#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 2.70 -0.44 0.52 1.01 -1.26 -5.06 120.40 117.87 1irg s VAL 3 Ca 0.00 -2.92 -0.20 0.00 0.00 0.00 0.00 61.98 58.87 1irg s VAL 3 Cb 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1irg s VAL 3 CO 0.00 -0.75 0.58 -0.70 0.00 0.00 0.00 175.10 174.24 1irg s GLU 4 N 0.17 3.20 -0.19 2.72 2.12 -1.26 -4.66 118.70 120.80 1irg s GLU 4 Ca 0.15 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 1irg s GLU 4 Cb -0.23 -3.98 0.01 0.00 0.26 0.00 0.00 34.13 30.19 1irg s GLU 4 CO -0.03 -1.00 0.03 0.54 -0.54 0.00 0.00 175.26 174.26 1irg n ARG 5 N 6.07 -2.61 -2.31 4.30 5.12 -1.26 -4.99 116.66 120.98 1irg n ARG 5 Ca -0.04 2.23 -0.26 0.00 -1.93 0.00 0.00 57.85 57.85 1irg n ARG 5 Cb 0.47 -3.86 0.14 0.00 -1.16 0.00 0.00 32.46 28.05 1irg n ARG 5 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1irg s MET 6 N -1.25 1.20 0.19 5.56 0.23 -1.26 -5.11 119.30 118.85 1irg s MET 6 Ca -0.03 -0.83 -0.23 0.00 -1.03 0.00 0.00 55.69 53.56 1irg s MET 6 Cb 0.00 -2.12 0.05 0.00 -1.53 0.00 0.00 34.83 31.24 1irg s MET 6 CO 0.52 -1.89 0.73 0.50 -2.03 0.00 0.00 175.02 172.85 1irg s ARG 7 N -5.47 1.42 0.13 3.16 6.06 -1.26 -5.05 118.95 117.94 1irg s ARG 7 Ca 0.70 -0.69 -0.16 0.00 -2.50 0.00 0.00 55.73 53.09 1irg s ARG 7 Cb -0.04 0.55 -0.01 0.00 0.06 0.00 0.00 34.95 35.51 1irg s ARG 7 CO 0.48 -0.64 1.67 1.98 -2.50 0.00 0.00 175.30 176.30 1irg h MET 8 N 2.00 0.60 -0.41 5.12 1.85 -1.99 -1.08 114.93 121.01 1irg h MET 8 Ca -0.25 -0.11 0.06 0.00 -0.61 0.00 0.00 59.70 58.78 1irg h MET 8 Cb 1.27 -0.10 -0.09 0.00 0.43 0.00 0.00 31.60 33.12 1irg h MET 8 CO 0.29 0.57 -0.50 0.00 -0.40 0.00 0.00 176.91 176.87 1irg h ARG 9 N 0.50 -0.35 -0.08 0.39 3.08 -1.97 -0.87 114.38 115.08 1irg h ARG 9 Ca 0.13 0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1irg h ARG 9 Cb 0.20 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1irg h ARG 9 CO -0.01 -0.24 -0.43 -1.00 -1.07 0.00 0.00 179.97 177.22 1irg h PRO 10 N -0.37 0.18 -0.02 0.04 0.13 -1.97 -1.42 132.00 128.57 1irg h PRO 10 Ca 0.10 -0.09 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1irg h PRO 10 Cb 0.59 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1irg h PRO 10 CO -0.59 0.59 -0.07 2.35 -0.23 0.00 0.00 178.00 180.04 1irg h TRP 11 N 0.15 -0.18 -0.24 1.56 7.01 0.14 -0.01 115.95 124.38 1irg h TRP 11 Ca 0.01 0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.88 1irg h TRP 11 Cb 0.83 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1irg h TRP 11 CO 0.01 -0.11 -0.43 1.25 -2.79 0.00 0.00 178.44 176.37 1irg h LEU 12 N -0.11 0.63 -1.91 0.65 5.85 -1.22 -1.86 115.31 117.34 1irg h LEU 12 Ca 0.04 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1irg h LEU 12 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1irg h LEU 12 CO -0.09 0.98 0.23 -0.08 -0.34 0.00 0.00 178.44 179.14 1irg h GLU 13 N 0.48 0.11 0.00 1.25 4.81 -0.57 -0.78 114.58 119.88 1irg h GLU 13 Ca 0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1irg h GLU 13 Cb 0.94 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1irg h GLU 13 CO 0.08 0.07 -0.10 1.49 -0.73 0.00 0.00 179.01 179.83 1irg h GLU 14 N 0.11 0.00 -0.92 1.92 4.81 -0.51 -1.42 114.58 118.57 1irg h GLU 14 Ca 0.16 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.61 1irg h GLU 14 Cb 0.47 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1irg h GLU 14 CO -0.02 0.61 0.62 1.96 -0.73 0.00 0.00 179.01 181.46 1irg h GLN 15 N -1.00 0.26 0.00 1.92 1.08 -1.06 -0.24 115.11 116.07 1irg h GLN 15 Ca -0.02 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1irg