#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 -0.60 -0.35 0.52 0.11 -1.26 -5.02 120.40 113.80 1irg s VAL 3 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1irg s VAL 3 Cb 0.00 -0.70 0.53 0.00 -1.53 0.00 0.00 36.38 34.69 1irg s VAL 3 CO 0.00 0.00 1.58 -1.84 -3.33 0.00 0.00 175.10 171.51 1irg n GLU 4 N 5.30 2.11 -4.25 1.54 0.28 -1.26 -4.93 120.64 119.44 1irg n GLU 4 Ca 0.04 -3.24 -0.32 0.00 -0.16 0.00 0.00 57.16 53.48 1irg n GLU 4 Cb 0.55 -1.96 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 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 -1.09 -1.90 -1.47 3.44 1.74 -1.26 -4.89 116.66 111.23 1irg n ARG 5 Ca 0.42 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 57.43 1irg n ARG 5 Cb 1.13 -4.28 0.12 0.00 -1.02 0.00 0.00 32.46 28.41 1irg n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irg s MET 6 N -7.07 1.51 0.55 5.56 0.23 -1.26 -5.07 119.30 113.75 1irg s MET 6 Ca 0.27 0.53 0.08 0.00 -1.03 0.00 0.00 55.69 55.53 1irg s MET 6 Cb -0.15 -1.86 0.06 0.00 -1.53 0.00 0.00 34.83 31.35 1irg s MET 6 CO 0.96 -2.00 0.60 1.03 -2.03 0.00 0.00 175.02 173.59 1irg s ARG 7 N -5.15 2.31 0.26 3.16 3.00 -1.26 -4.94 118.95 116.33 1irg s ARG 7 Ca 0.63 -1.79 0.01 0.00 0.00 0.00 0.00 55.73 54.58 1irg s ARG 7 Cb -0.15 -2.40 0.34 0.00 0.00 0.00 0.00 34.95 32.73 1irg s ARG 7 CO 0.55 -0.71 1.68 1.98 0.00 0.00 0.00 175.30 178.79 1irg h MET 8 N 0.47 0.52 0.36 3.54 1.85 -1.98 -1.14 114.93 118.56 1irg h MET 8 Ca -0.34 -0.22 -0.00 0.00 -0.61 0.00 0.00 59.70 58.54 1irg h MET 8 Cb 1.29 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.28 1irg h MET 8 CO 0.49 0.76 -0.37 0.00 -0.40 0.00 0.00 176.91 177.39 1irg h ARG 9 N 0.45 -0.73 -0.05 0.39 3.08 -2.00 -1.46 114.38 114.06 1irg h ARG 9 Ca 0.06 0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1irg h ARG 9 Cb 0.74 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1irg h ARG 9 CO 0.06 -0.49 -0.49 -1.00 -1.07 0.00 0.00 179.97 176.99 1irg h PRO 10 N -0.76 0.13 -0.40 0.04 0.13 -1.96 -1.89 132.00 127.29 1irg h PRO 10 Ca -0.02 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1irg h PRO 10 Cb 0.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1irg h PRO 10 CO -0.07 0.59 0.24 2.35 -0.23 0.00 0.00 178.00 180.87 1irg h TRP 11 N 0.10 0.44 0.21 1.56 7.01 -0.83 -1.24 115.95 123.19 1irg h TRP 11 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1irg h TRP 11 Cb 0.90 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1irg h TRP 11 CO 0.01 0.26 -0.10 1.25 -2.79 0.00 0.00 178.44 177.07 1irg h LEU 12 N 0.48 -0.23 -0.96 0.65 5.85 -1.13 -1.69 115.31 118.27 1irg h LEU 12 Ca 0.16 -0.28 0.30 0.00 0.84 0.00 0.00 57.88 58.89 1irg h LEU 12 Cb 0.01 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 40.93 1irg h LEU 12 CO -0.07 0.22 0.26 -0.08 -0.34 0.00 0.00 178.44 178.42 1irg h GLU 13 N -0.75 0.09 -0.32 1.25 4.81 -1.19 0.80 114.58 119.27 1irg h GLU 13 Ca -0.03 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1irg h GLU 13 Cb 0.50 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1irg h GLU 13 CO 0.05 0.06 -0.13 1.49 -0.73 0.00 0.00 179.01 179.74 1irg h GLU 14 N 0.09 0.66 0.44 1.92 4.81 -1.11 -1.45 114.58 119.94 1irg h GLU 14 Ca 0.65 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1irg h GLU 14 Cb 1.47 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1irg h GLU 14 CO -0.78 0.86 -0.21 1.96 -0.73 0.00 0.00 179.01 180.11 1irg h GLN 15 N 0.43 -0.57 -0.44 1.92 1.08 0.15 0.31 115.11 117.98 1irg h GLN 15 Ca 0.07 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.40 1irg h GLN 15 Cb 0.66 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.12 