#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 0.00 -0.41 0.52 -7.23 -1.26 -5.12 120.40 106.91 1irg s VAL 3 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1irg s VAL 3 Cb 0.00 -1.00 0.14 0.00 0.56 0.00 0.00 36.38 36.08 1irg s VAL 3 CO 0.00 0.00 0.23 -1.61 -0.31 0.00 0.00 175.10 173.41 1irg s GLU 4 N 1.21 1.01 -0.46 4.82 2.02 -1.26 -4.99 118.70 121.06 1irg s GLU 4 Ca -0.08 -1.76 0.07 0.00 0.02 0.00 0.00 54.97 53.21 1irg s GLU 4 Cb -0.04 -1.95 0.24 0.00 0.10 0.00 0.00 34.13 32.49 1irg s GLU 4 CO -0.14 -1.18 0.76 2.89 0.02 0.00 0.00 175.26 177.61 1irg n ARG 5 N 3.71 0.74 -1.01 1.61 -4.01 -1.26 -5.14 116.66 111.29 1irg n ARG 5 Ca 0.10 -2.23 -0.31 0.00 -1.04 0.00 0.00 57.85 54.37 1irg n ARG 5 Cb 0.36 -1.39 0.13 0.00 -3.04 0.00 0.00 32.46 28.51 1irg n ARG 5 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 1irg s MET 6 N 0.11 1.69 0.24 2.89 -1.94 -1.26 -5.05 119.30 115.97 1irg s MET 6 Ca 0.33 1.32 -0.18 0.00 -1.71 0.00 0.00 55.69 55.45 1irg s MET 6 Cb 0.20 -1.82 0.02 0.00 2.01 0.00 0.00 34.83 35.24 1irg s MET 6 CO -0.20 -2.09 0.58 0.50 -0.01 0.00 0.00 175.02 173.80 1irg s ARG 7 N -4.79 1.56 0.23 2.03 6.06 -1.26 -5.04 118.95 117.74 1irg s ARG 7 Ca 0.64 -1.00 -0.02 0.00 -2.50 0.00 0.00 55.73 52.84 1irg s ARG 7 Cb -0.20 0.54 0.24 0.00 0.06 0.00 0.00 34.95 35.60 1irg s ARG 7 CO 0.57 -0.68 1.65 1.98 -2.50 0.00 0.00 175.30 176.32 1irg h MET 8 N 2.14 0.68 0.35 5.12 1.85 -1.98 -1.14 114.93 121.95 1irg h MET 8 Ca -0.25 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.56 1irg h MET 8 Cb 1.26 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 1irg h MET 8 CO 0.32 0.86 -0.37 0.00 -0.40 0.00 0.00 176.91 177.33 1irg h ARG 9 N 0.60 -0.72 -0.12 0.39 2.47 -2.00 -1.50 114.38 113.50 1irg h ARG 9 Ca 0.08 0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.72 1irg h ARG 9 Cb 0.73 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1irg h ARG 9 CO 0.06 -0.48 -0.50 -1.00 0.56 0.00 0.00 179.97 178.61 1irg h PRO 10 N -0.75 0.32 -0.67 0.04 0.13 -1.97 -1.72 132.00 127.37 1irg h PRO 10 Ca -0.02 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1irg h PRO 10 Cb 0.68 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1irg h PRO 10 CO -0.07 0.75 0.44 2.35 -0.23 0.00 0.00 178.00 181.23 1irg h TRP 11 N 0.25 0.85 -0.02 1.56 7.01 -0.96 0.19 115.95 124.83 1irg h TRP 11 Ca 0.01 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1irg h TRP 11 Cb 0.97 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.74 1irg h TRP 11 CO 0.02 0.55 -0.03 1.25 -2.79 0.00 0.00 178.44 177.44 1irg h LEU 12 N 0.91 0.07 -2.05 0.65 5.85 -1.16 -1.66 115.31 117.92 1irg h LEU 12 Ca 0.24 -0.53 0.08 0.00 0.84 0.00 0.00 57.88 58.51 1irg h LEU 12 Cb -0.09 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1irg h LEU 12 CO -0.05 0.59 0.36 -0.08 -0.34 0.00 0.00 178.44 178.92 1irg h GLU 13 N -0.45 0.00 0.03 1.25 4.81 -1.02 -0.69 114.58 118.52 1irg h GLU 13 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1irg h GLU 13 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1irg h GLU 13 CO 0.01 0.00 -0.02 0.93 -0.73 0.00 0.00 179.01 179.20 1irg h GLU 14 N 0.00 -0.04 -0.49 1.92 4.39 -0.11 -1.37 114.58 118.88 1irg h GLU 14 Ca 0.12 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.92 1irg h GLU 14 Cb 0.85 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.44 1irg h GLU 14 CO -0.00 0.62 0.04 1.96 -1.16 0.00 0.00 179.01 180.47 1irg h GLN 15 N -0.92 0.16 0.03 2.33 1.08 -0.24 0.33 115.11 117.88 1irg h GLN 15 Ca -0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1irg