h GLN 15 Cb 0.65 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1irg h GLN 15 CO -0.01 0.17 -0.00 0.82 -0.95 0.00 0.00 178.83 178.86 1irg h ILE 16 N 0.27 0.41 -0.66 2.54 2.04 -1.23 -0.82 117.51 120.07 1irg h ILE 16 Ca 0.47 -1.31 0.19 0.00 1.00 0.00 0.00 64.86 65.22 1irg h ILE 16 Cb 1.39 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1irg h ILE 16 CO -0.14 0.14 0.71 0.78 0.00 0.00 0.00 178.15 179.64 1irg h ASN 17 N -1.00 0.00 0.13 1.72 2.35 -0.76 0.15 115.58 118.17 1irg h ASN 17 Ca -0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1irg h ASN 17 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1irg h ASN 17 CO 0.00 0.00 -2.00 -0.24 -1.65 0.00 0.00 177.43 173.54 1irg n SER 18 N -3.60 2.13 -1.52 5.81 2.88 -0.15 -5.05 113.62 114.12 1irg n SER 18 Ca 0.13 0.21 -0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1irg n SER 18 Cb 0.94 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1irg n SER 18 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1irg n ASN 19 N -3.48 -2.10 -0.10 -3.46 5.15 0.51 -5.01 115.26 106.77 1irg n ASN 19 Ca -0.32 0.02 0.02 0.00 -0.60 0.00 0.00 54.58 53.70 1irg n ASN 19 Cb 1.05 -1.07 0.01 0.00 -0.53 0.00 0.00 39.78 39.23 1irg n ASN 19 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1irg n THR 20 N -0.19 0.00 -4.42 -0.44 -1.04 -1.21 -4.99 114.28 101.98 1irg n THR 20 Ca 0.00 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.05 61.32 1irg n THR 20 Cb 0.00 1.05 -0.15 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.53 0.82 -1.19 12.58 -1.09 -1.26 -5.05 121.20 125.48 1irg s ILE 21 Ca 0.03 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 1irg s ILE 21 Cb 0.03 -0.72 -0.03 0.00 -1.58 0.00 0.00 42.46 40.16 1irg s ILE 21 CO 0.06 0.25 1.93 -0.81 -1.23 0.00 0.00 174.94 175.14 1irg n PRO 22 N 3.23 2.32 0.00 2.79 -0.04 -1.26 -2.45 135.00 139.59 1irg n PRO 22 Ca -0.18 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 1irg n PRO 22 Cb 0.54 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.08 0.32 3.29 0.55 0.00 -1.26 -4.95 105.19 108.22 1irg n GLY 23 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 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 2.73 0.00 0.99 2.96 -1.03 -2.56 118.68 121.77 1irg s LEU 24 Ca 0.00 -0.42 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 1irg s LEU 24 Cb 0.00 -1.67 0.09 0.00 0.50 0.00 0.00 46.19 45.11 1irg s LEU 24 CO 0.00 0.02 1.17 2.29 -1.32 0.00 0.00 176.35 178.52 1irg n LYS 25 N 4.49 0.35 -2.88 1.98 -0.00 -0.42 -4.43 118.16 117.24 1irg n LYS 25 Ca -0.19 -1.02 -0.43 0.00 -0.00 0.00 0.00 58.31 56.68 1irg n LYS 25 Cb 0.51 1.52 -0.04 0.00 -0.00 0.00 0.00 35.03 37.02 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 -2.08 2.77 0.55 5.58 0.52 -1.26 -0.79 118.94 124.23 1irg s TRP 26 Ca 0.27 -0.29 0.22 0.00 0.02 0.00 0.00 56.10 56.32 1irg s TRP 26 Cb -0.02 -4.10 1.48 0.00 -1.15 0.00 0.00 33.47 29.68 1irg s TRP 26 CO 0.02 -1.44 2.15 -0.07 0.02 0.00 0.00 176.95 177.63 1irg h LEU 27 N 10.99 0.00 -5.11 2.99 3.38 -0.29 -3.33 115.31 123.94 1irg h LEU 27 Ca -0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 1irg h LEU 27 Cb 1.07 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1irg h LEU 27 CO 1.11 0.00 -0.49 0.20 0.09 0.00 0.00 178.44 179.36 1irg s ASN 28 N -6.55 -1.46 0.62 -0.43 0.01 -1.01 -4.98 114.94 101.14 1irg s ASN 28 Ca -0.05 -1.64 0.38 0.00 -0.71 0.00 0.00 52.86 50.84 1irg s ASN 28 Cb 0.17 1.91 2.07 0.00 0.41 0.00 0.00 41.25 45.80 1irg s ASN 28 CO 0.63 -0.06 2.28 0.50 -1.51 0.00 0.00 177.10 178.93 1irg h LYS 29 N 5.22 0.00 -0.59 -0.60 1.63 -1.76 0.27 116.57 120.74 1irg h LYS 29 Ca 0.06 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1irg h LYS 29 Cb 1.