#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibo s GLN 2 N 0.00 3.54 -0.18 0.00 2.00 -1.26 -4.92 119.66 118.84 3ibo s GLN 2 Ca 0.00 -0.46 0.15 0.00 -2.00 0.00 0.00 55.36 53.05 3ibo s GLN 2 Cb 0.00 -3.81 0.43 0.00 0.80 0.00 0.00 33.01 30.43 3ibo s GLN 2 CO 0.00 -0.53 1.20 0.00 -0.50 0.00 0.00 175.29 175.46 3ibo s SER 4 N -3.05 -0.09 -0.10 0.00 0.15 -1.26 -1.55 113.70 107.80 3ibo s SER 4 Ca 0.38 -0.29 -0.07 0.00 0.70 0.00 0.00 55.95 56.67 3ibo s SER 4 Cb 0.38 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 3ibo s SER 4 CO -0.07 -0.66 0.25 0.54 1.20 0.00 0.00 173.24 174.50 3ibo s VAL 5 N -2.92 -0.02 -0.25 4.45 0.11 -0.64 -4.96 120.40 116.17 3ibo s VAL 5 Ca -0.02 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 3ibo s VAL 5 Cb 0.00 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3ibo s VAL 5 CO -0.06 0.02 0.13 -1.81 -3.33 0.00 0.00 175.10 170.05 3ibo s ASP 6 N 0.58 5.64 -0.01 3.54 -0.00 -1.26 -1.18 116.67 123.98 3ibo s ASP 6 Ca -0.04 -0.06 0.04 0.00 -0.00 0.00 0.00 52.55 52.49 3ibo s ASP 6 Cb -0.05 -2.03 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 3ibo s ASP 6 CO -0.03 -0.01 -0.12 -0.51 -0.00 0.00 0.00 175.17 174.50 3ibo s ILE 7 N 1.48 0.97 -0.03 0.77 2.07 -0.41 -4.94 121.20 121.11 3ibo s ILE 7 Ca 0.06 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.82 3ibo s ILE 7 Cb -0.15 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 3ibo s ILE 7 CO 0.06 0.28 -0.12 -1.10 -1.91 0.00 0.00 174.94 172.15 3ibo s GLN 8 N -0.22 2.49 -0.18 3.50 -0.21 -1.26 -1.87 119.66 121.91 3ibo s GLN 8 Ca 0.04 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.71 3ibo s GLN 8 Cb -0.05 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.57 3ibo s GLN 8 CO -0.00 0.62 -0.19 0.20 -2.12 0.00 0.00 175.29 173.79 3ibo s GLY 9 N -0.95 1.40 0.01 3.09 0.00 -0.37 -1.53 107.32 108.96 3ibo s GLY 9 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3ibo s GLY 9 CO 0.02 0.23 0.01 1.16 0.00 0.00 0.00 173.10 174.53 3ibo n ASN 10 N 4.53 0.73 0.09 1.64 0.23 -0.84 -3.72 115.26 117.92 3ibo n ASN 10 Ca -0.21 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 52.92 3ibo n ASN 10 Cb 0.50 -0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.65 3ibo n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ibo n ASP 11 N -2.31 0.57 -0.54 0.53 8.00 -1.26 -2.82 116.55 118.73 3ibo n ASP 11 Ca 0.00 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.17 3ibo n ASP 11 Cb 0.01 -0.73 0.26 0.00 -0.02 0.00 0.00 41.12 40.64 3ibo n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibo n GLN 12 N -2.08 1.69 -3.36 -1.24 3.00 -1.26 -4.92 117.38 109.21 3ibo n GLN 12 Ca 0.04 -1.06 -0.18 0.00 -0.01 0.00 0.00 57.00 55.79 3ibo n GLN 12 Cb 0.31 -1.31 0.07 0.00 0.00 0.00 0.00 30.24 29.31 3ibo n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3ibo n MET 13 N 0.31 -6.38 -4.27 -1.09 1.56 -1.13 -5.03 117.12 101.09 3ibo n MET 13 Ca 0.13 0.70 -0.20 0.00 -0.27 0.00 0.00 57.70 58.06 3ibo n MET 13 Cb 0.28 -5.34 -0.13 0.00 2.15 0.00 0.00 33.22 30.19 3ibo n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3ibo s GLN 14 N -5.83 0.95 -0.00 2.12 -0.21 -1.26 -4.31 119.66 111.12 3ibo s GLN 14 Ca 0.35 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.76 3ibo s GLN 14 Cb -0.15 -1.