg s GLN 35 N 0.46 3.86 0.15 1.99 0.74 -0.39 -0.80 119.66 125.67 1irg s GLN 35 Ca -0.17 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 54.91 1irg s GLN 35 Cb -0.17 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 1irg s GLN 35 CO 0.07 0.28 0.04 0.42 -0.55 0.00 0.00 175.29 175.54 1irg s ILE 36 N 0.31 3.99 0.02 -2.34 1.01 -0.76 -1.41 121.20 122.02 1irg s ILE 36 Ca 0.01 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.32 1irg s ILE 36 Cb -0.13 -2.99 -0.31 0.00 0.01 0.00 0.00 42.46 39.04 1irg s ILE 36 CO 0.01 -0.06 0.92 1.55 0.00 0.00 0.00 174.94 177.36 1irg h PRO 37 N 2.77 0.39 0.00 2.79 0.13 -1.76 -0.63 132.00 135.70 1irg h PRO 37 Ca -0.47 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 63.99 1irg h PRO 37 Cb 1.19 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1irg h PRO 37 CO 0.60 1.29 0.00 0.91 -0.23 0.00 0.00 178.00 180.57 1irg n TRP 38 N -3.59 0.00 0.00 1.56 7.02 -1.26 -4.43 117.44 116.74 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 1.07 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.96 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 0.00 -0.88 -0.62 -0.99 0.00 -1.26 -4.55 117.12 108.82 1irg n MET 39 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.74 1irg n MET 39 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 33.22 33.43 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 -0.09 0.21 -1.61 3.17 -0.00 -1.26 -4.98 115.22 110.65 1irg n HIS 40 Ca 0.00 -1.50 -0.00 0.00 0.46 0.00 0.00 57.72 56.67 1irg n HIS 40 Cb 0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 29.58 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 -1.13 -3.02 -1.03 1.57 0.00 -1.26 -4.94 120.51 110.69 1irg n ALA 41 Ca 0.22 0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.38 1irg n ALA 41 Cb 0.75 -0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.22 -4.21 -0.53 0.00 0.00 -1.26 -4.58 120.51 109.71 1irg n ALA 42 Ca 0.01 -0.36 0.45 0.00 0.00 0.00 0.00 53.44 53.54 1irg n ALA 42 Cb 0.02 -1.17 0.79 0.00 0.00 0.00 0.00 19.45 19.09 1irg n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1irg h ARG 43 N -0.50 0.00 0.00 0.00 2.43 -1.92 -1.19 114.38 113.20 1irg h ARG 43 Ca -0.40 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.64 1irg h ARG 43 Cb 1.27 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1irg h ARG 43 CO 0.29 0.00 -1.48 0.72 -1.51 0.00 0.00 179.97 178.00 1irg n HIS 44 N -4.05 0.00 0.00 2.20 8.25 -1.26 -5.06 115.22 115.30 1irg n HIS 44 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1irg n HIS 44 Cb 1.67 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 32.46 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 2.92 1.58 1.11 -1.41 0.00 -0.45 -5.05 105.19 103.89 1irg n GLY 45 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.24 0.00 1.61 2.14 -1.26 -4.70 117.44 114.99 1irg n TRP 46 Ca 0.00 -0.53 0.00 0.00 2.07 0.00 0.00 57.50 59.04 1irg n TRP 46 Cb 0.00 0.58 0.00 0.00 -0.81 0.00 0.00 31.31 31.08 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 -0.18 0.00 -2.77 -0.67 9.92 -1.26 -5.05 116.55 116.54 1irg n ASP 47 Ca -0.20 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.05 1irg n ASP 47 Cb 0.63 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.19 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1irg n VAL 48 N 0.00 0.76 -0.29 