h GLN 15 Cb 0.68 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1irg h GLN 15 CO 0.01 0.10 -0.02 0.82 -0.95 0.00 0.00 178.83 178.80 1irg h ILE 16 N 0.16 1.12 0.00 2.54 2.04 -1.38 -0.61 117.51 121.37 1irg h ILE 16 Ca 0.24 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1irg h ILE 16 Cb 0.35 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1irg h ILE 16 CO -0.37 0.12 0.00 0.78 0.00 0.00 0.00 178.15 178.68 1irg h ASN 17 N -0.25 0.00 0.34 1.72 4.21 -0.62 -2.19 115.58 118.79 1irg h ASN 17 Ca -0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.18 1irg h ASN 17 Cb 0.23 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.39 1irg h ASN 17 CO 0.01 0.00 -1.83 -1.54 -1.29 0.00 0.00 177.43 172.78 1irg n SER 18 N -2.36 1.39 -1.51 5.81 3.41 0.11 -5.01 113.62 115.45 1irg n SER 18 Ca -0.00 0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 58.93 1irg n SER 18 Cb 0.12 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1irg n SER 18 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1irg n ASN 19 N -3.23 -2.15 -0.10 4.04 2.85 -0.30 -5.02 115.26 111.35 1irg n ASN 19 Ca -0.23 -0.03 -0.18 0.00 -0.11 0.00 0.00 54.58 54.04 1irg n ASN 19 Cb 1.05 -0.67 -0.07 0.00 1.24 0.00 0.00 39.78 41.32 1irg n ASN 19 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1irg n THR 20 N -1.52 1.50 -3.66 -0.44 -2.24 -1.23 -4.89 114.28 101.81 1irg n THR 20 Ca -0.00 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 1irg n THR 20 Cb 0.50 -2.13 -0.08 0.00 -2.10 0.00 0.00 70.33 66.52 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1irg s ILE 21 N -2.47 5.37 -0.11 2.28 1.01 -1.26 -4.96 121.20 121.06 1irg s ILE 21 Ca -0.28 0.30 0.30 0.00 0.00 0.00 0.00 60.65 60.96 1irg s ILE 21 Cb 0.07 -3.53 0.37 0.00 0.01 0.00 0.00 42.46 39.38 1irg s ILE 21 CO 0.45 0.40 1.86 1.55 0.00 0.00 0.00 174.94 179.20 1irg h PRO 22 N 6.87 0.00 0.00 2.79 0.13 -2.01 -2.65 132.00 137.14 1irg h PRO 22 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1irg h PRO 22 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1irg h PRO 22 CO 0.74 0.00 -0.34 0.41 -0.23 0.00 0.00 178.00 178.58 1irg n GLY 23 N 0.36 -1.34 3.15 1.56 0.00 -1.26 -4.76 105.19 102.90 1irg n GLY 23 Ca 0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.07 1.92 0.00 0.99 2.96 -1.00 -1.01 118.68 119.47 1irg s LEU 24 Ca 0.12 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.37 1irg s LEU 24 Cb 0.18 -1.16 0.07 0.00 0.50 0.00 0.00 46.19 45.78 1irg s LEU 24 CO 0.65 0.12 0.98 2.29 -1.32 0.00 0.00 176.35 179.07 1irg n LYS 25 N 3.53 0.21 -2.87 1.98 -0.00 -0.49 -4.54 118.16 115.97 1irg n LYS 25 Ca -0.20 -0.71 -0.43 0.00 -0.00 0.00 0.00 58.31 56.97 1irg n LYS 25 Cb 0.52 1.12 -0.04 0.00 -0.00 0.00 0.00 35.03 36.63 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 -2.35 2.72 0.50 5.58 0.52 -1.26 -0.76 118.94 123.89 1irg s TRP 26 Ca 0.23 -0.42 0.18 0.00 0.02 0.00 0.00 56.10 56.11 1irg s TRP 26 Cb -0.01 -4.20 1.24 0.00 -1.15 0.00 0.00 33.47 29.36 1irg s TRP 26 CO 0.00 -1.54 2.06 -0.07 0.02 0.00 0.00 176.95 177.42 1irg h LEU 27 N 11.17 0.09 -5.12 2.99 3.38 0.08 -3.32 115.31 124.58 1irg h LEU 27 Ca -0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.48 1irg h LEU 27 Cb 1.07 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 1irg h LEU 27 CO 1.15 0.06 -0.54 0.59 0.09 0.00 0.00 178.44 179.79 1irg n ASN 28 N -4.47 -3.04 0.29 -0.43 4.13 -0.96 -4.97 115.26 105.80 1irg n ASN 28 Ca 0.04 -2.96 0.18 0.00 1.68 0.00 0.00 54.58 53.52 1irg n ASN 28 Cb 0.31 1.55 0.97 0.00 -1.54 0.00 0.00 39.78 41.07 1irg n ASN 28 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1irg h LYS 29 N 4.81 0.00 -0.44 3.52 3.11 -1.74 0.36 116.57 126.19 1irg h LYS 29 Ca 0.03 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1irg h LYS 29 Cb 1.07 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 1irg h LYS 29 CO 0.12 0.00 0.26 1.49 -2.81 0.00 0.00 179.45 178.50 1irg h GLU 30 N 0.00 0.60 -0.69 1.90 4.81 -1.93 -2.21 114.58 117.06 1irg h GLU 30 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1irg h GLU 30 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1irg h GLU 30 CO 0.00 0.46 0.00 1.63 -0.73 0.00 0.00 179.01 180.37 1irg n LYS 31 N -4.72 2.75 -2.60 1.92 5.02 -0.20 -4.97 118.16 115.36 1irg n LYS 31 Ca 0.01 -2.60 -0.09 0.00 -2.02 0.00 0.00 58.31 53.61 1irg n LYS 31 Cb 0.06 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.53 -1.99 -4.20 1.97 4.76 -0.06 -4.59 118.16 115.59 1irg n LYS 32 Ca 0.23 0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 55.84 1irg n LYS 32 Cb 0.60 -4.13 -0.16 0.00 -1.84 0.00 0.00 35.03 29.51 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 -3.22 2.32 -0.07 -0.18 1.09 -0.47 -0.43 121.20 120.23 1irg s ILE 33 Ca 0.19 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 1irg s ILE 33 Cb -0.03 -1.98 0.01 0.00 -1.06 0.00 0.00 42.46 39.40 1irg s ILE 33 CO 0.43 0.52 -0.14 0.72 -0.10 0.00 0.00 174.94 176.37 1irg s PHE 34 N 1.21 1.63 -0.02 3.97 -0.71 -0.01 0.82 117.98 124.87 1irg s PHE 34 Ca 0.03 -0.61 -0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1irg s PHE 34 Cb -0.14 -1.17 -0.04 0.00 -1.21 0.00 0.00 43.02 40.47 1irg s PHE 34 CO -0.09 -0.30 0.04 1.14 -1.34 0.00 0.00 175.22 174.68 1irg s GLN 35 N 0.60 2.97 0.13 1.99 -2.07 0.06 -0.47 119.66 122.87 1irg s GLN 35 Ca -0.15 -0.50 0.09 0.00 -1.82 0.00 0.00 55.36 52.98 1irg s GLN 35 Cb -0.16 -2.80 -0.04 0.00 -1.09 0.00 0.00 33.01 28.92 1irg s GLN 35 CO 0.05 0.65 -0.15 0.42 -1.32 0.00 0.00 175.29 174.94 1irg s ILE 36 N -1.10 2.99 0.01 3.63 1.01 -0.71 -1.40 121.20 125.64 1irg s ILE 36 Ca 0.20 -1.49 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 1irg s ILE 36 Cb -0.12 -2.40 -0.30 0.00 0.01 0.00 0.00 42.46 39.66 1irg s ILE 36 CO 0.10 0.07 0.90 1.55 0.00 0.00 0.00 174.94 177.56 1irg h PRO 37 N 3.57 0.34 0.00 2.79 0.13 -1.38 0.15 132.00 137.59 1irg h PRO 37 Ca -0.49 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 1irg h PRO 37 Cb 1.17 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1irg h PRO 37 CO 0.49 1.24 0.00 0.91 -0.23 0.00 0.00 178.00 180.40 1irg n TRP 38 N -3.54 0.00 -4.06 1.56 7.02 -1.24 -4.54 117.44 112.64 1irg n TRP 38 Ca -0.17 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 55.98 1irg n TRP 38 Cb 1.06 0.04 -0.15 0.00 -2.42 0.00 0.00 31.31 29.83 1irg n TRP 38 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1irg s MET 39 N 0.00 2.79 -0.11 -0.99 -2.45 -1.06 -4.42 119.30 113.07 1irg s MET 39 Ca 0.00 -0.98 0.18 0.00 -1.25 0.00 0.00 55.69 53.64 1irg s MET 39 Cb 0.00 -2.76 0.70 0.00 1.25 0.00 0.00 34.83 34.02 1irg s MET 39 CO 0.00 -0.34 1.61 1.58 1.05 0.00 0.00 175.02 178.92 1irg n HIS 40 N 4.59 1.42 -2.64 4.11 -0.00 -1.26 -4.45 115.22 116.99 1irg n HIS 40 Ca -0.18 -0.61 -0.03 0.00 0.46 0.00 0.00 57.72 57.35 1irg n HIS 40 Cb 0.47 -0.23 0.07 0.00 -0.12 0.00 0.00 29.99 30.18 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 1.07 0.39 -0.94 1.57 0.00 -1.26 -5.04 120.51 116.30 1irg n ALA 41 Ca 0.25 -0.78 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 1irg n ALA 41 Cb 0.87 