#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 0.33 0.00 0.52 1.01 -1.26 -5.14 120.40 115.86 1irg s VAL 3 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1irg s VAL 3 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1irg s VAL 3 CO 0.00 0.24 0.00 -0.62 0.00 0.00 0.00 175.10 174.72 1irg n GLU 4 N 5.00 3.06 -3.01 2.72 1.02 -1.26 -4.99 120.64 123.17 1irg n GLU 4 Ca -0.10 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 1irg n GLU 4 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.88 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1irg n ARG 5 N 0.00 3.43 -2.00 3.49 1.74 -1.26 -5.06 116.66 117.00 1irg n ARG 5 Ca 0.00 -4.79 -0.29 0.00 -0.77 0.00 0.00 57.85 52.00 1irg n ARG 5 Cb 0.00 -2.29 0.20 0.00 -1.02 0.00 0.00 32.46 29.35 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1irg n MET 6 N 0.10 -1.22 -3.69 5.56 2.81 -1.26 -5.09 117.12 114.33 1irg n MET 6 Ca 0.33 -2.16 -0.21 0.00 -1.81 0.00 0.00 57.70 53.84 1irg n MET 6 Cb 0.38 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 1irg n MET 6 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1irg s ARG 7 N -5.89 2.49 0.54 0.03 1.81 -1.26 -4.98 118.95 111.70 1irg s ARG 7 Ca 0.76 -1.57 0.29 0.00 -1.72 0.00 0.00 55.73 53.49 1irg s ARG 7 Cb -0.02 -2.32 1.56 0.00 -0.45 0.00 0.00 34.95 33.72 1irg s ARG 7 CO 0.53 -0.15 2.12 1.98 -0.68 0.00 0.00 175.30 179.10 1irg h MET 8 N 1.13 0.00 0.87 3.54 4.05 -1.94 -1.05 114.93 121.52 1irg h MET 8 Ca -0.42 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.96 1irg h MET 8 Cb 1.26 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1irg h MET 8 CO 0.60 0.09 -0.42 0.00 0.23 0.00 0.00 176.91 177.41 1irg h ARG 9 N 0.00 -1.12 0.00 0.39 2.47 -2.00 -1.45 114.38 112.67 1irg h ARG 9 Ca -0.00 0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.75 1irg h ARG 9 Cb 0.27 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1irg h ARG 9 CO 0.01 -0.75 -0.24 -1.00 0.56 0.00 0.00 179.97 178.56 1irg h PRO 10 N -1.17 0.00 -0.39 0.04 0.13 -1.95 -1.67 132.00 127.00 1irg h PRO 10 Ca -0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1irg h PRO 10 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1irg h PRO 10 CO 0.20 0.24 0.13 2.35 -0.23 0.00 0.00 178.00 180.68 1irg h TRP 11 N 0.00 0.62 0.05 1.56 7.01 -0.98 -0.77 115.95 123.44 1irg h TRP 11 Ca -0.00 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1irg h TRP 11 Cb 0.67 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1irg h TRP 11 CO 0.00 0.58 -0.02 1.25 -2.79 0.00 0.00 178.44 177.45 1irg h LEU 12 N 0.48 -0.06 -1.13 0.65 5.85 -1.06 -1.79 115.31 118.24 1irg h LEU 12 Ca 0.12 -0.59 0.28 0.00 0.84 0.00 0.00 57.88 58.54 1irg h LEU 12 Cb 0.25 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.17 1irg h LEU 12 CO -0.00 0.61 0.63 -0.08 -0.34 0.00 0.00 178.44 179.25 1irg h GLU 13 N -0.78 0.43 0.20 1.25 4.81 -1.30 0.26 114.58 119.44 1irg h GLU 13 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1irg h GLU 13 Cb 0.64 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1irg h GLU 13 CO 0.01 0.28 -0.09 0.93 -0.73 0.00 0.00 179.01 179.41 1irg h GLU 14 N 0.44 -0.25 -0.60 1.92 5.08 -1.09 -1.31 114.58 118.76 1irg h GLU 14 Ca 0.66 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 59.11 1irg h GLU 14 Cb 1.50 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.71 1irg h GLU 14 CO -0.45 0.14 -0.54 1.96 -1.00 0.00 0.00 179.01 179.12 1irg h GLN 15 N -0.78 -0.25 -0.58 2.33 1.08 -0.08 0.15 115.11 116.97 1irg h GLN 15 Ca -0.03 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1irg