2.53 0.31 -1.26 -4.86 118.33 115.52 1irg n VAL 48 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 64.34 62.18 1irg n VAL 48 Cb 0.00 1.19 0.00 0.00 -0.91 0.00 0.00 33.84 34.12 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 -0.98 1.18 0.00 5.55 0.00 -1.26 -4.53 120.64 120.60 1irg n GLU 49 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1irg n GLU 49 Cb 0.83 -0.39 0.00 0.00 0.00 0.00 0.00 31.44 31.88 1irg n GLU 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1irg n LYS 50 N -0.19 0.00 -0.93 3.44 5.02 -1.26 -4.80 118.16 119.44 1irg n LYS 50 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1irg n LYS 50 Cb 0.07 -1.59 0.39 0.00 -0.02 0.00 0.00 35.03 33.88 1irg n LYS 50 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1irg n ASP 51 N 0.00 5.59 -0.76 4.39 8.00 -1.26 -4.43 116.55 128.08 1irg n ASP 51 Ca 0.00 -3.00 0.09 0.00 0.71 0.00 0.00 54.79 52.60 1irg n ASP 51 Cb 0.00 -0.70 0.28 0.00 -0.02 0.00 0.00 41.12 40.68 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1irg n ALA 52 N 0.47 2.47 0.33 2.24 0.00 -1.26 -4.19 120.51 120.56 1irg n ALA 52 Ca 0.30 -0.70 0.13 0.00 0.00 0.00 0.00 53.44 53.17 1irg n ALA 52 Cb 1.24 -1.00 0.30 0.00 0.00 0.00 0.00 19.45 19.99 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 2.73 0.00 0.00 0.00 0.13 -1.98 -3.18 132.00 129.70 1irg h PRO 53 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1irg h PRO 53 Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1irg h PRO 53 CO 0.00 0.00 -1.32 1.28 -0.23 0.00 0.00 178.00 177.73 1irg n LEU 54 N -2.88 1.90 -0.43 1.56 4.32 -1.26 -4.04 117.00 116.17 1irg n LEU 54 Ca 0.04 0.43 0.38 0.00 -0.02 0.00 0.00 56.01 56.84 1irg n LEU 54 Cb 0.47 -0.84 0.59 0.00 -1.62 0.00 0.00 43.42 42.02 1irg n LEU 54 CO 0.32 -0.01 1.32 0.49 -1.22 0.00 0.00 177.39 178.29 1irg n PHE 55 N -4.44 0.00 -0.01 -1.77 3.01 -1.25 0.13 117.46 113.13 1irg n PHE 55 Ca -0.26 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.08 1irg n PHE 55 Cb 0.58 -0.36 -0.10 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.07 -1.13 -1.08 9.65 -1.70 -3.10 114.38 116.95 1irg h ARG 56 Ca 0.67 0.00 0.33 0.00 -1.10 0.00 0.00 59.98 59.89 1irg h ARG 56 Cb 3.22 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 31.77 1irg h ARG 56 CO -0.01 0.55 1.12 -2.95 2.80 0.00 0.00 179.97 181.48 1irg h ASN 57 N -0.79 0.00 0.00 -3.80 7.08 0.99 -3.04 115.58 116.02 1irg h ASN 57 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1irg h ASN 57 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 1irg h ASN 57 CO 0.01 0.00 0.00 0.79 -2.08 0.00 0.00 177.43 176.15 1irg n TRP 58 N -3.51 0.00 -0.46 4.14 5.03 -1.16 0.50 117.44 121.98 1irg n TRP 58 Ca 0.25 0.00 0.38 0.00 3.03 0.00 0.00 57.50 61.16 1irg n TRP 58 Cb 1.47 0.00 0.62 0.00 -1.03 0.00 0.00 31.31 32.37 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 -1.91 1.31 -1.00 6.99 0.00 -1.15 -1.61 120.51 123.13 1irg n ALA 59 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1irg n ALA 59 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.30 0.00 -0.09 0.00 2.08 0.31 -1.99 119.36 115.37 1irg n ILE 60 Ca 0.36 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.65 1irg n ILE 60 Cb 1.47 -0.29 -0.02 0.00 -0.75 0.00 0.00 39.64 40.05 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 -0.44 -0.98 1.39 -0.00 0.18 0.44 115.15 