#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 1.20 0.24 0.52 1.01 -1.26 -5.16 120.40 116.95 1irg s VAL 3 Ca 0.00 -1.35 0.09 0.00 0.00 0.00 0.00 61.98 60.72 1irg s VAL 3 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1irg s VAL 3 CO 0.00 -0.21 -0.15 -1.61 0.00 0.00 0.00 175.10 173.13 1irg s GLU 4 N -1.79 1.47 -0.36 2.72 8.01 -1.26 -5.07 118.70 122.42 1irg s GLU 4 Ca -0.01 -1.67 0.05 0.00 0.01 0.00 0.00 54.97 53.35 1irg s GLU 4 Cb -0.10 -1.33 0.26 0.00 -4.31 0.00 0.00 34.13 28.65 1irg s GLU 4 CO 0.03 0.21 1.24 2.89 0.01 0.00 0.00 175.26 179.64 1irg n ARG 5 N -0.48 0.49 0.00 1.61 -4.01 -1.26 -5.14 116.66 107.87 1irg n ARG 5 Ca -0.07 -1.12 0.00 0.00 -1.04 0.00 0.00 57.85 55.62 1irg n ARG 5 Cb 0.61 -0.26 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 1irg n ARG 5 CO 0.00 0.00 0.00 -0.12 -3.04 0.00 0.00 177.63 174.47 1irg n MET 6 N -0.01 0.00 -3.76 2.89 0.00 -1.26 -4.88 117.12 110.10 1irg n MET 6 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.51 1irg n MET 6 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.91 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 0.00 1.39 0.30 2.12 6.06 -1.26 -5.04 118.95 122.52 1irg s ARG 7 Ca 0.00 -0.90 0.07 0.00 -2.50 0.00 0.00 55.73 52.40 1irg s ARG 7 Cb 0.00 0.51 0.47 0.00 0.06 0.00 0.00 34.95 35.99 1irg s ARG 7 CO 0.00 -0.59 1.71 1.98 -2.50 0.00 0.00 175.30 175.90 1irg h MET 8 N 2.21 0.21 0.67 5.12 4.05 -1.97 -0.72 114.93 124.49 1irg h MET 8 Ca -0.28 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.01 1irg h MET 8 Cb 1.26 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1irg h MET 8 CO 0.37 0.60 -0.36 0.00 0.23 0.00 0.00 176.91 177.75 1irg h ARG 9 N 0.18 -0.92 -0.01 0.39 3.08 -1.99 -0.70 114.38 114.41 1irg h ARG 9 Ca 0.01 0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1irg h ARG 9 Cb 0.82 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1irg h ARG 9 CO 0.06 -0.61 -0.61 -1.00 -1.07 0.00 0.00 179.97 176.74 1irg h PRO 10 N -0.96 0.04 -0.39 0.04 0.13 -1.98 -1.53 132.00 127.35 1irg h PRO 10 Ca -0.09 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1irg h PRO 10 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1irg h PRO 10 CO 0.12 0.64 0.00 2.35 -0.23 0.00 0.00 178.00 180.88 1irg h TRP 11 N 0.03 0.65 0.22 1.56 7.01 -0.96 -0.09 115.95 124.37 1irg h TRP 11 Ca -0.01 -0.07 -0.32 0.00 2.11 0.00 0.00 58.89 60.60 1irg h TRP 11 Cb 1.09 -0.19 0.04 0.00 -2.10 0.00 0.00 29.16 28.00 1irg h TRP 11 CO 0.00 0.63 -1.39 1.25 -2.79 0.00 0.00 178.44 176.14 1irg h LEU 12 N 0.59 0.84 -2.00 0.65 5.85 -0.91 -1.90 115.31 118.43 1irg h LEU 12 Ca 0.12 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 1irg h LEU 12 Cb 0.37 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1irg h LEU 12 CO 0.01 1.67 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.68 1irg h GLU 13 N 0.14 0.00 0.06 1.25 4.22 -0.99 -1.24 114.58 118.02 1irg h GLU 13 Ca -0.24 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 1irg h GLU 13 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1irg h GLU 13 CO 0.26 0.03 -0.03 1.49 -2.18 0.00 0.00 179.01 178.58 1irg h GLU 14 N 0.00 -0.08 -1.03 1.92 4.22 -0.97 -0.80 114.58 117.84 1irg h GLU 14 Ca -0.00 0.01 0.29 0.00 0.08 0.00 0.00 59.36 59.73 1irg h GLU 14 Cb 0.05 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 1irg h GLU 14 CO 0.00 0.10 0.62 1.96 -2.18 0.00 0.00 179.01 179.51 1irg h GLN 15 N -1.01 0.43 -0.06 1.92 1.08 -1.18 0.29 115.11 116.57 1irg h GLN 15 Ca -0.01 -0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 56.96 1irg