h GLN 15 Cb 0.51 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1irg h GLN 15 CO 0.04 -0.17 0.29 0.82 -0.95 0.00 0.00 178.83 178.86 1irg h ILE 16 N -0.26 0.91 -0.56 2.54 2.04 -1.29 0.47 117.51 121.36 1irg h ILE 16 Ca 0.12 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1irg h ILE 16 Cb 0.55 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.85 1irg h ILE 16 CO -0.71 0.10 -0.12 0.78 0.00 0.00 0.00 178.15 178.21 1irg h ASN 17 N 0.53 -0.48 0.31 1.72 2.35 0.47 0.53 115.58 121.01 1irg h ASN 17 Ca 0.27 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1irg h ASN 17 Cb 0.22 0.33 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1irg h ASN 17 CO -0.20 -0.17 -0.31 -1.20 -1.65 0.00 0.00 177.43 173.90 1irg n SER 18 N -5.37 0.88 -2.81 5.81 7.64 -0.54 -4.99 113.62 114.24 1irg n SER 18 Ca 0.06 -0.72 -0.05 0.00 1.01 0.00 0.00 58.87 59.17 1irg n SER 18 Cb 0.30 0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.86 -7.43 -0.04 6.43 3.02 0.16 -4.89 115.26 111.65 1irg n ASN 19 Ca 0.11 0.29 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 1irg n ASN 19 Cb 0.34 -5.02 0.61 0.00 -0.61 0.00 0.00 39.78 35.10 1irg n ASN 19 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1irg n THR 20 N -0.82 0.00 -3.82 3.41 5.66 -1.05 -4.78 114.28 112.88 1irg n THR 20 Ca 0.07 -0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 60.92 1irg n THR 20 Cb 0.45 -0.27 -0.14 0.00 -1.55 0.00 0.00 70.33 68.82 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1irg s ILE 21 N -2.71 -0.02 -0.90 1.09 -1.09 -1.26 -5.03 121.20 111.27 1irg s ILE 21 Ca 0.23 0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.48 1irg s ILE 21 Cb 0.19 -0.11 -0.00 0.00 -1.58 0.00 0.00 42.46 40.96 1irg s ILE 21 CO 0.51 0.03 1.71 -2.16 -1.23 0.00 0.00 174.94 173.81 1irg s PRO 22 N 0.46 2.98 0.00 2.79 0.04 -1.26 -2.40 135.00 137.61 1irg s PRO 22 Ca -0.04 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.51 1irg s PRO 22 Cb -0.05 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1irg s PRO 22 CO -0.02 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.63 1irg n GLY 23 N 6.64 0.95 3.67 0.56 0.00 -1.26 -4.97 105.19 110.79 1irg n GLY 23 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.21 0.99 2.96 -1.01 -3.35 118.68 121.80 1irg s LEU 24 Ca 0.00 0.13 -0.36 0.00 -0.22 0.00 0.00 54.13 53.68 1irg s LEU 24 Cb 0.00 -1.90 0.15 0.00 0.50 0.00 0.00 46.19 44.94 1irg s LEU 24 CO 0.00 0.28 1.31 -1.59 -1.32 0.00 0.00 176.35 175.03 1irg s LYS 25 N -0.28 0.18 -0.53 1.98 0.00 -0.45 -4.65 119.74 116.00 1irg s LYS 25 Ca 0.07 -0.07 -0.28 0.00 0.00 0.00 0.00 55.97 55.69 1irg s LYS 25 Cb -0.12 0.08 -0.00 0.00 0.00 0.00 0.00 37.83 37.78 1irg s LYS 25 CO 0.02 -0.08 1.58 -1.58 0.00 0.00 0.00 175.35 175.29 1irg s TRP 26 N -2.23 2.06 0.46 1.78 0.52 -1.26 -1.46 118.94 118.81 1irg s TRP 26 Ca 0.11 0.58 0.17 0.00 0.02 0.00 0.00 56.10 56.98 1irg s TRP 26 Cb 0.00 -4.27 1.12 0.00 -1.15 0.00 0.00 33.47 29.17 1irg s TRP 26 CO -0.04 -2.22 1.98 -0.07 0.02 0.00 0.00 176.95 176.62 1irg h LEU 27 N 13.91 0.28 -5.37 2.99 3.38 -0.39 -3.34 115.31 126.78 1irg h LEU 27 Ca -0.28 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1irg h LEU 27 Cb 1.12 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.65 1irg h LEU 27 CO 1.16 0.16 -0.49 0.21 0.09 0.00 0.00 178.44 179.57 1irg s ASN 28 N -6.21 -1.40 0.62 -0.43 3.84 -1.05 -4.98 114.94 105.33 1irg s ASN 28 Ca -0.07 -1.44 0.35 0.00 0.21 0.00 0.00 52.86 51.91 1irg s ASN 28 Cb 0.20 1.87 2.01 0.00 -0.55 0.00 0.00 41.25 44.78 1irg s ASN 28 CO 0.75 -0.09 2.25 0.50 -2.79 0.00 0.00 177.10 177.71 1irg h LYS 29 N 5.70 0.00 -0.38 0.43 1.63 -1.77 0.34 116.57 122.52 1irg h LYS 29 Ca 0.06 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1irg h LYS 29 Cb 1.13 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 1irg h LYS 29 CO 0.05 0.00 0.23 1.49 -3.45 0.00 0.00 179.45 177.77 1irg h GLU 30 N 0.00 0.46 -0.01 1.90 4.81 -1.94 -1.65 114.58 118.15 1irg h GLU 30 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1irg h GLU 30 Cb 0.