115.75 1irg h HIS 61 Ca 0.00 0.03 0.33 0.00 -0.00 0.00 0.00 60.37 60.73 1irg h HIS 61 Cb 0.00 0.22 -0.16 0.00 -0.00 0.00 0.00 27.41 27.47 1irg h HIS 61 CO 0.00 -0.09 0.40 1.79 -0.00 0.00 0.00 177.93 180.03 1irg h THR 62 N -0.01 0.15 0.00 6.26 1.35 -1.41 -3.44 112.91 115.80 1irg h THR 62 Ca 0.04 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1irg h THR 62 Cb 0.10 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1irg h THR 62 CO -0.21 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 1irg n GLY 63 N -1.33 0.79 0.08 5.82 0.00 0.16 -4.93 105.19 105.78 1irg n GLY 63 Ca 0.31 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.39 1.11 -3.84 1.61 5.02 -1.21 -4.85 118.16 113.61 1irg n LYS 64 Ca 0.00 -0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 1irg n LYS 64 Cb 0.00 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1irg n LYS 64 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1irg s HIS 65 N -1.98 0.01 -0.13 2.13 5.04 -0.84 -4.99 115.29 114.52 1irg s HIS 65 Ca 0.33 -0.38 -0.26 0.00 -1.54 0.00 0.00 55.06 53.20 1irg s HIS 65 Cb 0.15 0.40 0.06 0.00 0.04 0.00 0.00 32.58 33.24 1irg s HIS 65 CO 0.25 -1.01 0.64 -0.65 -2.34 0.00 0.00 174.74 171.64 1irg s GLN 66 N -3.93 0.90 -0.13 2.88 1.11 -1.26 -4.57 119.66 114.66 1irg s GLN 66 Ca 0.13 0.50 -0.29 0.00 0.01 0.00 0.00 55.36 55.71 1irg s GLN 66 Cb -0.02 0.43 -0.01 0.00 -1.01 0.00 0.00 33.01 32.39 1irg s GLN 66 CO 0.03 -0.21 1.12 -1.25 0.01 0.00 0.00 175.29 174.98 1irg s PRO 67 N -0.53 4.33 0.00 2.91 0.04 -1.26 -1.69 135.00 138.79 1irg s PRO 67 Ca -0.06 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1irg s PRO 67 Cb -0.02 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1irg s PRO 67 CO 0.06 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1irg n GLY 68 N 3.32 0.49 0.51 0.56 0.00 -1.26 -4.81 105.19 104.00 1irg n GLY 68 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.91 0.00 -4.31 -0.61 5.41 -1.16 -5.12 119.36 110.66 1irg n ILE 69 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 1irg n ILE 69 Cb 0.00 -0.18 -0.10 0.00 -0.71 0.00 0.00 39.64 38.65 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 -3.58 1.85 0.34 4.38 1.01 -0.68 -4.96 116.67 115.03 1irg s ASP 70 Ca 0.00 -1.17 -0.19 0.00 0.71 0.00 0.00 52.55 51.91 1irg s ASP 70 Cb 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 42.92 43.83 1irg s ASP 70 CO 0.00 -0.46 0.83 -1.59 0.21 0.00 0.00 175.17 174.15 1irg s LYS 71 N -3.83 4.17 -0.29 8.23 -2.85 -1.26 -4.59 119.74 119.32 1irg s LYS 71 Ca 0.26 0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 55.85 1irg s LYS 71 Cb 0.05 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 1irg s LYS 71 CO 0.07 0.14 1.21 -1.25 0.10 0.00 0.00 175.35 175.62 1irg s PRO 72 N -2.82 4.01 -0.33 1.78 0.04 -1.26 -4.88 135.00 131.54 1irg s PRO 72 Ca 0.55 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1irg s PRO 72 Cb -0.12 -3.81 0.09 0.00 0.04 0.00 0.00 34.50 30.71 1irg s PRO 72 CO 0.17 -0.98 0.04 0.34 0.04 0.00 0.00 177.00 176.61 1irg s ASP 73 N 2.27 4.78 0.02 6.66 -1.08 -1.26 -4.95 116.67 123.11 1irg s ASP 73 Ca 0.52 -1.98 -0.18 0.00 -0.52 0.00 0.00 52.55 50.40 1irg s ASP 73 Cb -0.16 -1.64 -0.27 0.00 -1.46 0.00 0.00 42.92 39.39 1irg s ASP 73 CO 0.19 -0.36 1.08 1.55 0.52 0.00 0.00 175.17 178.15 1irg h PRO 74 N 7.71 0.51 -0.78 4.34 