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.77 -4.87 -0.39 0.00 0.00 -1.26 -4.61 120.51 108.60 1irg n ALA 42 Ca -0.13 -0.82 0.39 0.00 0.00 0.00 0.00 53.44 52.89 1irg n ALA 42 Cb 0.75 -1.25 0.76 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.18 0.00 0.00 0.00 2.43 -1.90 -2.05 114.38 111.68 1irg h ARG 43 Ca -0.44 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.54 1irg h ARG 43 Cb 1.31 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1irg h ARG 43 CO 0.26 0.00 -1.65 0.72 -1.51 0.00 0.00 179.97 177.79 1irg n HIS 44 N -4.07 0.00 0.00 2.20 8.25 -1.26 -5.05 115.22 115.29 1irg n HIS 44 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1irg n HIS 44 Cb 1.42 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 32.11 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 2.31 0.86 0.64 -1.41 0.00 -0.77 -5.01 105.19 101.81 1irg n GLY 45 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 1.61 2.14 -1.26 -4.63 117.44 115.30 1irg n TRP 46 Ca 0.00 -0.20 0.00 0.00 2.07 0.00 0.00 57.50 59.37 1irg n TRP 46 Cb 0.00 0.34 0.00 0.00 -0.81 0.00 0.00 31.31 30.84 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 0.00 0.00 -2.96 -0.67 9.92 -1.26 -5.10 116.55 116.48 1irg n ASP 47 Ca -0.11 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.01 1irg n ASP 47 Cb 0.49 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.37 -2.33 2.53 0.31 -1.26 -4.88 118.33 112.33 1irg n VAL 48 Ca 0.00 -2.27 -0.01 0.00 -0.01 0.00 0.00 64.34 62.05 1irg n VAL 48 Cb 0.00 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 2.16 -0.86 -0.28 5.55 4.71 -1.26 -4.71 120.64 125.94 1irg n GLU 49 Ca 0.18 1.13 0.01 0.00 -0.01 0.00 0.00 57.16 58.47 1irg n GLU 49 Cb 0.56 -3.83 0.08 0.00 -1.01 0.00 0.00 31.44 27.24 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1irg h LYS 50 N 0.44 -0.02 -2.68 3.49 1.79 -1.94 -2.89 116.57 114.76 1irg h LYS 50 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1irg h LYS 50 Cb 0.90 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 31.14 1irg h LYS 50 CO 0.15 -0.01 -0.64 -3.47 -1.08 0.00 0.00 179.45 174.39 1irg n ASP 51 N -5.51 2.79 -0.24 0.86 2.03 -1.26 -2.55 116.55 112.67 1irg n ASP 51 Ca 0.10 -3.18 -0.02 0.00 0.52 0.00 0.00 54.79 52.21 1irg n ASP 51 Cb 0.40 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 1.66 -0.15 -1.78 -1.67 0.00 -1.09 -2.74 120.51 114.73 1irg n ALA 52 Ca 0.24 0.58 -0.36 0.00 0.00 0.00 0.00 53.44 53.91 1irg n ALA 52 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 1irg n ALA 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1irg s PRO 53 N -5.51 4.03 0.00 0.00 0.04 -1.26 -3.21 135.00 129.08 1irg s PRO 53 Ca -0.08 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1irg s PRO 53 Cb 0.11 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1irg s PRO 53 CO 0.42 -0.26 0.00 1.28 0.04 0.00 0.00 177.00 178.48 1irg n LEU 54 N -0.34 0.00 -0.62 -3.56 4.32 -1.26 -4.54 117.00 111.00 1irg n LEU 54 Ca 0.06 0.00 0.49 0.00 -0.02 0.00 0.00 56.01 56.54 1irg n LEU 54 Cb 0.50 0.00 0.79 0.00 -1.62 0.00 0.00 43.42 43.09 1irg n LEU 54 CO 0.44 0.00 1.43 -0.26 -1.22 0.00 0.00 177.39 177.78 1irg h PHE 55 N 0.00 0.09 0.15 -1.77 -1.00 -1.53 1.38 116.94 114.26 1irg h PHE 55 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1irg h PHE 55 Cb 0.00 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1irg h PHE 55 CO 0.00 -0.04 -0.07 -0.09 -1.61 0.00 0.00 178.31 176.49 1irg h ARG 56 N 0.01 -0.19 -0.33 1.51 1.12 -1.79 -2.74 114.38 111.97 1irg h ARG 56 Ca 0.88 