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1irg h GLU 30 CO -0.00 0.30 -0.31 1.63 -0.73 0.00 0.00 179.01 179.90 1irg n LYS 31 N -4.86 0.98 -2.36 1.92 5.02 -0.23 -4.96 118.16 113.67 1irg n LYS 31 Ca 0.01 -0.66 -0.04 0.00 -2.02 0.00 0.00 58.31 55.59 1irg n LYS 31 Cb 0.05 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.43 -1.62 -4.37 1.97 5.02 0.10 -4.45 118.16 114.39 1irg n LYS 32 Ca 0.12 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.28 1irg n LYS 32 Cb 0.38 -3.32 -0.15 0.00 -0.02 0.00 0.00 35.03 31.93 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 -3.09 2.91 -0.06 -0.18 1.09 -0.64 -0.60 121.20 120.63 1irg s ILE 33 Ca 0.00 -0.68 0.04 0.00 -1.10 0.00 0.00 60.65 58.91 1irg s ILE 33 Cb -0.00 -2.26 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 1irg s ILE 33 CO 0.18 0.49 -0.17 0.72 -0.10 0.00 0.00 174.94 176.06 1irg s PHE 34 N 0.93 1.81 -0.14 3.97 -0.12 -0.07 0.40 117.98 124.76 1irg s PHE 34 Ca -0.02 -0.59 -0.03 0.00 -0.05 0.00 0.00 56.93 56.24 1irg s PHE 34 Cb -0.15 -1.23 -0.03 0.00 -0.63 0.00 0.00 43.02 40.98 1irg s PHE 34 CO -0.01 -0.23 -0.05 -1.14 -0.05 0.00 0.00 175.22 173.75 1irg s GLN 35 N 0.21 3.56 0.14 1.99 0.74 -0.54 -0.64 119.66 125.11 1irg s GLN 35 Ca -0.08 -0.53 0.07 0.00 0.05 0.00 0.00 55.36 54.87 1irg s GLN 35 Cb -0.13 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1irg s GLN 35 CO 0.04 0.29 -0.08 0.42 -0.55 0.00 0.00 175.29 175.41 1irg s ILE 36 N 0.22 3.42 0.03 -2.34 1.01 -0.74 -1.34 121.20 121.46 1irg s ILE 36 Ca -0.03 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1irg s ILE 36 Cb -0.14 -2.65 -0.25 0.00 0.01 0.00 0.00 42.46 39.44 1irg s ILE 36 CO 0.03 0.01 0.95 1.55 0.00 0.00 0.00 174.94 177.48 1irg h PRO 37 N 3.24 0.12 -3.05 2.79 0.13 -1.86 -0.99 132.00 132.38 1irg h PRO 37 Ca -0.48 -0.20 -0.24 0.00 -0.87 0.00 0.00 66.00 64.21 1irg h PRO 37 Cb 1.18 0.07 0.05 0.00 0.13 0.00 0.00 31.00 32.43 1irg h PRO 37 CO 0.54 0.94 -0.37 0.91 -0.23 0.00 0.00 178.00 179.79 1irg n TRP 38 N -3.33 -1.28 -2.55 1.56 7.02 -1.26 -4.60 117.44 113.00 1irg n TRP 38 Ca -0.11 0.37 0.10 0.00 -1.02 0.00 0.00 57.50 56.84 1irg n TRP 38 Cb 1.01 -3.15 -0.02 0.00 -2.42 0.00 0.00 31.31 26.73 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 -2.79 -1.46 -2.67 -0.99 2.81 -1.26 -4.67 117.12 106.08 1irg n MET 39 Ca -0.05 0.96 -0.08 0.00 -1.81 0.00 0.00 57.70 56.72 1irg n MET 39 Cb 0.56 -1.78 0.04 0.00 -0.71 0.00 0.00 33.22 31.33 1irg n MET 39 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1irg n HIS 40 N -2.89 0.87 -1.31 2.03 8.25 -1.26 -5.00 115.22 115.91 1irg n HIS 40 Ca 0.00 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.79 1irg n HIS 40 Cb 0.33 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.14 -2.61 -1.63 -1.41 0.00 -1.26 -4.99 120.51 108.47 1irg n ALA 41 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1irg n ALA 41 Cb 0.82 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.36 0.26 -0.40 0.00 0.00 -1.26 -4.76 120.51 113.98 1irg n ALA 42 Ca 0.00 -0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.76 