0.13 -1.98 -2.39 132.00 139.53 1irg h PRO 74 Ca -0.08 -0.63 0.23 0.00 -0.87 0.00 0.00 66.00 64.64 1irg h PRO 74 Cb 1.03 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1irg h PRO 74 CO 0.53 1.25 0.58 0.87 -0.23 0.00 0.00 178.00 181.00 1irg h LYS 75 N 0.05 0.00 0.00 0.86 1.79 -2.01 0.20 116.57 117.46 1irg h LYS 75 Ca -0.13 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.04 1irg h LYS 75 Cb 1.63 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.23 1irg h LYS 75 CO 0.18 0.00 -1.75 2.41 -1.08 0.00 0.00 179.45 179.20 1irg n THR 76 N -4.24 1.61 -0.25 -0.16 -1.04 -1.21 -3.61 114.28 105.37 1irg n THR 76 Ca 0.16 -0.79 0.06 0.00 -2.04 0.00 0.00 64.05 61.43 1irg n THR 76 Cb 0.87 -1.04 0.30 0.00 -1.82 0.00 0.00 70.33 68.64 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 0.00 0.90 0.00 -1.42 6.55 -0.08 0.62 115.95 122.53 1irg h TRP 77 Ca -0.30 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1irg h TRP 77 Cb 2.03 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 30.03 1irg h TRP 77 CO 0.00 0.46 -0.13 -0.22 -1.05 0.00 0.00 178.44 177.50 1irg h LYS 78 N 0.88 0.00 0.00 0.49 3.64 -1.56 -3.21 116.57 116.80 1irg h LYS 78 Ca 0.37 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1irg h LYS 78 Cb 0.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1irg h LYS 78 CO -0.14 0.00 -0.66 0.00 -2.27 0.00 0.00 179.45 176.38 1irg h ALA 79 N 2.05 0.63 -0.00 5.00 0.00 -1.00 -3.14 119.26 122.79 1irg h ALA 79 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1irg h ALA 79 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1irg h ALA 79 CO 0.00 0.74 -0.04 0.09 0.00 0.00 0.00 179.25 180.04 1irg n ASN 80 N -3.21 0.36 -0.09 0.00 3.02 -0.36 -3.77 115.26 111.21 1irg n ASN 80 Ca 0.01 -0.72 -0.21 0.00 -0.03 0.00 0.00 54.58 53.62 1irg n ASN 80 Cb 0.77 -0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.74 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1irg n PHE 81 N -0.91 0.46 0.15 3.10 -0.00 -1.19 -4.17 117.46 114.91 1irg n PHE 81 Ca 0.18 0.12 0.16 0.00 -0.00 0.00 0.00 57.45 57.90 1irg n PHE 81 Cb 0.23 -1.06 0.74 0.00 -0.00 0.00 0.00 39.48 39.39 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 -0.21 0.00 -0.28 -4.13 1.12 -1.65 0.68 114.38 109.91 1irg h ARG 82 Ca -0.53 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.24 1irg h ARG 82 Cb 1.85 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.80 1irg h ARG 82 CO -0.10 0.00 -0.24 0.00 -3.11 0.00 0.00 179.97 176.53 1irg h ALA 84 N 1.27 2.74 0.12 0.00 0.00 -1.02 0.70 119.26 123.06 1irg h ALA 84 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 1irg h ALA 84 Cb 0.67 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1irg h ALA 84 CO 0.05 -1.12 -1.43 0.52 0.00 0.00 0.00 179.25 177.27 1irg h MET 85 N 0.00 0.25 0.00 0.00 2.86 -1.51 -3.16 114.93 113.36 1irg h MET 85 Ca 0.40 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1irg h MET 85 Cb 1.77 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.59 1irg h MET 85 CO -0.00 1.14 0.00 0.09 1.06 0.00 0.00 176.91 179.19 1irg n ASN 86 N -3.47 0.00 -0.93 1.22 3.02 0.22 -4.79 115.26 110.53 1irg n ASN 86 Ca -0.14 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 1irg n ASN 86 Cb 1.