1irg h GLN 15 CO 0.04 -0.38 -0.33 0.82 -0.95 0.00 0.00 178.83 178.03 1irg h ILE 16 N -0.65 0.21 0.00 2.54 2.04 -0.94 0.55 117.51 121.27 1irg h ILE 16 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1irg h ILE 16 Cb 0.45 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1irg h ILE 16 CO 0.10 0.00 -0.10 -1.13 0.00 0.00 0.00 178.15 177.02 1irg h ASN 17 N -0.23 0.00 0.53 1.72 -0.73 -1.28 -1.55 115.58 114.04 1irg h ASN 17 Ca 0.18 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1irg h ASN 17 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1irg h ASN 17 CO -0.57 0.10 -0.51 -1.20 -0.37 0.00 0.00 177.43 174.87 1irg n SER 18 N -3.62 0.51 -3.15 1.15 7.64 0.11 -4.99 113.62 111.28 1irg n SER 18 Ca -0.02 -0.21 -0.04 0.00 1.01 0.00 0.00 58.87 59.61 1irg n SER 18 Cb 0.22 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1irg n SER 18 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1irg n ASN 19 N -1.55 -7.41 0.10 6.43 4.13 0.16 -4.91 115.26 112.20 1irg n ASN 19 Ca 0.05 -0.16 0.08 0.00 1.68 0.00 0.00 54.58 56.23 1irg n ASN 19 Cb 0.34 -4.81 -0.01 0.00 -1.54 0.00 0.00 39.78 33.76 1irg n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irg h THR 20 N 0.46 0.19 -4.10 3.41 1.03 -1.83 -3.46 112.91 108.61 1irg h THR 20 Ca -0.09 -1.35 -0.44 0.00 -0.01 0.00 0.00 66.41 64.53 1irg h THR 20 Cb 1.06 1.75 -0.29 0.00 -1.07 0.00 0.00 68.15 69.59 1irg h THR 20 CO 0.30 0.11 -0.79 -0.63 -0.01 0.00 0.00 175.52 174.50 1irg s ILE 21 N -3.20 0.90 -0.99 0.00 -1.09 -1.26 -5.07 121.20 110.49 1irg s ILE 21 Ca -0.00 -0.48 -0.23 0.00 -2.23 0.00 0.00 60.65 57.70 1irg s ILE 21 Cb 0.09 -0.76 -0.00 0.00 -1.58 0.00 0.00 42.46 40.21 1irg s ILE 21 CO 0.78 0.26 1.73 -2.16 -1.23 0.00 0.00 174.94 174.32 1irg s PRO 22 N -0.24 3.06 0.00 2.79 0.04 -1.26 -2.47 135.00 136.92 1irg s PRO 22 Ca 0.04 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1irg s PRO 22 Cb -0.05 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1irg s PRO 22 CO -0.00 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1irg n GLY 23 N 6.73 0.78 3.61 0.56 0.00 -1.26 -4.99 105.19 110.62 1irg n GLY 23 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 3.73 0.00 0.99 2.96 -1.03 -3.91 118.68 121.42 1irg s LEU 24 Ca 0.00 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1irg s LEU 24 Cb 0.00 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1irg s LEU 24 CO 0.00 0.17 0.00 2.29 -1.32 0.00 0.00 176.35 177.49 1irg n LYS 25 N 3.58 -0.60 -2.53 1.98 -0.00 -0.56 -4.65 118.16 115.38 1irg n LYS 25 Ca -0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.71 1irg n LYS 25 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.53 1irg n LYS 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1irg s TRP 26 N -2.00 2.70 0.44 5.58 0.52 -1.26 -1.29 118.94 123.64 1irg s TRP 26 Ca 0.00 0.70 0.16 0.00 0.02 0.00 0.00 56.10 56.99 1irg s TRP 26 Cb 0.00 -4.41 1.06 0.00 -1.15 0.00 0.00 33.47 28.97 1irg s TRP 26 CO 0.00 -1.46 2.00 -0.07 0.02 0.00 0.00 176.95 177.44 1irg h LEU 27 N 11.49 0.00 -5.06 2.99 3.38 -0.62 -3.35 115.31 124.14 1irg h LEU 27 Ca -0.24 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.54 1irg h LEU 27 Cb 1.07 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1irg h LEU 27 CO 1.12 0.18 -0.51 0.59 0.09 0.00 0.00 178.44 179.91 1irg n ASN 28 N -4.19 -3.20 0.08 -0.43 3.02 -1.07 -4.99 115.26 104.48 1irg n ASN 28 Ca -0.02 -2.99 0.19 0.00 -0.03 0.00 0.00 54.58 51.72 1irg n ASN 28 Cb 0.25 1.68 0.73 0.00 -0.61 0.00 0.00 39.78 41.82 1irg n ASN 28 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1irg h LYS 29 N 4.77 0.00 -0.20 3.52 1.63 -1.74 