1irg n ALA 42 Cb 0.00 -2.13 0.60 0.00 0.00 0.00 0.00 19.45 17.92 1irg n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1irg h ARG 43 N 0.46 0.17 0.00 0.00 9.65 -1.92 0.30 114.38 123.04 1irg h ARG 43 Ca -0.49 -0.01 -0.41 0.00 -1.10 0.00 0.00 59.98 57.97 1irg h ARG 43 Cb 1.36 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.84 1irg h ARG 43 CO 0.51 0.11 -2.47 0.72 2.80 0.00 0.00 179.97 181.64 1irg n HIS 44 N -4.74 0.05 0.00 2.20 8.25 -1.26 -5.03 115.22 114.69 1irg n HIS 44 Ca 0.34 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1irg n HIS 44 Cb 1.25 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 1.89 1.56 0.54 -1.41 0.00 0.09 -5.03 105.19 102.83 1irg n GLY 45 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.68 117.44 115.25 1irg n TRP 46 Ca 0.00 -0.13 0.00 0.00 2.07 0.00 0.00 57.50 59.44 1irg n TRP 46 Cb 0.00 0.30 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 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 -2.47 -0.67 2.03 -1.26 -4.97 116.55 109.21 1irg n ASP 47 Ca -0.07 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.22 1irg n ASP 47 Cb 0.44 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.22 0.00 5.18 0.31 -1.26 -4.88 118.33 117.89 1irg n VAL 48 Ca 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.12 1irg n VAL 48 Cb 0.00 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 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 -1.15 0.00 -0.02 5.55 -0.58 -1.26 -4.18 120.64 118.99 1irg n GLU 49 Ca -0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.57 1irg n GLU 49 Cb 0.85 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.70 1irg n GLU 49 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1irg n LYS 50 N 0.00 2.11 -0.14 3.49 4.76 -1.26 -4.55 118.16 122.57 1irg n LYS 50 Ca 0.00 0.01 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1irg n LYS 50 Cb 0.00 -1.10 0.10 0.00 -1.84 0.00 0.00 35.03 32.19 1irg n LYS 50 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1irg n ASP 51 N -2.34 1.41 0.13 4.39 8.00 -1.26 -4.00 116.55 122.88 1irg n ASP 51 Ca -0.07 -2.06 -0.01 0.00 0.71 0.00 0.00 54.79 53.36 1irg n ASP 51 Cb 0.62 -0.23 0.13 0.00 -0.02 0.00 0.00 41.12 41.61 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1irg h ALA 52 N 3.21 0.82 0.00 2.24 0.00 -1.90 -3.01 119.26 120.62 1irg h ALA 52 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1irg h ALA 52 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1irg h ALA 52 CO 0.03 0.81 0.00 -0.35 0.00 0.00 0.00 179.25 179.74 1irg n PRO 53 N -3.60 0.05 -0.09 0.00 -0.04 -1.26 -3.14 135.00 126.91 1irg n PRO 53 Ca -0.00 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1irg n PRO 53 Cb 0.68 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.67 1.89 -0.37 1.53 4.32 -1.19 -3.75 117.00 117.76 1irg n LEU 54 Ca 0.04 0.45 0.35 0.00 -0.02 0.00 0.00 56.01 56.83 1irg n LEU 54 Cb 0.25 -0.84 0.53 0.00 -1.62 0.00 0.00 43.42 41.75 1irg n LEU 54 CO 0.20 -0.10 1.26 0.49 -1.22 0.00 0.00 177.39 178.01 1irg n PHE 55 N -4.47 0.00 -0.07 -1.77 3.72 -1.14 0.10 117.46 113.83 1irg n PHE 55 Ca -0.22 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.01 1irg n PHE 55 Cb 0.53 -0.32 -0.13 0.00 -0.94 0.00 0.00 39.48 38.62 1irg n PHE 55 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1irg h ARG 56 N 0.00 0.04 -1.21 -1.08 1.12 -1.70 -3.24 114.38 108.31 1irg h ARG 56 Ca 0.61 -0.06 0.35 0.00 -1.11 0.00 0.00 59.98 59.77 1irg h ARG 56 Cb 3.04 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 32.97 1irg h ARG 56 