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 1irg h LYS 29 CO 0.02 0.01 0.17 1.49 -3.45 0.00 0.00 179.45 177.70 1irg h GLU 30 N 0.00 0.90 -0.03 1.90 4.81 -1.93 -2.16 114.58 118.06 1irg h GLU 30 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1irg h GLU 30 Cb 0.08 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1irg h GLU 30 CO 0.00 0.78 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 1irg n LYS 31 N -4.28 2.04 -2.41 1.92 4.76 -0.14 -4.99 118.16 115.07 1irg n LYS 31 Ca 0.05 -1.81 -0.06 0.00 -2.87 0.00 0.00 58.31 53.61 1irg n LYS 31 Cb 0.21 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.23 -1.94 -4.35 1.97 5.02 0.78 -4.35 118.16 116.53 1irg n LYS 32 Ca 0.13 0.32 -0.32 0.00 -2.02 0.00 0.00 58.31 56.43 1irg n LYS 32 Cb 0.55 -3.56 -0.16 0.00 -0.02 0.00 0.00 35.03 31.84 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 -3.14 1.87 -0.06 -0.18 1.09 -0.56 -0.34 121.20 119.88 1irg s ILE 33 Ca 0.06 -0.84 0.03 0.00 -1.10 0.00 0.00 60.65 58.79 1irg s ILE 33 Cb -0.01 -1.69 0.01 0.00 -1.06 0.00 0.00 42.46 39.71 1irg s ILE 33 CO 0.28 0.51 -0.13 0.72 -0.10 0.00 0.00 174.94 176.22 1irg s PHE 34 N 1.12 1.48 0.12 3.97 -0.12 -0.40 0.51 117.98 124.64 1irg s PHE 34 Ca -0.01 -0.53 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1irg s PHE 34 Cb -0.14 -1.07 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 1irg s PHE 34 CO -0.07 -0.26 0.15 1.14 -0.05 0.00 0.00 175.22 176.13 1irg s GLN 35 N 0.57 3.06 0.09 1.99 -2.07 0.03 -0.44 119.66 122.89 1irg s GLN 35 Ca -0.13 -0.70 0.07 0.00 -1.82 0.00 0.00 55.36 52.78 1irg s GLN 35 Cb -0.15 -2.79 -0.03 0.00 -1.09 0.00 0.00 33.01 28.95 1irg s GLN 35 CO 0.04 0.54 -0.18 0.42 -1.32 0.00 0.00 175.29 174.78 1irg s ILE 36 N -1.58 1.50 0.02 3.63 1.01 -0.65 -1.30 121.20 123.82 1irg s ILE 36 Ca 0.32 -1.47 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1irg s ILE 36 Cb -0.11 -1.39 -0.29 0.00 0.01 0.00 0.00 42.46 40.68 1irg s ILE 36 CO 0.24 -0.13 0.93 1.55 0.00 0.00 0.00 174.94 177.54 1irg h PRO 37 N 4.13 0.30 -4.61 2.79 0.13 -1.80 0.16 132.00 133.10 1irg h PRO 37 Ca -0.44 -0.51 -0.04 0.00 -0.87 0.00 0.00 66.00 64.14 1irg h PRO 37 Cb 1.18 0.19 0.04 0.00 0.13 0.00 0.00 31.00 32.54 1irg h PRO 37 CO 0.40 1.19 -0.15 0.91 -0.23 0.00 0.00 178.00 180.12 1irg n TRP 38 N -3.51 -1.92 -1.60 1.56 7.02 -1.26 -4.56 117.44 113.17 1irg n TRP 38 Ca -0.15 0.72 0.00 0.00 -1.02 0.00 0.00 57.50 57.05 1irg n TRP 38 Cb 1.05 -3.35 0.00 0.00 -2.42 0.00 0.00 31.31 26.59 1irg n TRP 38 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1irg n MET 39 N -1.82 0.00 0.00 -0.99 2.81 -1.26 -4.73 117.12 111.12 1irg n MET 39 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1irg n MET 39 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 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 14.00 0.00 0.00 2.03 -0.00 -1.26 -4.91 115.22 125.08 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 -1.44 1.57 0.00 -1.26 -4.88 120.51 114.51 1irg n ALA 41 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1irg n ALA 41 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.00 0.35 0.18 0.00 0.00 -1.26 -4.69 120.51 115.09 1irg n ALA 42 Ca 0.00 -0.20 0.18 0.00 0.00 0.00 0.00 53.44 53.43 1irg n ALA 42 Cb 0.00 -2.31 0.79 0.00 0.00 0.00 0.00 19.45 17.93 1irg n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg h ARG 43 N 11.82 0.00 0.00 0.00 2.47 -1.98 -3.40 114.38 123.29 1irg h ARG 43 