0.22 116.57 124.77 1irg h LYS 29 Ca 0.02 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1irg h LYS 29 Cb 1.08 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.68 1irg h LYS 29 CO 0.10 0.00 0.01 1.05 -3.45 0.00 0.00 179.45 177.16 1irg h GLU 30 N 0.00 0.08 -0.00 1.90 9.09 -1.94 -0.89 114.58 122.82 1irg h GLU 30 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1irg h GLU 30 Cb 0.83 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1irg h GLU 30 CO -0.00 0.05 -0.25 1.63 0.05 0.00 0.00 179.01 180.49 1irg n LYS 31 N -5.12 0.36 -1.83 1.06 5.02 -0.26 -4.94 118.16 112.44 1irg n LYS 31 Ca -0.02 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1irg n LYS 31 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1irg n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1irg n LYS 32 N -1.18 0.00 -4.57 1.97 3.00 0.62 -3.99 118.16 114.01 1irg n LYS 32 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.08 1irg n LYS 32 Cb 0.32 -2.29 -0.16 0.00 0.00 0.00 0.00 35.03 32.91 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1irg s ILE 33 N -2.84 2.50 -0.04 3.15 1.09 -0.62 -0.59 121.20 123.86 1irg s ILE 33 Ca 0.00 -0.83 0.02 0.00 -1.10 0.00 0.00 60.65 58.74 1irg s ILE 33 Cb 0.00 -2.04 0.01 0.00 -1.06 0.00 0.00 42.46 39.37 1irg s ILE 33 CO 0.00 0.52 -0.09 0.72 -0.10 0.00 0.00 174.94 176.00 1irg s PHE 34 N 0.82 1.01 -0.04 3.97 -0.12 -0.61 0.17 117.98 123.17 1irg s PHE 34 Ca -0.06 -0.29 0.05 0.00 -0.05 0.00 0.00 56.93 56.58 1irg s PHE 34 Cb -0.15 -0.76 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 1irg s PHE 34 CO -0.01 -0.16 -0.18 1.14 -0.05 0.00 0.00 175.22 175.96 1irg s GLN 35 N 0.48 2.38 0.25 1.99 1.03 -0.41 0.15 119.66 125.53 1irg s GLN 35 Ca -0.08 -0.77 0.10 0.00 0.04 0.00 0.00 55.36 54.66 1irg s GLN 35 Cb -0.12 -2.27 -0.05 0.00 0.03 0.00 0.00 33.01 30.60 1irg s GLN 35 CO 0.01 0.60 -0.11 0.42 -2.54 0.00 0.00 175.29 173.67 1irg s ILE 36 N -0.69 2.96 -0.00 3.63 1.01 -0.82 -1.49 121.20 125.79 1irg s ILE 36 Ca 0.11 -2.05 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 1irg s ILE 36 Cb -0.10 -2.54 -0.33 0.00 0.01 0.00 0.00 42.46 39.51 1irg s ILE 36 CO 0.00 -0.31 0.86 1.55 0.00 0.00 0.00 174.94 177.04 1irg h PRO 37 N 2.34 0.44 0.00 2.79 0.13 -1.87 0.25 132.00 136.08 1irg h PRO 37 Ca -0.43 -0.75 0.00 0.00 -0.87 0.00 0.00 66.00 63.95 1irg h PRO 37 Cb 1.24 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.65 1irg h PRO 37 CO 0.58 1.35 0.00 0.91 -0.23 0.00 0.00 178.00 180.61 1irg n TRP 38 N -3.63 0.00 -2.74 1.56 7.02 -1.26 -4.37 117.44 114.02 1irg n TRP 38 Ca -0.19 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.25 1irg n TRP 38 Cb 1.08 0.04 0.08 0.00 -2.42 0.00 0.00 31.31 30.10 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 7.79 1.45 0.00 -0.99 0.00 -1.26 -3.86 117.12 120.24 1irg n MET 39 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 57.70 55.14 1irg n MET 39 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 32.49 1irg n MET 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1irg n HIS 40 N -0.80 0.00 0.00 3.17 8.25 -1.26 -3.96 115.22 120.62 1irg n HIS 40 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1irg n HIS 40 Cb 0.83 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irg n ALA 41 N 3.78 0.00 -2.82 -1.41 0.00 -1.26 -5.11 120.51 113.69 1irg n ALA 41 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1irg n ALA 41 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg s ALA 42 N 0.00 3.42 0.59 0.00 0.00 -1.25 -4.94 121.76 119.58 1irg s ALA 42 Ca 0.00 -0.76 0.34 0.00 0.00 0.00 0.00 51.96 51.54 1irg s ALA 42 Cb 0.00 -1.96 1.27 0.00 0.00 