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.86 1irg h ARG 56 Cb 3.43 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 33.42 1irg h ARG 56 CO -0.09 0.19 0.77 -2.95 -3.11 0.00 0.00 179.97 174.78 1irg h ASN 57 N -0.64 0.00 0.00 -3.80 7.08 0.15 -3.05 115.58 115.33 1irg h ASN 57 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1irg h ASN 57 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 1irg h ASN 57 CO 0.03 0.00 0.00 0.79 -2.08 0.00 0.00 177.43 176.17 1irg n TRP 58 N -3.02 0.00 -0.31 4.14 5.03 -1.03 0.73 117.44 122.97 1irg n TRP 58 Ca 0.07 0.00 0.31 0.00 3.03 0.00 0.00 57.50 60.91 1irg n TRP 58 Cb 0.89 -0.04 0.58 0.00 -1.03 0.00 0.00 31.31 31.71 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 -1.11 1.01 -0.98 6.99 0.00 -1.15 -0.59 120.51 124.68 1irg n ALA 59 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.44 1irg n ALA 59 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -5.22 0.00 -0.27 0.00 2.08 0.07 -2.41 119.36 113.62 1irg n ILE 60 Ca 0.37 0.08 -0.07 0.00 0.56 0.00 0.00 62.75 63.69 1irg n ILE 60 Cb 1.27 -0.17 -0.06 0.00 -0.75 0.00 0.00 39.64 39.92 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 -1.23 -0.91 1.39 -0.00 0.45 0.68 115.15 115.53 1irg h HIS 61 Ca 0.00 0.08 0.23 0.00 -0.00 0.00 0.00 60.37 60.68 1irg h HIS 61 Cb 0.00 0.62 -0.13 0.00 -0.00 0.00 0.00 27.41 27.90 1irg h HIS 61 CO 0.00 -0.24 0.40 1.79 -0.00 0.00 0.00 177.93 179.88 1irg h THR 62 N -0.00 0.44 0.00 6.26 1.35 -0.95 -3.45 112.91 116.57 1irg h THR 62 Ca 0.10 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1irg h THR 62 Cb 0.27 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.72 1irg h THR 62 CO -0.61 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.34 1irg n GLY 63 N -1.34 0.76 1.96 5.82 0.00 0.24 -4.95 105.19 107.68 1irg n GLY 63 Ca 0.23 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 1.98 0.00 1.61 4.01 -1.06 -4.90 118.16 117.39 1irg n LYS 64 Ca 0.00 -1.99 0.00 0.00 -0.51 0.00 0.00 58.31 55.81 1irg n LYS 64 Cb 0.00 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 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 -0.11 0.00 -3.77 2.13 -0.00 -1.19 -4.88 115.22 107.40 1irg n HIS 65 Ca 0.38 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.98 1irg n HIS 65 Cb 0.74 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.60 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 0.23 -0.24 1.57 -0.21 -1.26 -4.71 119.66 113.03 1irg s GLN 66 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.36 55.48 1irg s GLN 66 Cb 0.00 0.01 0.00 0.00 1.00 0.00 0.00 33.01 34.03 1irg s GLN 66 CO 0.00 -0.09 1.13 -1.25 -2.12 0.00 0.00 175.29 172.97 1irg s PRO 67 N 0.60 4.17 0.00 2.91 0.04 -1.26 -2.18 135.00 139.28 1irg s PRO 67 Ca -0.04 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1irg s PRO 67 Cb -0.05 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1irg s PRO 67 CO -0.03 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1irg n GLY 68 N 3.63 3.26 0.37 0.56 0.00 -1.26 -4.77 105.19 106.98 1irg n GLY 68 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.57 0.00 -3.49 -0.61 5.41 -1.20 -5.02 119.36 112.88 1irg n ILE 69 Ca 0.00 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.22 1irg n ILE 69 Cb 0.00 1.20 -0.02 0.00 -0.71 0.00 0.00 39.64 40.10 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 -1.39 -0.49 0.31 4.38 1.01 -0.93 -4.92 116.67 114.64 1irg s ASP 70 Ca 0.12 -0.10 -0.27 0.00 0.71 0.00 0.00 52.55 53.01 1irg s ASP 70 Cb 0.10 0.59 -0.09 0.00 1.01 0.00 0.00 42.92 44.53 1irg s ASP 70 CO 