h GLN 15 Cb 0.22 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1irg h GLN 15 CO 0.01 0.28 -0.75 0.82 -0.95 0.00 0.00 178.83 178.24 1irg h ILE 16 N 0.44 1.33 -0.57 2.54 2.04 -1.30 -0.20 117.51 121.78 1irg h ILE 16 Ca 0.68 -2.04 0.08 0.00 1.00 0.00 0.00 64.86 64.58 1irg h ILE 16 Cb 1.50 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 39.83 1irg h ILE 16 CO -0.48 0.62 0.38 -1.13 0.00 0.00 0.00 178.15 177.54 1irg h ASN 17 N 0.26 0.40 0.50 1.72 -1.24 0.10 -2.05 115.58 115.27 1irg h ASN 17 Ca -0.08 0.01 -0.28 0.00 0.71 0.00 0.00 56.30 56.66 1irg h ASN 17 Cb 1.41 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.33 1irg h ASN 17 CO 0.15 0.25 -1.69 -1.20 -1.29 0.00 0.00 177.43 173.65 1irg n SER 18 N -4.47 0.87 -1.31 1.15 7.64 -0.38 -5.02 113.62 112.09 1irg n SER 18 Ca 0.09 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1irg n SER 18 Cb 0.31 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1irg n SER 18 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1irg n ASN 19 N -3.03 -1.74 0.12 6.43 2.85 -0.12 -5.00 115.26 114.77 1irg n ASN 19 Ca -0.16 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.10 1irg n ASN 19 Cb 1.04 -0.86 -0.14 0.00 1.24 0.00 0.00 39.78 41.06 1irg n ASN 19 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1irg h THR 20 N 0.00 1.37 -4.37 -0.44 2.02 -1.77 -3.45 112.91 106.28 1irg h THR 20 Ca 0.00 -2.78 -0.70 0.00 0.77 0.00 0.00 66.41 63.70 1irg h THR 20 Cb 0.87 2.92 -0.28 0.00 -1.74 0.00 0.00 68.15 69.91 1irg h THR 20 CO 0.00 0.83 -0.86 -0.63 0.37 0.00 0.00 175.52 175.23 1irg s ILE 21 N -2.72 2.32 -1.35 3.11 -1.09 -1.26 -4.99 121.20 115.21 1irg s ILE 21 Ca -0.07 -1.00 0.21 0.00 -2.23 0.00 0.00 60.65 57.56 1irg s ILE 21 Cb 0.06 -1.84 0.33 0.00 -1.58 0.00 0.00 42.46 39.43 1irg s ILE 21 CO 0.92 0.58 1.68 -0.81 -1.23 0.00 0.00 174.94 176.07 1irg n PRO 22 N 2.49 0.25 -0.00 2.79 -0.04 -1.26 -2.37 135.00 136.86 1irg n PRO 22 Ca -0.17 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1irg n PRO 22 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.54 -0.50 3.28 0.55 0.00 -1.26 -4.90 105.19 102.89 1irg n GLY 23 Ca 0.09 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.78 2.38 0.12 0.99 2.96 -1.00 -1.98 118.68 119.36 1irg s LEU 24 Ca 0.06 -0.47 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 1irg s LEU 24 Cb 0.12 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 45.38 1irg s LEU 24 CO 0.65 0.15 1.08 -1.59 -1.32 0.00 0.00 176.35 175.32 1irg s LYS 25 N 0.45 1.01 -0.57 1.98 0.00 -0.51 -4.47 119.74 117.63 1irg s LYS 25 Ca -0.13 -0.61 -0.27 0.00 0.00 0.00 0.00 55.97 54.96 1irg s LYS 25 Cb -0.17 0.31 0.03 0.00 0.00 0.00 0.00 37.83 38.01 1irg s LYS 25 CO 0.06 -0.47 1.13 -1.58 0.00 0.00 0.00 175.35 174.48 1irg s TRP 26 N -2.57 2.66 0.30 1.78 0.52 -1.26 -1.30 118.94 119.07 1irg s TRP 26 Ca 0.18 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.59 1irg s TRP 26 Cb -0.01 -4.40 0.46 0.00 -1.15 0.00 0.00 33.47 28.38 1irg s TRP 26 CO 0.02 -1.52 1.95 -0.07 0.02 0.00 0.00 176.95 177.35 1irg h LEU 27 N 11.66 0.89 -5.00 2.99 3.38 -0.70 -3.37 115.31 125.17 1irg h LEU 27 Ca -0.25 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1irg h LEU 27 Cb 1.06 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 1irg h LEU 27 CO 1.16 0.68 -0.49 0.59 0.09 0.00 0.00 178.44 180.47 1irg n ASN 28 N -4.39 -3.32 0.15 -0.43 4.13 -1.03 -4.98 115.26 105.39 1irg n ASN 28 Ca 0.08 -3.02 0.19 0.00 1.68 0.00 0.00 54.58 53.51 1irg n ASN 28 Cb 0.06 1.78 0.75 0.00 -1.54 0.00 0.00 39.78 40.83 1irg n ASN 28 