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 -0.72 0.31 -1.49 6.41 2.88 0.05 -4.91 113.62 116.15 1irg n SER 87 Ca 0.10 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1irg n SER 87 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.49 -0.86 2.46 4.32 -1.26 -4.61 117.00 115.55 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 -1.28 0.27 -0.81 -1.22 0.00 0.00 177.39 174.35 1irg n PRO 89 N 1.84 0.61 0.00 3.23 -0.04 -1.26 -2.48 135.00 136.90 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 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.56 0.51 -4.73 3.54 5.75 -1.26 -5.02 116.55 115.90 1irg n ASP 90 Ca 0.00 -1.01 -0.41 0.00 -0.01 0.00 0.00 54.79 53.37 1irg n ASP 90 Cb 0.27 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1irg s ILE 91 N -0.01 4.59 -0.34 2.12 -4.36 -1.04 -1.40 121.20 120.77 1irg s ILE 91 Ca 0.00 1.93 0.03 0.00 -0.26 0.00 0.00 60.65 62.35 1irg s ILE 91 Cb 0.00 -4.25 0.10 0.00 1.25 0.00 0.00 42.46 39.55 1irg s ILE 91 CO 0.00 0.33 0.04 -0.70 0.24 0.00 0.00 174.94 174.85 1irg s GLU 92 N 0.01 1.59 0.22 0.37 -6.30 0.89 -4.80 118.70 110.68 1irg s GLU 92 Ca 0.44 -1.82 -0.30 0.00 -2.50 0.00 0.00 54.97 50.79 1irg s GLU 92 Cb -0.22 -3.20 -0.09 0.00 0.00 0.00 0.00 34.13 30.62 1irg s GLU 92 CO 0.27 -0.91 1.28 -1.83 0.02 0.00 0.00 175.26 174.10 1irg s GLU 93 N 0.94 4.41 -0.34 4.30 -1.05 -1.26 -1.02 118.70 124.69 1irg s GLU 93 Ca 0.09 2.03 -0.00 0.00 -0.15 0.00 0.00 54.97 56.94 1irg s GLU 93 Cb -0.19 -3.18 0.14 0.00 -0.44 0.00 0.00 34.13 30.45 1irg s GLU 93 CO -0.07 -0.19 0.25 0.08 0.95 0.00 0.00 175.26 176.27 1irg s VAL 94 N -0.15 -0.11 -0.40 1.83 1.01 0.19 -4.91 120.40 117.86 1irg s VAL 94 Ca 0.54 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1irg s VAL 94 Cb -0.36 -0.95 0.36 0.00 0.00 0.00 0.00 36.38 35.43 1irg s VAL 94 CO 0.40 -0.76 1.30 2.29 0.00 0.00 0.00 175.10 178.33 1irg n LYS 95 N 4.51 2.20 -1.16 2.72 2.85 -1.26 -1.34 118.16 126.68 1irg n LYS 95 Ca 0.06 -1.51 0.16 0.00 -1.05 0.00 0.00 58.31 55.97 1irg n LYS 95 Cb 0.41 -1.71 -0.04 0.00 -0.65 0.00 0.00 35.03 33.04 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 -0.03 -6.88 0.00 -5.58 8.00 -1.26 -4.77 116.55 106.03 1irg n ASP 96 Ca 0.22 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1irg n ASP 96 Cb 0.92 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1irg n ASP 96 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1irg n ARG 97 N -3.51 0.00 -2.69 -1.24 3.00 -1.26 -4.99 116.66 105.97 1irg n ARG 97 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.78 1irg n ARG 97 Cb 0.63 -0.07 0.08 0.00 0.00 0.00 0.00 32.46 33.11 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 -2.28 -0.30 0.00 6.15 7.64 -1.26 -5.00 113.62 118.57 1irg n SER 98 Ca 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1irg n SER 98 Cb 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.39 0.00 -2.81 0.44 -0.00 -1.26 -4.98 119.36 110.36 1irg n ILE 99 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.34 1irg n ILE 99 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.48 1irg n ILE 99 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1irg n LYS 100 N -2.27 3.46 -2.36 0.38 5.02 -1.26 -4.69 118.16 116.44 1irg n LYS 100 Ca 0.00 -3.80 -0.16 0.00 -2.02 0.00 0.00 58.31 52.33 1irg n LYS 100 Cb 0.00 -2.99 0.03 0.00 -0.02 0.00 0.00 35.03 32.05 1irg n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1irg n LYS 101 N 5.03 2.85 -0.04 1.97 5.02 -1.26 -4.65 118.16 127.09 1irg n LYS 101 Ca 0.37 -3.94 -0.03 0.00 -2.02 0.00 0.00 58.31 52.69 1irg n LYS 101 Cb 0.41 -2.