0.26 -0.97 1.02 -0.54 0.21 0.00 0.00 175.17 175.14 1irg s LYS 71 N -3.77 4.56 -0.41 8.23 3.01 -1.26 -4.72 119.74 125.37 1irg s LYS 71 Ca 0.02 1.56 -0.29 0.00 -1.01 0.00 0.00 55.97 56.25 1irg s LYS 71 Cb -0.01 -2.97 0.02 0.00 -1.01 0.00 0.00 37.83 33.86 1irg s LYS 71 CO -0.11 0.21 1.24 -1.25 0.51 0.00 0.00 175.35 175.94 1irg s PRO 72 N -1.78 3.75 -0.42 -1.68 0.04 -1.26 -4.91 135.00 128.74 1irg s PRO 72 Ca 0.48 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.27 1irg s PRO 72 Cb -0.25 -3.92 0.08 0.00 0.04 0.00 0.00 34.50 30.45 1irg s PRO 72 CO 0.32 -1.34 0.27 -0.51 0.04 0.00 0.00 177.00 175.78 1irg s ASP 73 N 2.85 5.69 0.00 6.66 1.01 -1.26 -4.92 116.67 126.71 1irg s ASP 73 Ca 0.53 -1.48 0.09 0.00 0.71 0.00 0.00 52.55 52.40 1irg s ASP 73 Cb -0.11 -2.01 0.55 0.00 1.01 0.00 0.00 42.92 42.36 1irg s ASP 73 CO 0.29 -0.55 1.27 -0.81 0.21 0.00 0.00 175.17 175.58 1irg n PRO 74 N 4.95 0.90 -0.07 8.23 -0.04 -1.26 -3.60 135.00 144.11 1irg n PRO 74 Ca -0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1irg n PRO 74 Cb 0.43 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.09 0.00 0.54 1.57 -2.00 -3.35 116.57 113.42 1irg h LYS 75 Ca 0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1irg h LYS 75 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1irg h LYS 75 CO 0.00 1.07 -0.01 1.15 -0.57 0.00 0.00 179.45 181.09 1irg h THR 76 N -0.67 0.03 0.00 -0.16 2.02 -2.01 -2.30 112.91 109.82 1irg h THR 76 Ca -0.37 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1irg h THR 76 Cb 1.53 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1irg h THR 76 CO -0.11 0.01 0.00 0.79 0.37 0.00 0.00 175.52 176.58 1irg n TRP 77 N -3.11 0.52 0.53 3.16 8.01 -1.25 -2.75 117.44 122.55 1irg n TRP 77 Ca 0.01 0.18 0.06 0.00 -1.31 0.00 0.00 57.50 56.43 1irg n TRP 77 Cb 0.33 -0.79 -0.01 0.00 -2.01 0.00 0.00 31.31 28.83 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 -1.95 2.18 -0.01 -0.99 4.81 -0.88 -4.44 118.16 116.89 1irg n LYS 78 Ca 0.04 -0.55 -0.14 0.00 -0.87 0.00 0.00 58.31 56.79 1irg n LYS 78 Cb 0.30 -1.13 -0.14 0.00 0.02 0.00 0.00 35.03 34.08 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1irg n ALA 79 N -0.40 1.22 1.40 3.14 0.00 -1.11 -3.88 120.51 120.88 1irg n ALA 79 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 53.44 52.86 1irg n ALA 79 Cb 0.24 -0.78 0.23 0.00 0.00 0.00 0.00 19.45 19.14 1irg n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1irg n ASN 80 N -3.24 1.08 -0.12 0.00 5.03 -1.19 -3.92 115.26 112.90 1irg n ASN 80 Ca -0.24 -1.85 -0.23 0.00 0.87 0.00 0.00 54.58 53.14 1irg n ASN 80 Cb 1.05 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 39.60 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1irg n PHE 81 N 0.03 0.00 -0.01 3.10 -0.00 -1.25 -4.10 117.46 115.23 1irg n PHE 81 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.62 1irg n PHE 81 Cb 0.20 -0.88 0.47 0.00 -0.00 0.00 0.00 39.48 39.27 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 -0.57 0.44 -0.63 -4.13 1.12 -1.69 -0.90 114.38 108.02 1irg h ARG 82 Ca -0.58 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.19 1irg h ARG 82 Cb 1.63 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 31.46 1irg h ARG 82 CO -0.27 0.29 0.12 0.00 -3.11 0.00 0.00 179.97 177.00 1irg h ALA 84 N 1.17 1.67 0.04 0.00 0.00 -1.31 0.51 119.26 121.33 1irg h ALA 84 Ca 0.20 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 1irg h ALA 84 Cb 0.38 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1irg h ALA 84 CO 0.01 -0.50 -1.83 -1.33 0.00 0.00 0.00 