0.00 0.00 23.12 22.43 1irg s ALA 42 CO 0.00 0.14 1.51 -0.09 0.00 0.00 0.00 175.76 177.33 1irg h ARG 43 N 6.77 0.00 0.00 0.00 1.12 -1.98 -3.39 114.38 116.90 1irg h ARG 43 Ca -0.37 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1irg h ARG 43 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 1irg h ARG 43 CO 0.70 0.00 0.00 1.58 -3.11 0.00 0.00 179.97 179.14 1irg n HIS 44 N -3.57 -0.64 0.00 2.20 -0.00 -1.26 -5.14 115.22 106.80 1irg n HIS 44 Ca 0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1irg n HIS 44 Cb 1.47 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 31.50 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irg n GLY 45 N -0.76 1.29 2.43 1.57 0.00 -1.26 -4.76 105.19 103.70 1irg n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.94 0.00 1.61 2.14 -1.26 -4.01 117.44 113.99 1irg n TRP 46 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1irg n TRP 46 Cb 0.00 -0.97 0.00 0.00 -0.81 0.00 0.00 31.31 29.53 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 -1.43 0.00 -3.21 -0.67 8.00 -1.26 -4.95 116.55 113.03 1irg n ASP 47 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1irg n ASP 47 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.84 0.00 2.53 0.31 -1.26 -4.61 118.33 114.46 1irg n VAL 48 Ca 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 64.34 61.28 1irg n VAL 48 Cb 0.00 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1irg n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1irg n GLU 49 N 2.47 1.13 -0.04 5.55 1.02 -1.26 -4.31 120.64 125.20 1irg n GLU 49 Ca 0.25 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 1irg n GLU 49 Cb 0.51 -0.84 -0.08 0.00 -0.02 0.00 0.00 31.44 31.01 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1irg h LYS 50 N 0.00 0.55 -0.65 3.49 1.57 -1.92 -3.10 116.57 116.52 1irg h LYS 50 Ca 0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1irg h LYS 50 Cb 0.68 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1irg h LYS 50 CO 0.00 1.05 0.00 -3.47 -0.57 0.00 0.00 179.45 176.46 1irg n ASP 51 N -4.23 4.24 0.09 0.86 -0.08 -1.25 -4.24 116.55 111.95 1irg n ASP 51 Ca -0.07 -2.37 0.09 0.00 -1.51 0.00 0.00 54.79 50.93 1irg n ASP 51 Cb 0.59 -0.54 -0.01 0.00 2.34 0.00 0.00 41.12 43.50 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1irg h ALA 52 N 4.01 0.54 -0.02 -1.67 0.00 -1.73 -3.27 119.26 117.11 1irg h ALA 52 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1irg h ALA 52 Cb 1.29 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1irg h ALA 52 CO 0.19 0.17 -0.72 -1.00 0.00 0.00 0.00 179.25 177.90 1irg h PRO 53 N 0.00 0.53 0.16 0.00 0.13 -1.74 -3.18 132.00 127.89 1irg h PRO 53 Ca -0.03 -0.54 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1irg h PRO 53 Cb 1.11 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1irg h PRO 53 CO 0.01 1.17 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.80 1irg h LEU 54 N 0.10 -0.18 -1.60 1.56 4.07 -1.85 -2.96 115.31 114.46 1irg h LEU 54 Ca -0.08 -0.36 0.47 0.00 0.08 0.00 0.00 57.88 57.98 1irg h LEU 54 Cb 1.40 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 43.12 1irg h LEU 54 CO 0.14 0.35 1.15 0.49 -1.08 0.00 0.00 178.44 179.49 1irg n PHE 55 N -4.94 0.02 -0.03 1.13 3.01 -1.23 0.14 117.46 115.56 1irg n PHE 55 Ca -0.08 0.02 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 1irg n PHE 55 Cb 0.27 -0.42 -0.11 0.00 -0.01 0.00 0.00 39.48 39.21 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 -0.03 -0.70 -1.08 1.12 -1.50 -3.09 114.38 109.10 1irg h ARG 56 Ca 0.77 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.84 1irg h ARG 56 Cb 3.06 