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1irg n LYS 101 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1irg h GLY 102 N 2.41 -1.80 -3.94 0.72 0.00 -2.04 -3.43 103.07 94.99 1irg h GLY 102 Ca 0.17 0.84 -0.05 0.00 0.00 0.00 0.00 47.33 48.29 1irg h GLY 102 CO 0.57 -0.63 0.01 -2.01 0.00 0.00 0.00 176.54 174.49 1irg n ASN 103 N -3.31 -0.60 0.00 0.19 4.05 -1.26 -5.02 115.26 109.31 1irg n ASN 103 Ca -0.01 -1.40 0.00 0.00 0.45 0.00 0.00 54.58 53.62 1irg n ASN 103 Cb 0.07 0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.51 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1irg n ASN 104 N -0.39 0.00 -2.70 1.20 3.02 -1.26 -5.12 115.26 110.01 1irg n ASN 104 Ca -0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.41 1irg n ASN 104 Cb 0.61 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.97 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 -2.39 -3.48 -3.12 5.41 0.00 -1.26 -4.86 120.51 110.81 1irg n ALA 105 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 53.44 54.75 1irg n ALA 105 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.82 1irg n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1irg n PHE 106 N 1.22 -2.62 -4.01 0.00 3.72 -1.26 -4.80 117.46 109.70 1irg n PHE 106 Ca -0.19 -0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 56.76 1irg n PHE 106 Cb 0.31 -0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.66 1irg n PHE 106 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1irg s ARG 107 N -2.16 1.55 -0.52 -1.08 3.52 -0.24 -4.23 118.95 115.78 1irg s ARG 107 Ca 0.03 -1.97 -0.27 0.00 -0.13 0.00 0.00 55.73 53.39 1irg s ARG 107 Cb -0.00 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1irg s ARG 107 CO 0.02 -0.96 1.09 0.08 -0.81 0.00 0.00 175.30 174.72 1irg s VAL 108 N 0.76 4.21 -0.18 7.11 1.01 -0.45 -1.82 120.40 131.03 1irg s VAL 108 Ca 0.12 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 1irg s VAL 108 Cb -0.20 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 1irg s VAL 108 CO -0.07 -1.12 0.20 -0.31 0.00 0.00 0.00 175.10 173.80 1irg s TYR 109 N 4.45 3.44 -0.27 5.22 2.02 0.02 0.53 117.35 132.75 1irg s TYR 109 Ca 0.42 0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 57.51 1irg s TYR 109 Cb -0.08 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 1irg s TYR 109 CO 0.27 0.28 0.03 0.50 -1.57 0.00 0.00 175.55 175.06 1irg s ARG 110 N 0.38 3.07 -0.52 -0.62 3.52 -0.19 -0.76 118.95 123.84 1irg s ARG 110 Ca 0.12 -0.85 -0.18 0.00 -0.13 0.00 0.00 55.73 54.68 1irg s ARG 110 Cb -0.12 -3.24 0.07 0.00 -1.56 0.00 0.00 34.95 30.10 1irg s ARG 110 CO 0.01 -0.40 0.60 -1.64 -0.81 0.00 0.00 175.30 173.06 1irg s MET 111 N 1.46 3.08 0.41 5.12 -1.94 -0.02 -0.07 119.30 127.34 1irg s MET 111 Ca 0.02 -1.06 -0.25 0.00 -1.71 0.00 0.00 55.69 52.69 1irg s MET 111 Cb -0.17 -4.14 -0.08 0.00 2.01 0.00 0.00 34.83 32.45 1irg s MET 111 CO 0.00 -1.25 1.18 -0.51 -0.01 0.00 0.00 175.02 174.42 1irg s LEU 112 N 2.46 4.16 0.00 -0.03 1.43 -0.49 -4.53 118.68 121.68 1irg s LEU 112 Ca 0.12 2.36 0.27 0.00 -1.03 0.00 0.00 54.13 55.85 1irg s LEU 112 Cb -0.21 -4.05 1.62 0.00 0.03 0.00 0.00 46.19 43.58 1irg s LEU 112 CO 0.10 -0.72 1.97 -0.81 0.23 0.00 0.00 176.35 177.11