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1irg h LYS 29 N 4.73 0.00 0.51 3.52 -0.00 -1.73 0.20 116.57 123.80 1irg h LYS 29 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1irg h LYS 29 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.30 1irg h LYS 29 CO 0.09 0.00 -0.43 1.49 -0.00 0.00 0.00 179.45 180.61 1irg h GLU 30 N 0.00 -0.89 -0.00 0.07 4.57 -1.94 -0.34 114.58 116.05 1irg h GLU 30 Ca 0.15 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1irg h GLU 30 Cb 1.03 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1irg h GLU 30 CO -0.00 -0.60 -0.01 1.63 -1.18 0.00 0.00 179.01 178.85 1irg n LYS 31 N -5.53 0.55 -2.30 1.92 5.02 -0.31 -4.90 118.16 112.60 1irg n LYS 31 Ca -0.12 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.12 1irg n LYS 31 Cb 0.42 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.20 -0.93 -4.08 1.97 4.76 0.55 -4.68 118.16 114.55 1irg n LYS 32 Ca 0.16 0.11 -0.35 0.00 -2.87 0.00 0.00 58.31 55.36 1irg n LYS 32 Cb 0.23 -2.95 -0.12 0.00 -1.84 0.00 0.00 35.03 30.34 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 -3.05 4.18 -0.06 -0.18 1.09 -0.65 -1.01 121.20 121.51 1irg s ILE 33 Ca 0.02 -0.24 0.02 0.00 -1.10 0.00 0.00 60.65 59.35 1irg s ILE 33 Cb -0.01 -2.89 0.02 0.00 -1.06 0.00 0.00 42.46 38.52 1irg s ILE 33 CO 0.10 0.43 -0.10 0.72 -0.10 0.00 0.00 174.94 175.99 1irg s PHE 34 N 0.82 1.29 -0.11 3.97 -0.12 -0.36 0.07 117.98 123.55 1irg s PHE 34 Ca 0.01 -0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1irg s PHE 34 Cb -0.14 -0.99 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 1irg s PHE 34 CO 0.02 -0.28 -0.01 -1.14 -0.05 0.00 0.00 175.22 173.76 1irg s GLN 35 N 0.83 3.20 0.16 1.99 0.74 -0.42 -0.83 119.66 125.33 1irg s GLN 35 Ca -0.12 -0.45 0.08 0.00 0.05 0.00 0.00 55.36 54.93 1irg s GLN 35 Cb -0.15 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 1irg s GLN 35 CO 0.02 0.55 -0.10 0.42 -0.55 0.00 0.00 175.29 175.63 1irg s ILE 36 N -0.48 3.20 -0.06 -2.34 1.01 -0.75 -1.42 121.20 120.36 1irg s ILE 36 Ca 0.08 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.98 1irg s ILE 36 Cb -0.12 -2.55 -0.30 0.00 0.01 0.00 0.00 42.46 39.49 1irg s ILE 36 CO 0.02 -0.03 0.82 1.55 0.00 0.00 0.00 174.94 177.30 1irg h PRO 37 N 3.16 0.28 0.00 2.79 0.13 -1.71 0.03 132.00 136.68 1irg h PRO 37 Ca -0.48 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1irg h PRO 37 Cb 1.19 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1irg h PRO 37 CO 0.53 1.23 0.00 0.91 -0.23 0.00 0.00 178.00 180.44 1irg n TRP 38 N -4.10 0.00 0.00 1.56 7.02 -1.26 -3.20 117.44 117.46 1irg n TRP 38 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 1irg n TRP 38 Cb 0.83 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 29.16 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 -2.00 0.00 -4.47 -0.99 2.81 -1.26 -4.21 117.12 106.99 1irg n MET 39 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1irg n MET 39 Cb 0.00 -1.56 -0.09 0.00 -0.71 0.00 0.00 33.22 30.87 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 -1.98 -1.19 -2.16 2.03 -0.00 -1.19 0.21 115.22 110.93 1irg n HIS 40 Ca 0.00 0.66 0.00 0.00 0.46 0.00 0.00 57.72 58.84 1irg n HIS 40 Cb 0.00 -2.16 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 -4.23 0.00 -1.43 1.57 0.00 -1.26 -4.84 120.51 110.32 1irg n ALA 41 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1irg n ALA 41 Cb 0.53 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.55 -2.72 -0.43 0.00 0.00 0.13 -1.05 120.51 114.90 1irg n ALA 42 Ca 0.00 0.64 0.40 0.00 0.00 0.00 0.00 53.44 