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1irg h ARG 43 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1irg h ARG 43 CO 1.28 0.00 0.00 0.72 0.56 0.00 0.00 179.97 182.53 1irg n HIS 44 N -3.49 -0.03 -3.28 3.04 8.25 -1.26 -5.09 115.22 113.36 1irg n HIS 44 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.43 1irg n HIS 44 Cb 0.49 0.50 -0.04 0.00 1.12 0.00 0.00 29.99 32.06 1irg n HIS 44 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1irg s GLY 45 N -3.96 -0.71 0.00 -1.41 0.00 -1.26 -4.94 107.32 95.04 1irg s GLY 45 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1irg s GLY 45 CO 0.00 3.25 0.61 -2.67 0.00 0.00 0.00 173.10 174.28 1irg n TRP 46 N 4.43 0.00 0.00 1.90 2.14 -1.26 -4.95 117.44 119.70 1irg n TRP 46 Ca 0.10 -0.29 0.00 0.00 2.07 0.00 0.00 57.50 59.38 1irg n TRP 46 Cb 0.51 0.39 0.00 0.00 -0.81 0.00 0.00 31.31 31.41 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 0.00 0.00 -3.35 -0.67 2.03 -1.26 -4.82 116.55 108.48 1irg n ASP 47 Ca -0.16 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.84 1irg n ASP 47 Cb 0.52 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 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 3.44 0.58 5.18 0.31 -1.26 -4.28 118.33 122.30 1irg n VAL 48 Ca 0.00 -5.54 0.13 0.00 -0.01 0.00 0.00 64.34 58.92 1irg n VAL 48 Cb 0.00 -1.78 0.30 0.00 -0.91 0.00 0.00 33.84 31.45 1irg n VAL 48 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1irg h GLU 49 N 3.91 0.00 0.02 5.55 4.81 -1.97 -2.07 114.58 124.82 1irg h GLU 49 Ca 0.21 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.08 1irg h GLU 49 Cb 0.56 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 1irg h GLU 49 CO 0.93 0.00 -2.24 1.63 -0.73 0.00 0.00 179.01 178.60 1irg n LYS 50 N -2.25 0.68 -0.09 1.92 4.01 -1.26 -4.24 118.16 116.92 1irg n LYS 50 Ca 0.05 0.15 0.12 0.00 -0.51 0.00 0.00 58.31 58.11 1irg n LYS 50 Cb 0.44 -1.60 0.26 0.00 -0.51 0.00 0.00 35.03 33.62 1irg n LYS 50 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1irg n ASP 51 N -3.13 2.71 0.08 4.39 2.03 -1.25 -4.18 116.55 117.21 1irg n ASP 51 Ca -0.35 -1.88 0.12 0.00 0.52 0.00 0.00 54.79 53.20 1irg n ASP 51 Cb 1.06 -0.12 0.04 0.00 -0.72 0.00 0.00 41.12 41.38 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1irg n ALA 52 N 1.04 2.76 0.25 -1.67 0.00 -0.78 -2.62 120.51 119.50 1irg n ALA 52 Ca 0.17 -0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1irg n ALA 52 Cb 0.51 -1.09 0.50 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 0.00 0.00 0.13 -1.77 -2.13 132.00 128.22 1irg h PRO 53 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 1irg h PRO 53 Cb 0.90 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 1irg h PRO 53 CO 0.00 0.05 -1.76 1.28 -0.23 0.00 0.00 178.00 177.33 1irg n LEU 54 N -3.14 1.93 -0.30 1.56 4.32 -1.25 -3.94 117.00 116.18 1irg n LEU 54 Ca 0.01 0.38 0.34 0.00 -0.02 0.00 0.00 56.01 56.72 1irg n LEU 54 Cb 0.40 -0.83 0.62 0.00 -1.62 0.00 0.00 43.42 41.99 1irg n LEU 54 CO 0.30 0.21 1.31 -0.26 -1.22 0.00 0.00 177.39 177.74 1irg h PHE 55 N -1.00 0.00 0.02 -1.77 0.04 -1.55 0.94 116.94 113.62 1irg h PHE 55 Ca -0.40 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.25 1irg h PHE 55 Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 1irg h PHE 55 CO -0.17 0.00 -0.47 -0.09 -0.60 0.00 0.00 178.31 176.99 1irg h ARG 56 N 0.00 0.28 -0.21 1.51 1.12 -1.54 -3.02 114.38 112.52 1irg h ARG 56 Ca 0.56 -0.33 0.06 0.00 -1.11 0.00 0.00 59.98 59.16 1irg h ARG 56 Cb 2.76 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 32.81 1irg h ARG 56 CO -0.01 1.05 0.69 -2.95 -3.11 0.00 0.00 179.97 175.64 1irg h ASN 57 N -0.34 0.00 -1.33 -3.80 7.08 0.80 -3.40 115.58 114.59 1irg h ASN 57 Ca -0.06 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.05 1irg h ASN 57 Cb 1.23 0.00 0.06 0.00 -2.08 0.00 0.00 38.32 37.53 1irg h ASN 57 CO 0.09 0.00 -0.05 0.79 -2.08 0.00 0.00 177.43 176.18 1irg n TRP 58 N -2.94 -1.90 0.00 4.14 5.03 -1.14 -0.87 117.44 119.75 1irg n TRP 58 Ca 0.04 -0.06 0.00 0.00 3.03 0.00 0.00 57.50 60.51 1irg n TRP 58 Cb 0.78 -0.71 0.00 0.00 -1.03 0.00 0.00 31.31 30.35 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 -3.17 0.00 -0.06 6.99 0.00 -1.26 -3.39 120.51 119.62 1irg n ALA 59 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1irg n ALA 59 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1irg n ALA 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1irg n ILE 60 N 0.00 0.00 0.20 0.00 -0.00 -1.23 -0.42 119.36 117.90 1irg n ILE 60 Ca 0.00 1.47 -0.15 0.00 -0.00 0.00 0.00 62.75 64.07 1irg n ILE 60 Cb 0.00 -2.04 -0.08 0.00 -0.00 0.00 0.00 39.64 37.53 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 -1.03 -0.36 1.39 2.76 -1.02 -0.38 115.15 116.52 1irg h HIS 61 Ca 0.00 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1irg h HIS 61 Cb 0.00 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1irg h HIS 61 CO -0.75 -0.51 0.74 1.79 -1.30 0.00 0.00 177.93 177.90 1irg h THR 62 N -0.72 0.09 -3.11 6.26 1.35 -1.58 -3.44 112.91 111.76 1irg h THR 62 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1irg h THR 62 Cb 0.68 0.34 0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1irg h THR 62 CO -0.11 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.74 1irg n GLY 63 N -1.48 0.59 2.03 5.82 0.00 0.43 -4.96 105.19 107.63 1irg n GLY 63 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.47 0.00 -4.06 1.61 5.02 -0.93 -5.04 118.16 113.29 1irg n LYS 64 Ca -0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1irg n LYS 64 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.48 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 -2.00 3.24 -0.03 2.13 5.04 -1.24 -5.00 115.29 117.43 1irg s HIS 65 Ca 0.00 -0.06 -0.05 0.00 -1.54 0.00 0.00 55.06 53.41 1irg s HIS 65 Cb 0.00 -1.48 0.01 0.00 0.04 0.00 0.00 32.58 31.15 1irg s HIS 65 CO 0.00 0.50 0.12 -0.65 -2.34 0.00 0.00 174.74 172.36 1irg s GLN 66 N -3.77 0.23 -0.24 2.88 1.11 -1.26 -3.50 119.66 115.10 1irg s GLN 66 Ca 0.33 -0.01 -0.29 0.00 0.01 0.00 0.00 55.36 55.40 1irg s GLN 66 Cb -0.09 0.10 0.00 0.00 -1.01 0.00 0.00 33.01 32.02 1irg s GLN 66 CO 0.26 -0.04 1.15 -1.25 0.01 0.00 0.00 175.29 175.42 1irg s PRO 67 N -0.36 4.16 0.00 2.91 0.04 -1.26 -1.54 135.00 138.94 1irg s PRO 67 Ca -0.04 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1irg s PRO 67 Cb -0.03 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1irg s PRO 67 CO 0.00 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1irg n GLY 68 N 3.68 2.91 0.06 0.56 0.00 -1.26 -4.78 105.19 106.35 1irg n GLY 68 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.30 0.77 -3.66 -0.61 5.41 -1.19 -5.01 119.36 114.77 1irg n ILE 69 Ca 0.00 -0.70 -0.10 0.00 1.00 0.00 0.00 62.75 62.95 1irg n ILE 69 Cb 0.00 -0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 38.63 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 -5.05 -0.21 0.38 4.38 1.01 -0.59 -4.96 116.67 111.64 1irg s ASP 70 Ca -0.09 -0.35 -0.24 0.00 0.71 0.00 0.00 52.55 52.58 1irg s ASP 70 Cb 0.09 0.47 -0.10 0.00 1.01 0.00 0.00 42.92 44.39 1irg s ASP 70 CO 0.86 -0.85 0.97 -0.54 0.21 0.00 0.00 175.17 175.82 1irg s LYS 71 N -3.81 4.35 0.25 