CO -0.01 1.03 0.99 -2.95 -3.11 0.00 0.00 179.97 175.92 1irg h ASN 57 N -0.91 0.00 -1.82 -3.80 7.08 0.58 -3.40 115.58 113.30 1irg h ASN 57 Ca -0.14 0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.59 1irg h ASN 57 Cb 1.19 0.00 0.24 0.00 -2.08 0.00 0.00 38.32 37.67 1irg h ASN 57 CO -0.05 0.00 -1.85 0.79 -2.08 0.00 0.00 177.43 174.24 1irg n TRP 58 N -3.87 -1.90 -0.96 4.14 5.03 -0.93 -1.68 117.44 117.28 1irg n TRP 58 Ca 0.26 0.35 0.00 0.00 3.03 0.00 0.00 57.50 61.14 1irg n TRP 58 Cb 1.38 -1.49 0.00 0.00 -1.03 0.00 0.00 31.31 30.17 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 -3.69 0.00 0.12 6.99 0.00 -1.26 -4.56 120.51 118.10 1irg n ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1irg n ALA 59 Cb 0.66 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.21 0.00 0.17 0.00 2.08 -0.67 -3.86 119.36 114.86 1irg n ILE 60 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1irg n ILE 60 Cb 0.34 -0.27 -0.03 0.00 -0.75 0.00 0.00 39.64 38.93 1irg n ILE 60 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1irg h HIS 61 N 0.00 -0.46 -1.25 1.39 -0.00 -1.72 -2.39 115.15 110.73 1irg h HIS 61 Ca 0.00 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 60.76 1irg h HIS 61 Cb 0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 27.41 27.45 1irg h HIS 61 CO 0.00 -0.27 0.81 1.79 -0.00 0.00 0.00 177.93 180.26 1irg h THR 62 N -0.45 0.21 -1.00 6.26 1.35 -1.93 -3.45 112.91 113.90 1irg h THR 62 Ca -0.04 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1irg h THR 62 Cb 0.36 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1irg h THR 62 CO 0.06 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1irg n GLY 63 N -1.51 0.49 2.71 5.82 0.00 -0.90 -5.00 105.19 106.80 1irg n GLY 63 Ca 0.34 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.50 1.84 0.00 1.61 4.01 -1.26 -5.02 118.16 118.84 1irg n LYS 64 Ca 0.00 -3.55 0.00 0.00 -0.51 0.00 0.00 58.31 54.25 1irg n LYS 64 Cb 0.26 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 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 -0.49 0.00 -3.73 2.13 -0.00 -1.25 -4.80 115.22 107.08 1irg n HIS 65 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.72 1irg n HIS 65 Cb 0.82 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.69 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 0.35 0.29 1.57 1.11 -1.26 -4.51 119.66 115.20 1irg s GLN 66 Ca 0.00 0.57 0.15 0.00 0.01 0.00 0.00 55.36 56.09 1irg s GLN 66 Cb 0.00 0.06 0.19 0.00 -1.01 0.00 0.00 33.01 32.25 1irg s GLN 66 CO 0.00 -0.11 1.50 -1.00 0.01 0.00 0.00 175.29 175.69 1irg h PRO 67 N 6.41 0.00 0.00 2.91 0.13 -1.86 -2.39 132.00 137.20 1irg h PRO 67 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1irg h PRO 67 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1irg h PRO 67 CO 0.32 0.52 -0.22 0.41 -0.23 0.00 0.00 178.00 178.80 1irg n GLY 68 N 0.99 -1.59 0.00 1.56 0.00 -1.26 -4.64 105.19 100.25 1irg n GLY 68 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.15 0.00 -1.98 -0.61 -0.00 -1.18 -5.05 119.36 108.38 1irg n ILE 69 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.48 1irg n ILE 69 Cb 0.43 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 1irg n ILE 69 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1irg s ASP 70 N 0.02 6.19 0.71 4.38 2.15 -0.91 -5.04 116.67 124.17 1irg s ASP 70 Ca 0.00 1.51 -0.11 0.00 0.43 0.00 0.00 52.55 54.38 1irg s ASP 70 Cb 0.00 -2.49 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1irg s ASP 70 CO 0.00 -0.89 1.07 -0.54 -0.17 0.00 0.00 175.17 174.64 1irg s LYS 71 N -4.80 2.85 0.19 4.34 1.02 -1.26 -4.15 119.74 117.93 1irg s LYS 71 Ca 0.57 0.79 -0.30 0.00 0.02 0.00 0.00 55.97 57.05 1irg s LYS 71 Cb -0.11 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1irg s LYS 71 CO 0.47 -1.12 1.04 -1.25 -0.92 0.00 0.00 175.35 173.57 1irg s PRO 72 N -5.13 4.68 -0.31 -1.68 0.04 -1.26 -4.93 135.00 126.40 1irg s PRO 72 Ca 0.58 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 1irg s PRO 72 Cb -0.13 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.23 1irg s PRO 72 CO 0.54 0.22 0.14 -0.51 0.04 0.00 0.00 177.00 177.44 1irg s ASP 73 N -0.45 3.54 0.00 6.66 1.01 -1.26 -4.97 116.67 121.21 1irg s ASP 73 Ca 0.46 -1.60 0.11 0.00 0.71 0.00 0.00 52.55 52.23 1irg s ASP 73 Cb -0.28 -0.51 0.67 0.00 1.01 0.00 0.00 42.92 43.82 1irg s ASP 73 CO 0.34 -0.40 1.33 -0.81 0.21 0.00 0.00 175.17 175.84 1irg n PRO 74 N 4.85 0.87 0.07 8.23 -0.04 -1.26 -3.34 135.00 144.38 1irg n PRO 74 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1irg n PRO 74 Cb 0.41 -1.20 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.24 0.00 0.54 1.57 -1.99 -3.34 116.57 113.59 1irg h LYS 75 Ca 0.00 -0.41 -0.32 0.00 -1.87 0.00 0.00 60.65 58.05 1irg h LYS 75 Cb 0.00 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1irg h LYS 75 CO 0.00 1.13 -1.93 2.41 -0.57 0.00 0.00 179.45 180.49 1irg n THR 76 N -3.46 1.55 0.25 -0.16 -1.04 -1.21 -3.97 114.28 106.23 1irg n THR 76 Ca -0.13 -0.81 0.18 0.00 -2.04 0.00 0.00 64.05 61.24 1irg n THR 76 Cb 1.03 -0.88 0.85 0.00 -1.82 0.00 0.00 70.33 69.51 1irg n THR 76 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1irg h TRP 77 N 0.00 0.00 0.10 -1.42 6.55 -1.69 0.86 115.95 120.34 1irg h TRP 77 Ca -0.37 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.21 1irg h TRP 77 Cb 2.09 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.39 1irg h TRP 77 CO 0.00 0.00 -1.16 -0.22 -1.05 0.00 0.00 178.44 176.01 1irg h LYS 78 N 0.00 0.29 -0.03 0.49 3.64 -1.69 -3.25 116.57 116.02 1irg h LYS 78 Ca 0.06 -0.44 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 1irg h LYS 78 Cb 0.65 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1irg h LYS 78 CO -0.00 1.18 -0.45 0.00 -2.27 0.00 0.00 179.45 177.91 1irg h ALA 79 N 0.64 1.20 0.00 5.00 0.00 -1.02 -1.97 119.26 123.11 1irg h ALA 79 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1irg h ALA 79 Cb 1.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1irg h ALA 79 CO 0.19 0.58 0.00 0.09 0.00 0.00 0.00 179.25 180.12 1irg n ASN 80 N -4.00 0.00 -0.12 0.00 3.02 -1.07 -3.10 115.26 109.99 1irg n ASN 80 Ca -0.02 -0.91 -0.20 0.00 -0.03 0.00 0.00 54.58 53.43 1irg n ASN 80 Cb 0.48 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1irg n PHE 81 N -0.99 0.00 0.22 3.10 -0.00 -0.76 -3.77 117.46 115.26 1irg n PHE 81 Ca 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.73 1irg n PHE 81 Cb 0.10 -0.92 0.51 0.00 -0.00 0.00 0.00 39.48 39.17 1irg n PHE 81 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1irg h ARG 82 N -0.29 0.00 0.00 -4.13 -0.00 -1.53 -2.51 114.38 105.92 1irg h ARG 82 Ca -0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.35 1irg h ARG 82 Cb 1.74 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.70 1irg h ARG 82 CO -0.18 0.25 -0.71 0.00 -0.00 0.00 0.00 179.97 179.33 1irg h ALA 84 N 1.75 0.80 0.00 0.00 0.00 -1.54 0.12 119.26 120.38 1irg h ALA 84 Ca -0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1irg h ALA 84 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1irg h ALA 84 CO 0.03 0.65 -1.27 -1.33 0.00 0.00 0.00 179.25 177.33 1irg n