54.49 1irg n ALA 42 Cb 0.49 -1.41 0.76 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.68 0.00 0.00 0.00 2.47 -1.83 -3.22 114.38 111.12 1irg h ARG 43 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1irg h ARG 43 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1irg h ARG 43 CO 0.04 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.29 1irg n HIS 44 N -4.04 -0.69 0.00 3.04 8.25 -1.24 -5.08 115.22 115.46 1irg n HIS 44 Ca 0.31 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1irg n HIS 44 Cb 1.49 0.17 0.00 0.00 1.12 0.00 0.00 29.99 32.76 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 2.94 0.00 1.15 -1.41 0.00 -0.21 -4.89 105.19 102.76 1irg n GLY 45 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.31 0.00 1.61 2.14 -1.26 -4.89 117.44 114.72 1irg n TRP 46 Ca 0.00 -0.49 0.00 0.00 2.07 0.00 0.00 57.50 59.08 1irg n TRP 46 Cb 0.00 0.59 0.00 0.00 -0.81 0.00 0.00 31.31 31.09 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 -0.23 0.00 -3.26 -0.67 8.00 -1.26 -5.10 116.55 114.03 1irg n ASP 47 Ca -0.16 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.10 1irg n ASP 47 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1irg n VAL 48 N 0.00 -0.89 -1.60 2.53 0.31 -1.26 -4.93 118.33 112.49 1irg n VAL 48 Ca 0.00 -3.65 -0.36 0.00 -0.01 0.00 0.00 64.34 60.32 1irg n VAL 48 Cb 0.00 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.05 3.87 -0.10 5.55 2.13 -1.26 -4.63 120.64 128.25 1irg n GLU 49 Ca 0.24 -2.68 -0.06 0.00 0.66 0.00 0.00 57.16 55.33 1irg n GLU 49 Cb 0.51 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 4.51 -0.01 -1.79 5.31 1.79 -1.97 -0.82 116.57 123.58 1irg h LYS 50 Ca 0.71 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.94 1irg h LYS 50 Cb 0.42 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 1irg h LYS 50 CO 1.46 -0.01 0.19 -0.25 -1.08 0.00 0.00 179.45 179.76 1irg n ASP 51 N -5.29 6.00 0.09 0.86 8.00 -1.26 -4.29 116.55 120.66 1irg n ASP 51 Ca 0.01 -2.83 0.11 0.00 0.71 0.00 0.00 54.79 52.80 1irg n ASP 51 Cb 0.20 -1.15 0.01 0.00 -0.02 0.00 0.00 41.12 40.15 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 1.04 2.60 0.65 2.24 0.00 -0.32 -3.19 120.51 123.53 1irg n ALA 52 Ca 0.26 -0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1irg n ALA 52 Cb 0.60 -1.09 0.43 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.59 0.05 -0.08 0.00 -0.04 -1.26 -2.65 135.00 128.43 1irg n PRO 53 Ca 0.00 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1irg n PRO 53 Cb 0.54 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1irg n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1irg n LEU 54 N -1.66 1.60 -0.57 1.53 4.32 -1.25 -4.29 117.00 116.67 1irg n LEU 54 Ca 0.05 0.27 0.46 0.00 -0.02 0.00 0.00 56.01 56.76 1irg n LEU 54 Cb 0.25 -0.62 0.70 0.00 -1.62 0.00 0.00 43.42 42.13 1irg n LEU 54 CO 0.20 -0.01 1.37 0.49 -1.22 0.00 0.00 177.39 178.22 1irg n PHE 55 N -4.08 0.00 0.03 -1.77 3.01 -1.19 0.15 117.46 113.60 1irg n PHE 55 Ca -0.25 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.09 1irg n PHE 55 Cb 0.58 -0.42 -0.09 0.00 -0.01 0.00 0.00 39.48 39.53 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 -0.13 -0.31 -1.08 9.65 -1.70 -2.95 114.38 117.85 1irg h ARG 56 Ca 0.80 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.78 1irg h ARG 56 Cb 3.43 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 32.03 1irg h ARG 56 CO -0.01 0.35 0.77 -2.95 2.80 0.00 0.00 179.97 180.93 1irg h ASN 57 N -0.71 0.00 -0.75 -3.80 7.08 0.12 -2.27 115.58 115.24 1irg h ASN 57 Ca -0.01 