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 33.00 1irg h ARG 56 CO -0.02 0.65 1.00 -2.95 -3.11 0.00 0.00 179.97 175.54 1irg h ASN 57 N -0.78 0.00 0.00 -3.80 7.08 0.12 -2.68 115.58 115.53 1irg h ASN 57 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1irg h ASN 57 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.94 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 -3.19 0.00 0.00 4.14 5.03 -1.17 -0.97 117.44 121.28 1irg n TRP 58 Ca 0.15 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.68 1irg n TRP 58 Cb 1.22 -0.29 0.00 0.00 -1.03 0.00 0.00 31.31 31.20 1irg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1irg n ALA 59 N -2.11 0.00 -0.32 6.99 0.00 -1.01 0.12 120.51 124.17 1irg n ALA 59 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1irg n ALA 59 Cb 0.00 0.21 0.55 0.00 0.00 0.00 0.00 19.45 20.21 1irg n ALA 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1irg h ILE 60 N 0.00 0.07 -5.31 0.00 1.08 -1.68 -3.02 117.51 108.64 1irg h ILE 60 Ca 0.00 -0.03 -0.47 0.00 -0.39 0.00 0.00 64.86 63.98 1irg h ILE 60 Cb 0.00 -0.01 0.10 0.00 -3.07 0.00 0.00 36.82 33.84 1irg h ILE 60 CO 0.00 0.01 0.17 1.57 -0.69 0.00 0.00 178.15 179.21 1irg n HIS 61 N -5.23 -3.10 -1.19 1.37 -0.00 0.31 -4.18 115.22 103.20 1irg n HIS 61 Ca 0.36 -1.70 -0.10 0.00 0.46 0.00 0.00 57.72 56.74 1irg n HIS 61 Cb 1.19 -0.79 -0.04 0.00 -0.12 0.00 0.00 29.99 30.22 1irg n HIS 61 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1irg n THR 62 N -3.05 0.00 -4.24 3.57 -2.24 -1.25 -2.52 114.28 104.56 1irg n THR 62 Ca 0.17 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.65 1irg n THR 62 Cb 0.60 -1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 1irg n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1irg n GLY 63 N -0.01 -0.12 0.50 3.38 0.00 -1.26 -4.78 105.19 102.90 1irg n GLY 63 Ca -0.10 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1irg n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irg n LYS 64 N -4.42 1.55 0.00 1.61 4.81 -1.05 -5.03 118.16 115.64 1irg n LYS 64 Ca -0.31 -1.11 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 1irg n LYS 64 Cb 0.67 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.41 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1irg n HIS 65 N 0.34 0.00 -4.05 5.64 -0.00 -1.19 -4.93 115.22 111.02 1irg n HIS 65 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.63 1irg n HIS 65 Cb 0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.21 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 0.48 0.11 1.57 -0.21 -1.26 -4.05 119.66 114.30 1irg s GLN 66 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1irg s GLN 66 Cb 0.00 -0.55 -0.06 0.00 1.00 0.00 0.00 33.01 33.40 1irg s GLN 66 CO 0.00 -0.06 1.03 -1.25 -2.12 0.00 0.00 175.29 172.90 1irg s PRO 67 N 0.68 4.62 0.00 2.91 0.04 -1.26 -2.70 135.00 139.29 1irg s PRO 67 Ca -0.08 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1irg s PRO 67 Cb -0.11 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1irg s PRO 67 CO -0.01 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1irg n GLY 68 N 2.37 0.72 0.92 0.56 0.00 -1.26 -4.84 105.19 103.67 1irg n GLY 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.51 0.00 -4.35 -0.61 -0.00 -1.19 -5.12 119.36 105.57 1irg n ILE 69 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 1irg n ILE 69 Cb 0.00 -0.54 -0.10 0.00 -0.00 0.00 0.00 39.64 39.00 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 -4.26 1.58 0.53 4.38 1.01 -1.10 -5.07 116.67 113.75 1irg s ASP 70 Ca 0.00 -1.49 -0.17 0.00 0.71 0.00 0.00 52.55 51.59 1irg s ASP 70 Cb 0.00 0.28 -0.07 0.00 1.01 0.00 0.00 