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 3ibo s GLN 14 CO 0.61 0.24 0.18 -0.06 -2.12 0.00 0.00 175.29 174.14 3ibo s PHE 15 N -1.12 3.54 -1.70 0.91 0.08 -1.26 -1.98 117.98 116.45 3ibo s PHE 15 Ca 0.01 0.34 0.28 0.00 0.12 0.00 0.00 56.93 57.68 3ibo s PHE 15 Cb -0.09 -1.82 1.00 0.00 -0.57 0.00 0.00 43.02 41.54 3ibo s PHE 15 CO 0.02 0.64 1.72 0.27 -0.10 0.00 0.00 175.22 177.77 3ibo n ASN 16 N 0.87 0.73 -3.80 1.36 6.94 -0.58 -4.78 115.26 116.00 3ibo n ASN 16 Ca -0.10 -0.72 -0.14 0.00 -0.02 0.00 0.00 54.58 53.60 3ibo n ASN 16 Cb 0.52 0.02 -0.15 0.00 -2.36 0.00 0.00 39.78 37.82 3ibo n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3ibo s THR 17 N -2.49 -0.04 -0.09 5.53 -1.32 -1.26 -4.98 115.64 110.99 3ibo s THR 17 Ca 0.27 0.13 0.13 0.00 -1.21 0.00 0.00 61.69 61.01 3ibo s THR 17 Cb 0.20 -0.09 0.20 0.00 -1.51 0.00 0.00 72.50 71.30 3ibo s THR 17 CO 0.50 0.05 1.09 0.59 -2.21 0.00 0.00 174.62 174.64 3ibo n ASN 18 N 3.78 1.81 -3.66 8.08 3.02 -1.26 -4.90 115.26 122.13 3ibo n ASN 18 Ca -0.22 -2.70 -0.07 0.00 -0.03 0.00 0.00 54.58 51.56 3ibo n ASN 18 Cb 0.54 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 3ibo n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibo s ALA 19 N -2.06 -1.47 -0.06 5.41 0.00 -1.26 -2.13 121.76 120.19 3ibo s ALA 19 Ca 0.22 1.88 0.01 0.00 0.00 0.00 0.00 51.96 54.06 3ibo s ALA 19 Cb 0.19 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3ibo s ALA 19 CO 0.02 -0.61 -0.07 0.42 0.00 0.00 0.00 175.76 175.52 3ibo s ILE 20 N 2.22 0.79 -0.22 0.00 1.01 -0.24 -4.98 121.20 119.77 3ibo s ILE 20 Ca -0.06 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3ibo s ILE 20 Cb -0.10 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.63 3ibo s ILE 20 CO -0.16 0.29 -0.15 0.42 0.00 0.00 0.00 174.94 175.34 3ibo s THR 21 N 1.04 2.13 -0.10 2.92 -4.23 -1.26 -2.69 115.64 113.45 3ibo s THR 21 Ca -0.08 -1.31 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 3ibo s THR 21 Cb -0.14 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3ibo s THR 21 CO -0.00 0.24 0.77 -0.69 -0.54 0.00 0.00 174.62 174.39 3ibo s VAL 22 N 1.19 4.97 0.14 2.29 1.01 -0.52 -4.68 120.40 124.81 3ibo s VAL 22 Ca -0.02 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.21 3ibo s VAL 22 Cb -0.17 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 3ibo s VAL 22 CO -0.09 0.15 1.33 -0.62 0.00 0.00 0.00 175.10 175.87 3ibo s ASP 23 N 0.97 6.89 0.63 3.32 -1.08 -1.26 0.11 116.67 126.26 3ibo s ASP 23 Ca 0.39 2.31 0.37 0.00 -0.52 0.00 0.00 52.55 55.10 3ibo s ASP 23 Cb -0.18 -2.59 2.13 0.00 -1.46 0.00 0.00 42.92 40.82 3ibo s ASP 23 CO 0.17 -0.57 2.30 0.11 0.52 