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 53.32 1irg h ASN 57 Cb 0.55 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.66 1irg h ASN 57 CO 0.02 0.00 -0.40 -0.50 -2.08 0.00 0.00 177.43 174.47 1irg h TRP 58 N 0.00 -1.15 -0.12 4.14 -0.00 -1.38 0.29 115.95 117.73 1irg h TRP 58 Ca 0.15 0.09 -0.08 0.00 -0.00 0.00 0.00 58.89 59.05 1irg h TRP 58 Cb 1.68 0.61 -0.03 0.00 -0.00 0.00 0.00 29.16 31.42 1irg h TRP 58 CO 0.00 -0.40 0.10 0.00 -0.00 0.00 0.00 178.44 178.14 1irg n ALA 59 N -3.26 4.24 0.07 1.49 0.00 -0.85 -3.82 120.51 118.37 1irg n ALA 59 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1irg n ALA 59 Cb 0.36 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.20 0.00 0.12 0.00 -0.00 0.84 -3.74 119.36 117.78 1irg n ILE 60 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.77 1irg n ILE 60 Cb 0.52 -0.06 -0.02 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 -0.29 -1.78 1.39 -0.00 -1.27 -2.99 115.15 110.21 1irg h HIS 61 Ca 0.00 -0.01 0.53 0.00 -0.00 0.00 0.00 60.37 60.89 1irg h HIS 61 Cb 0.00 0.10 -0.09 0.00 -0.00 0.00 0.00 27.41 27.42 1irg h HIS 61 CO 0.00 -0.18 1.26 1.79 -0.00 0.00 0.00 177.93 180.80 1irg h THR 62 N -0.43 0.06 -0.80 6.26 1.35 -1.72 -3.44 112.91 114.20 1irg h THR 62 Ca -0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1irg h THR 62 Cb 0.24 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 1irg h THR 62 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1irg n GLY 63 N -1.83 0.54 0.00 5.82 0.00 -1.13 -5.00 105.19 103.58 1irg n GLY 63 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.40 1.74 0.00 1.61 4.01 -1.26 -4.99 118.16 118.87 1irg n LYS 64 Ca 0.00 -1.18 0.00 0.00 -0.51 0.00 0.00 58.31 56.62 1irg n LYS 64 Cb 0.21 -0.99 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 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 -0.34 0.00 -3.86 2.13 -0.00 -1.25 -4.91 115.22 107.00 1irg n HIS 65 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1irg n HIS 65 Cb 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.05 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 0.33 -0.14 1.57 -0.21 -1.25 -3.56 119.66 114.41 1irg s GLN 66 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.93 1irg s GLN 66 Cb 0.00 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 1irg s GLN 66 CO 0.00 -0.07 1.18 -1.25 -2.12 0.00 0.00 175.29 173.03 1irg s PRO 67 N -0.76 4.29 0.00 2.91 0.04 -1.26 -2.62 135.00 137.60 1irg s PRO 67 Ca -0.08 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1irg s PRO 67 Cb -0.05 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1irg s PRO 67 CO 0.01 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1irg n GLY 68 N 3.44 0.79 1.33 0.56 0.00 -1.26 -4.91 105.19 105.15 1irg n GLY 68 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.38 0.00 -2.76 -0.61 5.41 -1.15 -5.13 119.36 112.75 1irg n ILE 69 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 1irg n ILE 69 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 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 -2.30 5.44 0.37 4.38 1.01 -1.08 -5.00 116.67 119.48 1irg s ASP 70 Ca 0.00 0.02 -0.21 0.00 0.71 0.00 0.00 52.55 53.07 1irg s ASP 70 Cb 0.00 -1.01 -0.10 0.00 1.01 0.00 0.00 42.92 42.82 1irg s ASP 70 CO 0.00 -1.00 0.88 -0.54 0.21 0.00 0.00 175.17 174.72 1irg s LYS 71 N -4.67 4.26 -0.52 8.23 3.01 -1.26 -4.65 119.74 124.13 1irg s LYS 71 Ca 0.55 1.04 -0.28 0.00 -1.01 0.00 0.00 55.97 56.27 1irg s LYS 71 Cb -0.10 -2.42 0.02 0.00 -1.01 0.00 0.00 37.83 34.32 1irg s LYS 71 CO 0.38 0.11 1.28 -1.25 0.51 