42.92 44.15 1irg s ASP 70 CO 0.00 -0.82 1.02 -1.59 0.21 0.00 0.00 175.17 174.00 1irg s LYS 71 N -3.89 3.69 0.08 8.23 0.00 -1.26 -4.76 119.74 121.83 1irg s LYS 71 Ca 0.35 1.15 -0.30 0.00 0.00 0.00 0.00 55.97 57.17 1irg s LYS 71 Cb 0.06 -2.09 -0.05 0.00 0.00 0.00 0.00 37.83 35.75 1irg s LYS 71 CO 0.16 -0.50 1.03 -1.25 0.00 0.00 0.00 175.35 174.80 1irg s PRO 72 N -3.83 4.59 -0.40 1.78 0.04 -1.26 -4.92 135.00 130.99 1irg s PRO 72 Ca 0.63 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1irg s PRO 72 Cb -0.13 -3.38 0.11 0.00 0.04 0.00 0.00 34.50 31.14 1irg s PRO 72 CO 0.30 0.02 0.13 -0.51 0.04 0.00 0.00 177.00 176.98 1irg s ASP 73 N 0.48 4.73 0.00 6.66 1.01 -1.26 -4.93 116.67 123.36 1irg s ASP 73 Ca 0.51 -2.38 0.05 0.00 0.71 0.00 0.00 52.55 51.44 1irg s ASP 73 Cb -0.25 -1.66 0.31 0.00 1.01 0.00 0.00 42.92 42.33 1irg s ASP 73 CO 0.30 -0.36 1.14 -0.81 0.21 0.00 0.00 175.17 175.65 1irg n PRO 74 N 3.98 0.94 -0.09 8.23 -0.04 -1.26 -3.55 135.00 143.21 1irg n PRO 74 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1irg n PRO 74 Cb 0.39 -1.09 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 1irg n PRO 74 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1irg h LYS 75 N 0.00 0.02 0.00 0.54 3.11 -2.02 -3.36 116.57 114.86 1irg h LYS 75 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1irg h LYS 75 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1irg h LYS 75 CO 0.00 1.02 0.00 1.15 -2.81 0.00 0.00 179.45 178.81 1irg h THR 76 N -0.93 0.00 0.00 1.00 2.02 -2.01 -3.03 112.91 109.97 1irg h THR 76 Ca -0.27 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1irg h THR 76 Cb 1.29 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1irg h THR 76 CO -0.14 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.54 1irg n TRP 77 N -2.75 0.00 -0.01 3.16 8.01 -1.23 -2.14 117.44 122.47 1irg n TRP 77 Ca 0.04 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.24 1irg n TRP 77 Cb 0.45 -0.48 -0.05 0.00 -2.01 0.00 0.00 31.31 29.21 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 1.13 0.13 -0.99 4.81 -1.15 -4.47 118.16 116.14 1irg n LYS 78 Ca 0.02 -0.04 -0.24 0.00 -0.87 0.00 0.00 58.31 57.17 1irg n LYS 78 Cb 0.09 -1.17 -0.16 0.00 0.02 0.00 0.00 35.03 33.82 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1irg h ALA 79 N 0.54 -0.13 0.00 3.14 0.00 -1.48 -3.22 119.26 118.12 1irg h ALA 79 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1irg h ALA 79 Cb 0.69 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1irg h ALA 79 CO 0.00 0.70 0.00 0.09 0.00 0.00 0.00 179.25 180.04 1irg n ASN 80 N -3.75 0.00 -0.09 0.00 5.03 -0.91 -3.16 115.26 112.39 1irg n ASN 80 Ca -0.18 -0.77 -0.14 0.00 0.87 0.00 0.00 54.58 54.36 1irg n ASN 80 Cb 1.08 -0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.76 1irg n ASN 80 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1irg h PHE 81 N 0.00 0.00 0.00 3.10 3.04 -1.77 -3.34 116.94 117.96 1irg h PHE 81 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1irg h PHE 81 Cb 0.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1irg h PHE 81 CO 0.00 0.83 0.00 -0.09 -2.02 0.00 0.00 178.31 177.03 1irg h ARG 82 N -1.00 0.00 -0.51 1.11 1.12 -1.62 -1.74 114.38 111.75 1irg h ARG 82 Ca -0.19 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.57 1irg h ARG 82 Cb 0.94 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 1irg h ARG 82 CO -0.12 0.00 -0.10 0.00 -3.11 0.00 0.00 179.97 176.64 1irg h ALA 84 N 1.04 0.69 0.00 0.00 0.00 -1.43 0.77 119.26 120.33 1irg h ALA 84 Ca 0.14 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1irg h ALA 84 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1irg