179.25 175.59 1irg n MET 85 N -3.16 0.67 -0.46 0.00 2.81 -0.54 -3.84 117.12 112.61 1irg n MET 85 Ca 0.02 0.27 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 1irg n MET 85 Cb 0.51 -1.76 0.18 0.00 -0.71 0.00 0.00 33.22 31.45 1irg n MET 85 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1irg n ASN 86 N -3.16 3.31 0.00 7.83 4.13 0.16 -4.86 115.26 122.67 1irg n ASN 86 Ca -0.22 -2.50 0.00 0.00 1.68 0.00 0.00 54.58 53.54 1irg n ASN 86 Cb 1.05 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1irg n SER 87 N 0.22 1.20 -1.43 6.41 2.88 -0.29 -5.01 113.62 117.60 1irg n SER 87 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1irg n SER 87 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.22 -0.10 2.46 4.32 -1.26 -4.66 117.00 116.54 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 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1irg n LEU 88 CO 0.00 -1.21 0.26 -0.81 -1.22 0.00 0.00 177.39 174.41 1irg n PRO 89 N 1.83 0.58 0.00 3.23 -0.04 -1.26 -2.38 135.00 136.96 1irg n PRO 89 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1irg n PRO 89 Cb 0.00 -1.06 0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.36 1.94 -4.87 3.54 5.68 -1.26 -4.96 116.55 116.26 1irg n ASP 90 Ca 0.00 -1.47 -0.36 0.00 -0.50 0.00 0.00 54.79 52.46 1irg n ASP 90 Cb 0.03 0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1irg s ILE 91 N -1.39 5.23 -0.39 2.12 -4.36 -1.00 -0.84 121.20 120.57 1irg s ILE 91 Ca 0.15 0.39 0.02 0.00 -0.26 0.00 0.00 60.65 60.95 1irg s ILE 91 Cb 0.12 -3.59 0.12 0.00 1.25 0.00 0.00 42.46 40.36 1irg s ILE 91 CO 0.24 0.45 0.16 -1.61 0.24 0.00 0.00 174.94 174.42 1irg s GLU 92 N -1.49 1.26 0.22 0.37 2.02 0.12 -4.81 118.70 116.39 1irg s GLU 92 Ca 0.25 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.14 1irg s GLU 92 Cb -0.14 -2.57 -0.11 0.00 0.10 0.00 0.00 34.13 31.42 1irg s GLU 92 CO 0.14 -1.05 1.55 -1.83 0.02 0.00 0.00 175.26 174.08 1irg s GLU 93 N 0.75 4.20 -0.29 1.61 -1.05 -1.26 -1.30 118.70 121.36 1irg s GLU 93 Ca 0.14 2.42 0.03 0.00 -0.15 0.00 0.00 54.97 57.41 1irg s GLU 93 Cb -0.21 -3.10 0.20 0.00 -0.44 0.00 0.00 34.13 30.57 1irg s GLU 93 CO -0.09 -0.57 0.60 0.08 0.95 0.00 0.00 175.26 176.23 1irg s VAL 94 N 0.53 -0.99 -0.42 1.83 1.01 0.16 -4.93 120.40 117.58 1irg s VAL 94 Ca 0.66 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1irg s VAL 94 Cb -0.45 -0.99 0.39 0.00 0.00 0.00 0.00 36.38 35.33 1irg s VAL 94 CO 0.39 0.00 1.31 2.29 0.00 0.00 0.00 175.10 179.09 1irg n LYS 95 N 5.42 2.37 -1.54 2.72 2.85 -1.25 -0.22 118.16 128.51 1irg n LYS 95 Ca 0.02 -1.61 0.00 0.00 -1.05 0.00 0.00 58.31 55.67 1irg n LYS 95 Cb 0.53 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1irg n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1irg n ASP 96 N -0.01 -3.84 -0.05 -5.58 5.68 -1.26 -4.61 116.55 106.89 1irg n ASP 96 Ca 0.23 0.48 -0.07 0.00 -0.50 0.00 0.00 54.79 54.93 1irg n ASP 96 Cb 0.93 -0.77 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 1irg n ASP 96 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1irg n ARG 97 N 1.77 0.23 -2.08 0.11 3.00 -1.26 -4.60 116.66 113.84 1irg n ARG 97 Ca 0.00 0.06 -0.25 0.00 -0.00 0.00 0.00 57.85 57.66 1irg n ARG 97 Cb 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.88 5.04 0.00 6.15 7.64 -1.26 -4.58 113.62 123.73 1irg n SER 98 Ca -0.17 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 55.96 1irg n SER 98 Cb 0.67 -0.40 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 -0.67 0.00 -0.04 0.44 -0.00 -1.26 -4.91 119.36 112.91 1irg n ILE 99 