0.00 0.00 175.35 176.37 1irg s PRO 72 N -2.80 3.53 -0.45 -1.68 0.04 -1.26 -4.89 135.00 127.48 1irg s PRO 72 Ca 0.56 0.51 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 1irg s PRO 72 Cb -0.12 -4.02 0.11 0.00 0.04 0.00 0.00 34.50 30.51 1irg s PRO 72 CO 0.17 -1.65 0.31 -0.51 0.04 0.00 0.00 177.00 175.37 1irg s ASP 73 N 3.38 5.67 0.00 6.66 1.01 -1.26 -4.91 116.67 127.22 1irg s ASP 73 Ca 0.50 -1.80 0.23 0.00 0.71 0.00 0.00 52.55 52.19 1irg s ASP 73 Cb -0.09 -2.00 1.35 0.00 1.01 0.00 0.00 42.92 43.19 1irg s ASP 73 CO 0.28 -0.64 1.81 -0.81 0.21 0.00 0.00 175.17 176.02 1irg n PRO 74 N 4.90 0.90 -0.06 8.23 -0.04 -1.26 -3.55 135.00 144.12 1irg n PRO 74 Ca -0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.21 1irg n PRO 74 Cb 0.41 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.04 0.00 0.54 1.57 -2.02 -3.31 116.57 113.39 1irg h LYS 75 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1irg h LYS 75 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1irg h LYS 75 CO 0.00 1.03 0.00 2.41 -0.57 0.00 0.00 179.45 182.32 1irg n THR 76 N -4.48 0.15 0.83 -0.16 -1.04 -1.24 -2.93 114.28 105.41 1irg n THR 76 Ca -0.17 0.04 0.11 0.00 -2.04 0.00 0.00 64.05 61.99 1irg n THR 76 Cb 0.59 -0.58 0.50 0.00 -1.82 0.00 0.00 70.33 69.02 1irg n THR 76 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1irg n TRP 77 N -1.45 0.00 0.09 -1.42 8.01 -1.23 -2.29 117.44 119.14 1irg n TRP 77 Ca 0.08 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.32 1irg n TRP 77 Cb 0.29 -0.48 -0.07 0.00 -2.01 0.00 0.00 31.31 29.05 1irg n TRP 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1irg n LYS 78 N -1.48 1.02 -0.01 -0.99 3.00 -1.15 -4.52 118.16 114.04 1irg n LYS 78 Ca 0.06 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.18 1irg n LYS 78 Cb 0.26 -1.18 -0.14 0.00 0.00 0.00 0.00 35.03 33.97 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1irg n ALA 79 N -1.72 1.33 0.29 3.14 0.00 -1.17 -3.92 120.51 118.47 1irg n ALA 79 Ca -0.01 -0.71 0.18 0.00 0.00 0.00 0.00 53.44 52.90 1irg n ALA 79 Cb 0.23 -0.81 0.79 0.00 0.00 0.00 0.00 19.45 19.66 1irg n ALA 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1irg h ASN 80 N 0.02 0.00 0.07 0.00 -0.26 -1.70 -2.84 115.58 110.87 1irg h ASN 80 Ca -0.32 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.42 1irg h ASN 80 Cb 2.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.28 1irg h ASN 80 CO 0.08 0.00 -0.03 0.15 -1.06 0.00 0.00 177.43 176.57 1irg h PHE 81 N 0.00 -0.09 -0.77 1.19 3.04 -1.79 -3.17 116.94 115.34 1irg h PHE 81 Ca 0.00 -0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.14 1irg h PHE 81 Cb 0.40 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1irg h PHE 81 CO 0.00 0.01 0.53 0.00 -2.02 0.00 0.00 178.31 176.83 1irg h ARG 82 N -1.02 0.20 -0.86 1.11 -0.00 -1.68 0.22 114.38 112.35 1irg h ARG 82 Ca -0.01 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 1irg h ARG 82 Cb 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.03 1irg h ARG 82 CO 0.02 0.13 0.45 0.00 0.00 0.00 0.00 179.97 180.57 1irg h ALA 84 N 1.24 1.79 -0.04 0.00 0.00 -0.52 0.25 119.26 121.97 1irg h ALA 84 Ca 0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1irg h ALA 84 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1irg h ALA 84 CO -0.04 -0.37 -0.84 0.52 0.00 0.00 0.00 179.25 178.52 1irg h MET 85 N 0.00 0.42 -0.34 0.00 2.07 -1.10 -2.84 114.93 113.15 1irg h MET 85 Ca 0.10 -0.40 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 1irg h MET 85 Cb 0.62 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 