MET 85 N -4.06 0.62 0.04 0.00 2.81 -1.19 -3.99 117.12 111.34 1irg n MET 85 Ca -0.01 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1irg n MET 85 Cb 0.50 -1.79 0.14 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.73 0.64 -0.02 7.83 3.02 -1.00 -4.68 115.26 118.34 1irg n ASN 86 Ca -0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1irg n ASN 86 Cb 0.68 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1irg n SER 87 N -1.98 0.00 -1.14 6.41 2.88 0.41 -4.95 113.62 115.24 1irg n SER 87 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1irg n SER 87 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -4.58 117.00 117.94 1irg n LEU 88 Ca 0.00 0.58 0.07 0.00 -0.02 0.00 0.00 56.01 56.65 1irg n LEU 88 Cb 0.00 -0.88 0.41 0.00 -1.62 0.00 0.00 43.42 41.33 1irg n LEU 88 CO 0.00 -0.83 0.66 -0.81 -1.22 0.00 0.00 177.39 175.20 1irg n PRO 89 N 1.73 0.37 0.11 3.23 -0.04 -1.26 -1.86 135.00 137.28 1irg n PRO 89 Ca 0.00 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1irg n PRO 89 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1irg n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1irg h ASP 90 N 0.00 0.00 -3.24 3.54 3.32 -1.92 -3.45 116.42 114.66 1irg h ASP 90 Ca 0.00 -0.08 -0.66 0.00 0.02 0.00 0.00 57.03 56.32 1irg h ASP 90 Cb 0.05 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.48 1irg h ASP 90 CO 0.00 0.04 -0.61 -0.51 -1.72 0.00 0.00 179.24 176.43 1irg s ILE 91 N -3.22 4.41 -0.13 0.35 2.07 -0.78 0.24 121.20 124.14 1irg s ILE 91 Ca 0.05 -0.59 -0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1irg s ILE 91 Cb 0.10 -3.02 0.03 0.00 0.13 0.00 0.00 42.46 39.70 1irg s ILE 91 CO 0.71 0.31 -0.08 -0.70 -1.91 0.00 0.00 174.94 173.27 1irg s GLU 92 N -1.81 1.58 0.21 3.50 2.56 0.50 -4.84 118.70 120.40 1irg s GLU 92 Ca 0.23 -0.37 -0.30 0.00 0.00 0.00 0.00 54.97 54.52 1irg s GLU 92 Cb -0.12 -1.78 -0.09 0.00 2.00 0.00 0.00 34.13 34.15 1irg s GLU 92 CO 0.14 -0.32 1.24 -1.83 -0.56 0.00 0.00 175.26 173.93 1irg s GLU 93 N 1.66 4.46 -0.40 4.30 -1.05 -1.26 -0.72 118.70 125.69 1irg s GLU 93 Ca 0.04 1.95 0.04 0.00 -0.15 0.00 0.00 54.97 56.85 1irg s GLU 93 Cb -0.13 -3.21 0.16 0.00 -0.44 0.00 0.00 34.13 30.51 1irg s GLU 93 CO -0.08 -0.13 0.40 0.08 0.95 0.00 0.00 175.26 176.47 1irg s VAL 94 N -0.14 -0.22 -0.32 1.83 1.01 0.25 -4.93 120.40 117.88 1irg s VAL 94 Ca 0.53 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1irg s VAL 94 Cb -0.34 -0.75 0.40 0.00 0.00 0.00 0.00 36.38 35.68 1irg s VAL 94 CO 0.39 -0.70 1.46 2.29 0.00 0.00 0.00 175.10 178.54 1irg n LYS 95 N 3.73 2.00 -3.25 2.72 2.85 -1.26 -0.73 118.16 124.22 1irg n LYS 95 Ca 0.17 -1.73 -0.10 0.00 -1.05 0.00 0.00 58.31 55.59 1irg n LYS 95 Cb 0.46 -1.72 0.03 0.00 -0.65 0.00 0.00 35.03 33.15 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 -0.29 -6.94 0.00 -5.58 8.00 -1.26 -4.82 116.55 105.67 1irg n ASP 96 Ca 0.31 -0.45 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 1irg n ASP 96 Cb 1.10 -4.79 -0.14 0.00 -0.02 0.00 0.00 41.12 37.27 1irg n ASP 96 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1irg h ARG 97 N -0.36 0.12 -0.79 -1.24 -0.00 -1.99 -3.21 114.38 106.91 1irg h ARG 97 Ca -0.32 -0.20 -0.46 0.00 -0.00 0.00 0.00 59.98 58.99 1irg h ARG 97 Cb 1.17 0.08 -0.26 0.00 -0.00 0.00 0.00 29.97 30.96 1irg h ARG 97 CO 0.37 0.82 0.35 0.43 -0.00 0.00 0.00 179.97 181.94 1irg n SER 98 N -3.25 4.43 0.00 0.08 7.64 -1.26 -4.77 113.62 116.49 1irg n SER 98 Ca -0.21 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 55.95 1irg n SER 98 Cb 1.05 