h ALA 84 CO 0.04 -0.24 -0.26 0.52 0.00 0.00 0.00 179.25 179.31 1irg h MET 85 N 0.33 0.00 -0.00 0.00 2.07 -1.63 -0.16 114.93 115.55 1irg h MET 85 Ca 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1irg h MET 85 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1irg h MET 85 CO -0.31 0.26 -0.20 0.09 1.07 0.00 0.00 176.91 177.81 1irg n ASN 86 N -4.19 0.23 -0.10 1.22 3.02 0.76 -4.83 115.26 111.35 1irg n ASN 86 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1irg n ASN 86 Cb 0.31 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.47 0.00 -1.59 6.41 2.88 0.23 -4.92 113.62 115.16 1irg n SER 87 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 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 -2.24 -0.22 2.46 4.32 -1.26 -4.65 117.00 115.40 1irg n LEU 88 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1irg n LEU 88 Cb 0.00 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 1irg n LEU 88 CO 0.00 -1.44 0.22 -0.81 -1.22 0.00 0.00 177.39 174.14 1irg n PRO 89 N 1.82 0.56 -0.11 3.23 -0.04 -1.26 -2.42 135.00 136.79 1irg n PRO 89 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1irg n PRO 89 Cb 0.00 -1.12 0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.18 2.52 -4.53 3.54 5.68 -1.26 -4.97 116.55 117.34 1irg n ASP 90 Ca 0.00 -1.93 -0.30 0.00 -0.50 0.00 0.00 54.79 52.05 1irg n ASP 90 Cb 0.06 -0.14 -0.11 0.00 -1.14 0.00 0.00 41.12 39.80 1irg n ASP 90 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1irg s ILE 91 N -0.96 3.18 -0.07 2.12 2.07 -1.01 -0.86 121.20 125.66 1irg s ILE 91 Ca 0.15 -1.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 1irg s ILE 91 Cb 0.08 -2.43 0.02 0.00 0.13 0.00 0.00 42.46 40.26 1irg s ILE 91 CO 0.10 0.21 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.58 1irg s GLU 92 N -1.87 1.23 0.20 3.50 2.12 0.10 -4.91 118.70 119.07 1irg s GLU 92 Ca 0.18 -0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1irg s GLU 92 Cb -0.11 -1.22 -0.08 0.00 0.26 0.00 0.00 34.13 32.98 1irg s GLU 92 CO 0.10 -0.14 1.04 -1.83 -0.54 0.00 0.00 175.26 173.89 1irg s GLU 93 N 1.24 4.68 -0.38 4.30 -1.05 -1.26 0.27 118.70 126.50 1irg s GLU 93 Ca -0.05 1.65 0.02 0.00 -0.15 0.00 0.00 54.97 56.44 1irg s GLU 93 Cb -0.14 -3.27 0.15 0.00 -0.44 0.00 0.00 34.13 30.43 1irg s GLU 93 CO -0.02 0.22 0.28 0.08 0.95 0.00 0.00 175.26 176.77 1irg s VAL 94 N -0.61 0.18 -0.63 1.83 1.01 0.25 -4.88 120.40 117.55 1irg s VAL 94 Ca 0.46 -2.07 0.04 0.00 0.00 0.00 0.00 61.98 60.41 1irg s VAL 94 Cb -0.28 -1.14 0.26 0.00 0.00 0.00 0.00 36.38 35.22 1irg s VAL 94 CO 0.35 -1.07 0.99 2.29 0.00 0.00 0.00 175.10 177.66 1irg n LYS 95 N 3.53 2.11 -2.29 2.72 2.85 -1.26 -0.72 118.16 125.09 1irg n LYS 95 Ca 0.20 -1.02 -0.01 0.00 -1.05 0.00 0.00 58.31 56.43 1irg n LYS 95 Cb 0.42 -1.68 -0.01 0.00 -0.65 0.00 0.00 35.03 33.12 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 0.16 -8.07 0.00 -5.58 8.00 -1.26 -4.74 116.55 105.06 1irg n ASP 96 Ca 0.11 1.69 0.00 0.00 0.71 0.00 0.00 54.79 57.30 1irg n ASP 96 Cb 0.63 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 1.70 0.00 -2.73 -1.24 1.74 -1.26 -4.39 116.66 110.48 1irg n ARG 97 Ca -0.05 0.66 -0.04 0.00 -0.77 0.00 0.00 57.85 57.66 1irg n ARG 97 Cb 0.07 -1.25 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.86 0.01 0.00 0.55 7.64 -1.26 -5.01 113.62 113.69 1irg n SER 98 Ca 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1irg n SER 98 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.77 0.00 -2.07 0.44 2.08 -1.26 -4.89 119.36 112.89 1irg n ILE 99 Ca -0.02 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.02 1irg n