8.23 1.02 -1.26 -4.45 119.74 124.06 1irg s LYS 71 Ca 0.03 1.29 -0.30 0.00 0.02 0.00 0.00 55.97 57.02 1irg s LYS 71 Cb 0.02 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1irg s LYS 71 CO -0.12 0.06 1.01 -1.25 -0.92 0.00 0.00 175.35 174.14 1irg s PRO 72 N -2.57 4.76 -0.24 -1.68 0.04 -1.26 -4.85 135.00 129.20 1irg s PRO 72 Ca 0.56 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 1irg s PRO 72 Cb -0.16 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.21 1irg s PRO 72 CO 0.21 0.37 0.03 -0.51 0.04 0.00 0.00 177.00 177.13 1irg s ASP 73 N -0.97 3.50 0.00 6.66 1.01 -1.26 -4.96 116.67 120.64 1irg s ASP 73 Ca 0.43 -1.16 0.20 0.00 0.71 0.00 0.00 52.55 52.73 1irg s ASP 73 Cb -0.28 -0.84 1.21 0.00 1.01 0.00 0.00 42.92 44.02 1irg s ASP 73 CO 0.36 -0.32 1.71 -0.81 0.21 0.00 0.00 175.17 176.32 1irg n PRO 74 N 4.88 0.88 0.01 8.23 -0.04 -1.26 -3.61 135.00 144.09 1irg n PRO 74 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1irg n PRO 74 Cb 0.45 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.14 -0.02 0.54 1.79 -2.02 -3.24 116.57 113.49 1irg h LYS 75 Ca 0.00 0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 1irg h LYS 75 Cb 0.00 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1irg h LYS 75 CO 0.00 0.09 -0.47 1.15 -1.08 0.00 0.00 179.45 179.14 1irg h THR 76 N -1.01 1.34 -0.21 -0.16 2.02 -2.02 -3.15 112.91 109.72 1irg h THR 76 Ca -0.01 -1.64 0.05 0.00 0.77 0.00 0.00 66.41 65.58 1irg h THR 76 Cb 0.30 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 1irg h THR 76 CO 0.02 0.47 -0.15 -0.50 0.37 0.00 0.00 175.52 175.73 1irg h TRP 77 N 0.03 -0.39 -0.76 3.16 6.55 -1.68 -1.14 115.95 121.73 1irg h TRP 77 Ca -0.00 0.03 0.14 0.00 0.95 0.00 0.00 58.89 60.00 1irg h TRP 77 Cb 0.85 0.20 -0.09 0.00 -0.86 0.00 0.00 29.16 29.27 1irg h TRP 77 CO 0.00 -0.22 0.33 -0.22 -1.05 0.00 0.00 178.44 177.28 1irg h LYS 78 N -0.15 0.48 -0.11 0.49 3.64 -1.57 -2.34 116.57 117.00 1irg h LYS 78 Ca 0.12 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1irg h LYS 78 Cb 0.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1irg h LYS 78 CO -0.30 0.31 -0.14 0.00 -2.27 0.00 0.00 179.45 177.06 1irg h ALA 79 N 1.53 -0.38 -2.02 5.00 0.00 -1.28 -3.33 119.26 118.77 1irg h ALA 79 Ca 0.41 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.84 1irg h ALA 79 Cb 0.59 0.84 0.22 0.00 0.00 0.00 0.00 17.79 19.44 1irg h ALA 79 CO -0.38 -0.45 -0.50 0.09 0.00 0.00 0.00 179.25 178.02 1irg n ASN 80 N -3.37 -1.72 0.00 0.00 4.13 -0.88 -2.33 115.26 111.09 1irg n ASN 80 Ca -0.01 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1irg n ASN 80 Cb 0.08 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.14 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1irg n PHE 81 N -4.25 0.00 -0.16 3.10 -0.00 -1.26 -4.61 117.46 110.28 1irg n PHE 81 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.39 1irg n PHE 81 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.04 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 0.00 0.94 0.07 -4.13 1.12 -1.57 -2.82 114.38 107.99 1irg h ARG 82 Ca 0.00 -0.39 -0.30 0.00 -1.11 0.00 0.00 59.98 58.18 1irg h ARG 82 Cb 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 29.90 1irg h ARG 82 CO 0.00 1.05 -1.64 0.00 -3.11 0.00 0.00 179.97 176.27 1irg h ALA 84 N 0.63 2.31 0.00 0.00 0.00 -1.86 0.73 119.26 121.06 1irg h ALA 84 Ca -0.27 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1irg h ALA 84 Cb 2.