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.05 0.00 -2.17 0.44 -0.00 -1.26 -5.09 119.36 110.23 1irg n ILE 99 Ca 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 63.20 1irg n ILE 99 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 40.82 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 -0.75 -0.40 -2.69 0.38 4.81 -1.21 -4.90 118.16 113.40 1irg n LYS 100 Ca 0.00 0.54 -0.04 0.00 -0.87 0.00 0.00 58.31 57.94 1irg n LYS 100 Cb 0.00 -0.72 0.12 0.00 0.02 0.00 0.00 35.03 34.45 1irg n LYS 100 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1irg n LYS 101 N 0.69 1.32 0.00 1.64 2.85 -1.26 -4.96 118.16 118.44 1irg n LYS 101 Ca -0.01 -1.55 0.00 0.00 -1.05 0.00 0.00 58.31 55.69 1irg n LYS 101 Cb 0.32 0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1irg n GLY 102 N -1.15 0.00 2.62 2.58 0.00 -1.26 -5.17 105.19 102.80 1irg n GLY 102 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.17 0.00 1.61 3.02 -1.26 -5.12 115.26 112.34 1irg n ASN 103 Ca 0.00 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1irg n ASN 103 Cb 0.00 2.12 0.00 0.00 -0.61 0.00 0.00 39.78 41.29 1irg n ASN 103 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1irg n ASN 104 N -1.68 0.00 0.00 6.41 2.85 -1.26 -5.08 115.26 116.51 1irg n ASN 104 Ca -0.01 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1irg n ASN 104 Cb 0.45 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1irg n ALA 105 N -1.89 0.00 -3.00 5.20 0.00 -1.26 -5.15 120.51 114.40 1irg n ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1irg n ALA 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.17 -3.88 0.00 3.01 -1.26 -4.86 117.46 110.30 1irg n PHE 106 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1irg n PHE 106 Cb 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.32 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 -0.10 1.24 -0.56 -1.08 6.06 -0.38 -4.53 118.95 119.60 1irg s ARG 107 Ca 0.00 -1.21 -0.23 0.00 -2.50 0.00 0.00 55.73 51.79 1irg s ARG 107 Cb 0.00 -2.52 0.05 0.00 0.06 0.00 0.00 34.95 32.54 1irg s ARG 107 CO 0.00 -0.81 0.91 0.08 -2.50 0.00 0.00 175.30 172.97 1irg s VAL 108 N 1.37 4.44 0.08 7.11 1.01 0.09 -1.78 120.40 132.72 1irg s VAL 108 Ca 0.04 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1irg s VAL 108 Cb -0.18 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1irg s VAL 108 CO -0.13 -1.12 0.33 -0.31 0.00 0.00 0.00 175.10 173.87 1irg s TYR 109 N 3.80 3.53 -0.19 5.22 2.02 0.18 0.84 117.35 132.75 1irg s TYR 109 Ca 0.27 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.55 1irg s TYR 109 Cb -0.14 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1irg s TYR 109 CO 0.17 0.52 -0.13 1.03 -1.57 0.00 0.00 175.55 175.57 1irg s ARG 110 N -2.25 2.28 -0.97 -0.62 0.52 0.10 -0.89 118.95 117.13 1irg s ARG 110 Ca 0.35 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.59 1irg s ARG 110 Cb -0.13 -2.39 0.15 0.00 0.52 0.00 0.00 34.95 33.10 1irg s ARG 110 CO 0.21 -0.35 1.15 -1.64 0.02 0.00 0.00 175.30 174.69 1irg s MET 111 N 1.38 3.70 0.84 3.54 -1.94 0.23 -0.37 119.30 126.69 1irg s MET 111 Ca 0.01 -2.01 -0.17 0.00 -1.71 0.00 0.00 55.69 51.81 1irg s MET 111 Cb -0.15 -4.89 -0.14 0.00 2.01 0.00 0.00 34.83 31.66 1irg s MET 111 CO -0.09 -1.71 -0.49 1.28 -0.01 0.00 0.00 175.02 173.99 1irg n LEU 112 N 6.05 -4.78 0.00 -0.03 4.77 0.14 -4.61 117.00 118.54 1irg n LEU 112 Ca 0.25 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 1irg n LEU 112 Cb 0.48 -0.83 0.82 0.00 -2.33 0.00 0.00 43.42 41.56 1irg n LEU 112 CO 0.51 -5.44 0.99 -0.81 -1.33 0.00 0.00 177.39 171.31