1irg h MET 85 CO -0.00 1.05 0.00 -1.71 1.07 0.00 0.00 176.91 177.32 1irg n ASN 86 N -3.79 2.00 -0.96 1.22 5.15 0.71 -4.88 115.26 114.71 1irg n ASN 86 Ca -0.06 -1.93 0.00 0.00 -0.60 0.00 0.00 54.58 51.99 1irg n ASN 86 Cb 0.77 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 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 0.58 0.18 -1.55 1.20 2.88 -0.27 -4.90 113.62 111.74 1irg n SER 87 Ca 0.14 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 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 -1.65 -0.23 2.46 4.32 -1.26 -4.65 117.00 115.98 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 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 1irg n LEU 88 CO 0.00 -1.34 0.24 -0.81 -1.22 0.00 0.00 177.39 174.25 1irg n PRO 89 N 1.86 0.61 0.00 3.23 -0.04 -1.26 -2.41 135.00 136.99 1irg n PRO 89 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1irg n PRO 89 Cb 0.00 -1.14 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.18 1.95 -4.86 3.54 9.92 -1.26 -4.97 116.55 120.69 1irg n ASP 90 Ca 0.00 -1.48 -0.36 0.00 -0.53 0.00 0.00 54.79 52.43 1irg n ASP 90 Cb 0.07 0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1irg s ILE 91 N -1.02 5.13 -0.41 0.53 -4.36 -1.01 -1.33 121.20 118.72 1irg s ILE 91 Ca 0.14 0.50 0.03 0.00 -0.26 0.00 0.00 60.65 61.06 1irg s ILE 91 Cb 0.10 -3.64 0.12 0.00 1.25 0.00 0.00 42.46 40.29 1irg s ILE 91 CO 0.16 0.40 0.17 -1.61 0.24 0.00 0.00 174.94 174.29 1irg s GLU 92 N -1.62 1.46 0.29 0.37 0.41 0.17 -4.79 118.70 114.99 1irg s GLU 92 Ca 0.29 -2.01 -0.30 0.00 -0.41 0.00 0.00 54.97 52.54 1irg s GLU 92 Cb -0.14 -2.83 -0.11 0.00 -1.78 0.00 0.00 34.13 29.27 1irg s GLU 92 CO 0.16 -1.05 1.48 -1.83 -0.49 0.00 0.00 175.26 173.53 1irg s GLU 93 N 0.51 4.21 -0.34 1.61 4.04 -1.26 -0.71 118.70 126.76 1irg s GLU 93 Ca 0.14 2.42 0.04 0.00 0.04 0.00 0.00 54.97 57.61 1irg s GLU 93 Cb -0.22 -3.06 0.16 0.00 0.02 0.00 0.00 34.13 31.03 1irg s GLU 93 CO -0.06 -0.48 0.45 0.08 -1.84 0.00 0.00 175.26 173.40 1irg s VAL 94 N -0.26 -0.62 -0.23 1.83 1.01 0.23 -4.92 120.40 117.45 1irg s VAL 94 Ca 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1irg s VAL 94 Cb -0.44 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1irg s VAL 94 CO 0.48 -0.32 0.96 2.29 0.00 0.00 0.00 175.10 178.51 1irg n LYS 95 N 4.81 1.12 -3.11 2.72 2.85 -1.26 -0.82 118.16 124.47 1irg n LYS 95 Ca 0.06 -0.20 -0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1irg n LYS 95 Cb 0.50 -1.18 -0.00 0.00 -0.65 0.00 0.00 35.03 33.69 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 0.31 -7.11 -0.04 -5.58 9.92 -1.26 -4.73 116.55 108.07 1irg n ASP 96 Ca 0.04 0.77 -0.13 0.00 -0.53 0.00 0.00 54.79 54.94 1irg n ASP 96 Cb 0.52 -1.68 -0.07 0.00 -0.64 0.00 0.00 41.12 39.25 1irg n ASP 96 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1irg h ARG 97 N 4.49 -0.47 -0.49 -1.24 2.43 -1.95 -3.38 114.38 113.77 1irg h ARG 97 Ca -0.01 0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.90 1irg h ARG 97 Cb 0.40 0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 29.82 1irg h ARG 97 CO 0.00 -0.31 -0.67 0.43 -1.51 0.00 0.00 179.97 177.91 1irg n SER 98 N -5.43 -0.95 0.00 -3.80 7.64 -1.26 -5.01 113.62 104.81 1irg n SER 98 Ca -0.04 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1irg n SER 98 Cb 0.37 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 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 -0.11 0.00 -2.71 0.44 -0.00 -1.26 -4.94 119.36 110.78 1irg n ILE 99 Ca 0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.37 1irg n ILE 99 Cb 