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1irg h ALA 84 CO 0.12 -0.59 -1.35 -1.33 0.00 0.00 0.00 179.25 176.09 1irg n MET 85 N -4.48 0.62 -0.15 0.00 2.00 -1.07 -3.70 117.12 110.34 1irg n MET 85 Ca 0.19 0.18 0.08 0.00 0.00 0.00 0.00 57.70 58.15 1irg n MET 85 Cb 0.74 -1.80 0.25 0.00 0.00 0.00 0.00 33.22 32.41 1irg n MET 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1irg n ASN 86 N -2.81 1.92 0.00 7.83 5.15 0.13 -4.73 115.26 122.75 1irg n ASN 86 Ca -0.08 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 1irg n ASN 86 Cb 0.76 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1irg n SER 87 N 0.52 0.00 -1.10 1.20 2.88 0.21 -4.99 113.62 112.33 1irg n SER 87 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1irg n SER 87 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.00 0.00 2.46 4.32 -1.26 -4.58 117.00 117.93 1irg n LEU 88 Ca 0.00 0.60 0.04 0.00 -0.02 0.00 0.00 56.01 56.64 1irg n LEU 88 Cb 0.00 -0.90 0.27 0.00 -1.62 0.00 0.00 43.42 41.16 1irg n LEU 88 CO 0.00 -0.70 0.51 -0.81 -1.22 0.00 0.00 177.39 175.16 1irg n PRO 89 N 1.57 0.55 0.00 3.23 -0.04 -1.26 -2.19 135.00 136.86 1irg n PRO 89 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1irg n PRO 89 Cb 0.00 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.75 1.64 -4.53 3.54 9.92 -1.26 -4.91 116.55 120.19 1irg n ASP 90 Ca 0.07 -1.30 -0.32 0.00 -0.53 0.00 0.00 54.79 52.71 1irg n ASP 90 Cb 0.03 0.60 -0.12 0.00 -0.64 0.00 0.00 41.12 40.99 1irg n ASP 90 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1irg s ILE 91 N -2.64 3.32 -0.25 0.53 2.07 -0.93 -1.25 121.20 122.05 1irg s ILE 91 Ca 0.16 -0.82 -0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1irg s ILE 91 Cb 0.18 -2.39 0.07 0.00 0.13 0.00 0.00 42.46 40.45 1irg s ILE 91 CO 0.66 0.45 0.02 -1.61 -1.91 0.00 0.00 174.94 172.55 1irg s GLU 92 N -1.18 1.14 0.27 3.50 2.02 0.29 -4.93 118.70 119.80 1irg s GLU 92 Ca 0.15 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 1irg s GLU 92 Cb -0.11 -2.37 -0.09 0.00 0.10 0.00 0.00 34.13 31.66 1irg s GLU 92 CO 0.05 -0.73 1.24 -1.83 0.02 0.00 0.00 175.26 174.00 1irg s GLU 93 N 1.53 4.46 -0.34 1.61 -1.05 -1.26 -0.94 118.70 122.69 1irg s GLU 93 Ca 0.01 2.03 0.01 0.00 -0.15 0.00 0.00 54.97 56.86 1irg s GLU 93 Cb -0.18 -3.15 0.11 0.00 -0.44 0.00 0.00 34.13 30.46 1irg s GLU 93 CO -0.12 -0.09 0.11 0.08 0.95 0.00 0.00 175.26 176.20 1irg s VAL 94 N -0.69 1.39 -0.36 1.83 1.01 0.21 -4.93 120.40 118.87 1irg s VAL 94 Ca 0.50 -1.89 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1irg s VAL 94 Cb -0.36 -2.03 0.53 0.00 0.00 0.00 0.00 36.38 34.52 1irg s VAL 94 CO 0.44 -0.69 1.66 2.29 0.00 0.00 0.00 175.10 178.80 1irg n LYS 95 N 4.44 2.28 -2.34 2.72 2.85 -1.26 -0.83 118.16 126.02 1irg n LYS 95 Ca 0.01 -2.31 -0.35 0.00 -1.05 0.00 0.00 58.31 54.61 1irg n LYS 95 Cb 0.41 -1.93 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 1irg n LYS 95 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1irg s ASP 96 N -0.73 5.94 0.00 -5.58 1.01 -1.26 -4.59 116.67 111.45 1irg s ASP 96 Ca 0.43 -1.34 0.00 0.00 0.71 0.00 0.00 52.55 52.35 1irg s ASP 96 Cb 0.36 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1irg s ASP 96 CO 0.09 -2.04 0.86 -2.11 0.21 0.00 0.00 175.17 172.18 1irg n ARG 97 N 8.75 2.02 -1.48 8.23 -4.01 -1.26 -4.66 116.66 124.26 1irg n ARG 97 Ca 0.39 -1.23 -0.18 0.00 -1.04 0.00 0.00 57.85 55.79 1irg n ARG 97 Cb 0.49 -0.96 0.09 0.00 -3.04 0.00 0.00 32.46 29.03 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1irg n SER 98 N -0.37 4.42 0.09 2.89 7.64 -1.26 -4.46 113.62 122.56 1irg n SER 98 Ca 0.00 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1irg n SER 98 Cb 0.22 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -0.89 