Ca 0.44 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 63.04 1irg n ILE 99 Cb 0.89 -0.27 -0.09 0.00 -0.00 0.00 0.00 39.64 40.18 1irg n ILE 99 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1irg h LYS 100 N 0.00 0.41 -7.08 0.38 2.10 -1.84 -3.46 116.57 107.07 1irg h LYS 100 Ca 0.00 -0.31 -0.61 0.00 -2.00 0.00 0.00 60.65 57.73 1irg h LYS 100 Cb 0.00 0.06 -0.26 0.00 -0.90 0.00 0.00 32.23 31.13 1irg h LYS 100 CO 0.00 0.94 -0.93 1.63 -2.00 0.00 0.00 179.45 179.08 1irg n LYS 101 N -4.37 -0.87 0.00 0.07 5.02 -1.26 -4.74 118.16 112.00 1irg n LYS 101 Ca -0.08 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1irg n LYS 101 Cb 0.51 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1irg n GLY 102 N -2.10 -1.89 0.00 0.72 0.00 -1.26 -5.17 105.19 95.49 1irg n GLY 102 Ca -0.19 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1irg n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1irg n ASN 103 N 0.00 0.00 0.00 1.61 4.13 -1.26 -5.12 115.26 114.61 1irg n ASN 103 Ca 0.00 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1irg n ASN 103 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1irg n ASN 104 N -0.01 0.00 0.00 6.41 4.13 -1.26 -5.07 115.26 119.46 1irg n ASN 104 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1irg n ASN 104 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irg n ALA 105 N -3.00 0.00 -2.46 5.41 0.00 -1.26 -5.13 120.51 114.07 1irg n ALA 105 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1irg n ALA 105 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.98 -0.88 0.00 0.40 -1.26 -4.98 117.98 114.24 1irg s PHE 106 Ca 0.00 -0.28 -0.20 0.00 -0.60 0.00 0.00 56.93 55.85 1irg s PHE 106 Cb 0.00 -1.92 0.11 0.00 0.51 0.00 0.00 43.02 41.71 1irg s PHE 106 CO 0.00 0.06 1.13 0.50 0.70 0.00 0.00 175.22 177.62 1irg s ARG 107 N -4.09 3.48 -0.34 0.44 6.06 0.51 -3.97 118.95 121.04 1irg s ARG 107 Ca 0.44 -1.45 -0.29 0.00 -2.50 0.00 0.00 55.73 51.92 1irg s ARG 107 Cb -0.07 -4.82 -0.00 0.00 0.06 0.00 0.00 34.95 30.12 1irg s ARG 107 CO 0.29 -1.84 1.49 0.08 -2.50 0.00 0.00 175.30 172.82 1irg s VAL 108 N 3.33 3.84 -0.21 7.11 1.01 0.70 -1.74 120.40 134.43 1irg s VAL 108 Ca 0.32 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 1irg s VAL 108 Cb -0.07 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1irg s VAL 108 CO -0.05 -0.57 0.24 -0.31 0.00 0.00 0.00 175.10 174.41 1irg s TYR 109 N 5.45 3.36 -0.27 5.22 1.51 0.38 0.36 117.35 133.37 1irg s TYR 109 Ca 0.65 0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.00 1irg s TYR 109 Cb -0.18 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1irg s TYR 109 CO 0.30 0.10 0.21 1.03 -1.11 0.00 0.00 175.55 176.08 1irg s ARG 110 N 0.95 4.00 -0.16 -0.62 0.52 -0.42 -0.83 118.95 122.38 1irg s ARG 110 Ca 0.12 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 54.98 1irg s ARG 110 Cb -0.13 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1irg s ARG 110 CO 0.04 -0.12 0.16 -1.64 0.02 0.00 0.00 175.30 173.76 1irg s MET 111 N 1.60 3.95 0.29 3.54 -1.94 0.43 0.13 119.30 127.30 1irg s MET 111 Ca 0.08 -0.14 -0.09 0.00 -1.71 0.00 0.00 55.69 53.84 1irg s MET 111 Cb -0.15 -3.34 -0.06 0.00 2.01 0.00 0.00 34.83 33.28 1irg s MET 111 CO 0.09 0.46 0.61 -0.51 -0.01 0.00 0.00 175.02 175.66 1irg s LEU 112 N -0.12 4.05 0.00 -0.03 1.43 -0.02 -4.44 118.68 119.55 1irg s LEU 112 Ca 0.12 0.92 0.27 0.00 -1.03 0.00 0.00 54.13 54.40 1irg s LEU 112 Cb -0.12 -3.73 1.60 0.00 0.03 0.00 0.00 46.19 43.98 1irg s LEU 112 CO 0.01 -0.19 1.95 -0.81 0.23 0.00 0.00 176.35 177.54