0.78 -0.22 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 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 -1.97 3.31 -2.72 0.38 3.00 -1.26 -4.61 118.16 114.28 1irg n LYS 100 Ca 0.00 -3.56 -0.08 0.00 -0.00 0.00 0.00 58.31 54.67 1irg n LYS 100 Cb 0.00 -3.20 0.08 0.00 0.00 0.00 0.00 35.03 31.91 1irg n LYS 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1irg n LYS 101 N 6.44 0.76 0.07 1.64 -0.00 -1.26 -4.54 118.16 121.26 1irg n LYS 101 Ca 0.42 -1.61 -0.09 0.00 -0.00 0.00 0.00 58.31 57.03 1irg n LYS 101 Cb 0.43 -1.01 -0.06 0.00 -0.00 0.00 0.00 35.03 34.39 1irg n LYS 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1irg h GLY 102 N 3.26 -0.27 -2.07 2.58 0.00 -2.02 -3.43 103.07 101.12 1irg h GLY 102 Ca -0.15 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1irg h GLY 102 CO 0.15 -0.10 -0.62 0.70 0.00 0.00 0.00 176.54 176.67 1irg n ASN 103 N -4.94 0.20 0.00 0.19 3.02 -1.26 -4.98 115.26 107.48 1irg n ASN 103 Ca -0.07 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1irg n ASN 103 Cb 0.23 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1irg n ASN 104 N 0.21 0.00 -1.43 6.41 3.02 -1.26 -5.14 115.26 117.08 1irg n ASN 104 Ca -0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1irg n ASN 104 Cb 0.87 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.13 -2.98 -3.99 5.41 0.00 -1.26 -4.95 120.51 110.62 1irg n ALA 105 Ca 0.00 0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1irg n ALA 105 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 0.25 -0.16 -3.50 0.00 3.01 -1.26 -4.67 117.46 111.13 1irg n PHE 106 Ca -0.03 -1.74 -0.42 0.00 1.01 0.00 0.00 57.45 56.27 1irg n PHE 106 Cb 0.05 0.08 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 1irg n PHE 106 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1irg s ARG 107 N -2.95 2.66 -0.46 -1.08 6.06 -0.01 -4.23 118.95 118.94 1irg s ARG 107 Ca 0.19 -1.84 -0.27 0.00 -2.50 0.00 0.00 55.73 51.31 1irg s ARG 107 Cb 0.01 -4.03 0.03 0.00 0.06 0.00 0.00 34.95 31.02 1irg s ARG 107 CO 0.13 -1.23 1.04 0.08 -2.50 0.00 0.00 175.30 172.82 1irg s VAL 108 N 1.27 4.34 -0.06 7.11 1.01 -0.00 -1.81 120.40 132.26 1irg s VAL 108 Ca 0.06 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 1irg s VAL 108 Cb -0.26 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 1irg s VAL 108 CO -0.01 -0.91 0.28 -0.31 0.00 0.00 0.00 175.10 174.15 1irg s TYR 109 N 4.10 3.66 -0.21 5.22 1.51 -0.01 0.74 117.35 132.37 1irg s TYR 109 Ca 0.43 0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 57.22 1irg s TYR 109 Cb -0.09 -2.12 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1irg s TYR 109 CO 0.29 0.68 -0.07 1.03 -1.11 0.00 0.00 175.55 176.37 1irg s ARG 110 N -1.02 3.32 -0.14 -0.62 0.52 0.11 -1.22 118.95 119.89 1irg s ARG 110 Ca 0.19 -0.65 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 1irg s ARG 110 Cb -0.14 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1irg s ARG 110 CO 0.09 -0.20 0.26 -1.64 0.02 0.00 0.00 175.30 173.83 1irg s MET 111 N 1.45 4.11 -0.04 3.54 -1.94 -0.18 0.46 119.30 126.69 1irg s MET 111 Ca 0.06 0.05 -0.26 0.00 -1.71 0.00 0.00 55.69 53.83 1irg s MET 111 Cb -0.14 -3.37 -0.21 0.00 2.01 0.00 0.00 34.83 33.11 1irg s MET 111 CO -0.05 0.36 1.18 -0.07 -0.01 0.00 0.00 175.02 176.44 1irg h LEU 112 N 6.26 0.02 0.00 -0.03 3.38 -1.48 -3.42 115.31 120.05 1irg h LEU 112 Ca -0.44 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1irg h LEU 112 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1irg h LEU 112 CO 0.72 0.60 0.00 -0.81 0.09 0.00 0.00 178.44 179.04