0.00 -0.04 0.44 -0.00 -1.26 -4.97 119.36 112.65 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 0.91 -0.10 -0.10 0.00 -0.00 0.00 0.00 39.64 40.34 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 -0.03 -5.84 0.38 1.57 -1.86 -3.49 116.57 107.30 1irg h LYS 100 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1irg h LYS 100 Cb 0.00 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1irg h LYS 100 CO 0.00 0.69 -0.91 1.63 -0.57 0.00 0.00 179.45 180.30 1irg n LYS 101 N -4.72 -2.09 0.06 3.15 5.02 -1.26 -4.91 118.16 113.41 1irg n LYS 101 Ca -0.09 1.80 -0.16 0.00 -2.02 0.00 0.00 58.31 57.85 1irg n LYS 101 Cb 0.36 -3.67 -0.14 0.00 -0.02 0.00 0.00 35.03 31.56 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 2.52 0.26 0.00 0.72 0.00 -1.94 -3.48 103.07 101.15 1irg h GLY 102 Ca -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1irg h GLY 102 CO 0.15 0.57 0.00 0.70 0.00 0.00 0.00 176.54 177.97 1irg n ASN 103 N -3.43 0.00 0.00 0.19 4.13 -1.26 -5.11 115.26 109.78 1irg n ASN 103 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1irg n ASN 103 Cb 1.04 0.27 0.00 0.00 -1.54 0.00 0.00 39.78 39.55 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 -1.99 0.00 0.00 6.41 3.02 -1.26 -5.13 115.26 116.30 1irg n ASN 104 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 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 -3.00 0.00 -2.34 5.41 0.00 -1.26 -4.97 120.51 114.35 1irg n ALA 105 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1irg n ALA 105 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.00 1.59 -0.75 0.00 0.40 -1.26 -4.90 117.98 113.05 1irg s PHE 106 Ca 0.00 -0.99 -0.20 0.00 -0.60 0.00 0.00 56.93 55.14 1irg s PHE 106 Cb 0.00 -0.95 0.11 0.00 0.51 0.00 0.00 43.02 42.69 1irg s PHE 106 CO 0.00 -0.11 0.97 0.50 0.70 0.00 0.00 175.22 177.28 1irg s ARG 107 N -3.91 3.30 -0.27 0.44 6.06 0.55 -4.67 118.95 120.45 1irg s ARG 107 Ca 0.31 -1.34 -0.29 0.00 -2.50 0.00 0.00 55.73 51.91 1irg s ARG 107 Cb 0.07 -4.51 -0.00 0.00 0.06 0.00 0.00 34.95 30.57 1irg s ARG 107 CO 0.10 -1.73 1.29 0.08 -2.50 0.00 0.00 175.30 172.55 1irg s VAL 108 N 3.14 4.18 -0.48 7.11 1.01 -0.01 -1.64 120.40 133.71 1irg s VAL 108 Ca 0.24 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 1irg s VAL 108 Cb -0.13 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1irg s VAL 108 CO 0.01 -0.39 0.40 -0.31 0.00 0.00 0.00 175.10 174.82 1irg s TYR 109 N 4.16 3.25 -0.11 5.22 1.51 0.41 0.66 117.35 132.45 1irg s TYR 109 Ca 0.56 -0.99 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 1irg s TYR 109 Cb -0.18 -3.24 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1irg s TYR 109 CO 0.21 -0.82 0.97 0.50 -1.11 0.00 0.00 175.55 175.29 1irg s ARG 110 N 1.63 4.41 -0.18 -0.62 3.52 -0.12 -1.28 118.95 126.31 1irg s ARG 110 Ca 0.04 1.32 -0.06 0.00 -0.13 0.00 0.00 55.73 56.89 1irg s ARG 110 Cb -0.25 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1irg s ARG 110 CO 0.06 -0.29 0.03 -1.64 -0.81 0.00 0.00 175.30 172.65 1irg s MET 111 N 1.94 3.86 0.26 5.12 -1.94 0.54 -0.55 119.30 128.53 1irg s MET 111 Ca 0.47 -0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 53.75 1irg s MET 111 Cb -0.18 -3.13 -0.09 0.00 2.01 0.00 0.00 34.83 33.44 1irg s MET 111 CO 0.18 0.23 0.93 -0.51 -0.01 0.00 0.00 175.02 175.84 1irg s LEU 112 N 0.46 4.54 0.00 -0.03 1.43 -0.38 -4.37 118.68 120.33 1irg s LEU 112 Ca 0.01 1.89 0.28 0.00 -1.03 0.00 0.00 54.13 55.28 1irg s LEU 112 Cb -0.13 -3.73 1.67 0.00 0.03 0.00 0.00 46.19 44.03 1irg s LEU 112 CO 0.01 0.09 2.01 -0.81 0.23 0.00 0.00 176.35 177.88