ILE 99 Cb 0.84 -0.50 -0.05 0.00 -0.75 0.00 0.00 39.64 39.18 1irg n ILE 99 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1irg s LYS 100 N -0.08 2.56 -0.24 0.38 2.20 -1.26 -4.33 119.74 118.98 1irg s LYS 100 Ca 0.00 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.09 1irg s LYS 100 Cb 0.00 -5.13 0.27 0.00 -1.51 0.00 0.00 37.83 31.46 1irg s LYS 100 CO 0.00 -3.55 1.20 0.36 -0.36 0.00 0.00 175.35 173.00 1irg n LYS 101 N 8.67 0.89 -0.08 4.03 2.85 -1.26 -3.75 118.16 129.50 1irg n LYS 101 Ca 0.42 -0.87 -0.14 0.00 -1.05 0.00 0.00 58.31 56.66 1irg n LYS 101 Cb 0.47 0.24 -0.09 0.00 -0.65 0.00 0.00 35.03 35.00 1irg n LYS 101 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1irg h GLY 102 N 0.79 0.00 -2.70 2.58 0.00 -1.99 -3.43 103.07 98.32 1irg h GLY 102 Ca -0.31 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1irg h GLY 102 CO -0.13 0.00 -0.96 0.70 0.00 0.00 0.00 176.54 176.16 1irg n ASN 103 N -4.56 0.86 0.00 0.19 4.13 -1.26 -4.98 115.26 109.64 1irg n ASN 103 Ca -0.17 -2.01 0.00 0.00 1.68 0.00 0.00 54.58 54.08 1irg n ASN 103 Cb 0.47 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 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 0.42 0.00 -2.81 6.41 3.02 -1.26 -5.11 115.26 115.93 1irg n ASN 104 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.57 1irg n ASN 104 Cb 1.08 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 40.38 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 -1.48 -3.24 -2.02 5.41 0.00 -1.25 -4.88 120.51 113.05 1irg n ALA 105 Ca 0.00 0.64 -0.21 0.00 0.00 0.00 0.00 53.44 53.86 1irg n ALA 105 Cb 0.00 -1.71 0.09 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.84 1.24 -0.82 0.00 0.08 -1.26 -4.78 117.98 110.60 1irg s PHE 106 Ca 0.07 -0.61 -0.08 0.00 0.12 0.00 0.00 56.93 56.43 1irg s PHE 106 Cb -0.02 -2.51 0.21 0.00 -0.57 0.00 0.00 43.02 40.13 1irg s PHE 106 CO 0.73 -1.50 0.72 0.50 -0.10 0.00 0.00 175.22 175.57 1irg s ARG 107 N -4.91 3.34 -0.57 0.44 3.52 0.08 -4.24 118.95 116.61 1irg s ARG 107 Ca 0.65 -2.70 -0.28 0.00 -0.13 0.00 0.00 55.73 53.27 1irg s ARG 107 Cb -0.05 -4.18 0.01 0.00 -1.56 0.00 0.00 34.95 29.18 1irg s ARG 107 CO 0.42 -1.25 1.46 0.08 -0.81 0.00 0.00 175.30 175.20 1irg s VAL 108 N -0.31 3.74 -0.73 7.11 1.01 0.10 -1.95 120.40 129.36 1irg s VAL 108 Ca 0.21 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 1irg s VAL 108 Cb -0.13 -4.39 0.11 0.00 0.00 0.00 0.00 36.38 31.97 1irg s VAL 108 CO -0.08 -1.16 0.92 -0.31 0.00 0.00 0.00 175.10 174.47 1irg s TYR 109 N 6.31 3.00 -0.21 5.22 2.02 0.12 0.85 117.35 134.66 1irg s TYR 109 Ca 0.54 -1.06 -0.26 0.00 -0.37 0.00 0.00 57.07 55.92 1irg s TYR 109 Cb -0.11 -4.17 -0.00 0.00 -0.40 0.00 0.00 41.96 37.28 1irg s TYR 109 CO 0.24 -1.44 0.91 0.50 -1.57 0.00 0.00 175.55 174.19 1irg s ARG 110 N 2.89 4.25 0.10 -0.62 3.52 0.14 -1.57 118.95 127.66 1irg s ARG 110 Ca 0.22 1.12 -0.02 0.00 -0.13 0.00 0.00 55.73 56.92 1irg s ARG 110 Cb -0.15 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 1irg s ARG 110 CO 0.01 -0.49 0.28 -1.64 -0.81 0.00 0.00 175.30 172.65 1irg s MET 111 N 2.73 3.51 0.37 5.12 -1.94 0.24 0.03 119.30 129.36 1irg s MET 111 Ca 0.39 -0.31 -0.09 0.00 -1.71 0.00 0.00 55.69 53.98 1irg s MET 111 Cb -0.16 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.66 1irg s MET 111 CO 0.09 0.55 0.71 -0.51 -0.01 0.00 0.00 175.02 175.85 1irg s LEU 112 N -2.60 3.89 0.00 -0.03 1.43 -0.04 -4.44 118.68 116.90 1irg s LEU 112 Ca 0.37 1.02 0.28 0.00 -1.03 0.00 0.00 54.13 54.77 1irg s LEU 112 Cb -0.13 -3.88 1.65 0.00 0.03 0.00 0.00 46.19 43.86 1irg s LEU 112 CO 0.27 -0.34 1.99 -0.81 0.23 0.00 0.00 176.35 177.69