0.00 0.00 175.17 177.69 3ibo h LYS 24 N 6.22 0.00 0.00 4.34 1.57 -1.96 -2.11 116.57 124.63 3ibo h LYS 24 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3ibo h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3ibo h LYS 24 CO 0.82 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.36 3ibo h SER 25 N 0.00 0.00 -3.26 0.86 4.64 -2.00 -3.45 113.55 110.33 3ibo h SER 25 Ca 0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.80 3ibo h SER 25 Cb 0.05 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3ibo h SER 25 CO -0.00 0.00 0.71 0.00 -0.87 0.00 0.00 176.83 176.67 3ibo h LYS 27 N 5.69 0.27 -5.24 0.00 3.64 -1.89 -3.42 116.57 115.62 3ibo h LYS 27 Ca -0.44 -0.46 -0.38 0.00 -1.27 0.00 0.00 60.65 58.10 3ibo h LYS 27 Cb 1.21 0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 33.01 3ibo h LYS 27 CO 0.80 1.22 -0.76 -0.65 -2.27 0.00 0.00 179.45 177.80 3ibo s GLN 28 N -2.46 0.90 -0.02 1.90 -0.21 -1.26 -1.33 119.66 117.18 3ibo s GLN 28 Ca -0.17 -1.13 0.05 0.00 0.02 0.00 0.00 55.36 54.13 3ibo s GLN 28 Cb 0.03 -0.75 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 3ibo s GLN 28 CO 0.79 0.14 -0.18 0.12 -2.12 0.00 0.00 175.29 174.05 3ibo s PHE 29 N -1.98 1.63 -0.06 0.91 5.36 -0.36 -4.85 117.98 118.63 3ibo s PHE 29 Ca 0.04 -0.36 0.06 0.00 -0.96 0.00 0.00 56.93 55.72 3ibo s PHE 29 Cb -0.06 -1.06 -0.01 0.00 -0.34 0.00 0.00 43.02 41.55 3ibo s PHE 29 CO 0.02 -0.07 -0.25 0.99 -1.46 0.00 0.00 175.22 174.45 3ibo s THR 30 N -0.28 2.09 -0.18 0.12 2.01 -0.60 -1.72 115.64 117.09 3ibo s THR 30 Ca 0.04 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 3ibo s THR 30 Cb -0.08 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.68 3ibo s THR 30 CO 0.00 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 3ibo s VAL 31 N -0.16 2.47 -0.46 3.82 1.01 -0.04 -1.62 120.40 125.42 3ibo s VAL 31 Ca -0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3ibo s VAL 31 Cb -0.14 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.29 3ibo s VAL 31 CO 0.04 0.51 0.33 0.20 0.00 0.00 0.00 175.10 176.18 3ibo s ASN 32 N 1.17 5.74 -0.13 3.32 0.01 -0.33 -1.35 114.94 123.37 3ibo s ASN 32 Ca 0.02 -1.73 -0.15 0.00 -0.71 0.00 0.00 52.86 50.29 3ibo s ASN 32 Cb -0.14 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 3ibo s ASN 32 CO -0.07 -0.65 0.35 -0.22 -1.51 0.00 0.00 177.10 175.01 3ibo s LEU 33 N 1.42 4.29 0.19 0.60 2.96 -0.04 -1.28 118.68 126.81 3ibo s LEU 33 Ca 0.04 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 3ibo s LEU 33 Cb -0.25 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 3ibo s LEU 33 CO 0.01 0.11 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.17 3ibo s SER 34 N 0.26 1.80 -0.40 3.68 1.04 -0.78 -1.26 113.70 118.03 3ibo s SER 34 Ca 0.20 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.51 3ibo s SER 34 Cb -0.14 0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.12 3ibo s SER 34 CO 0.07 -0.44 0.21 -2.28 0.98 0.00 0.00 173.24 171.78 3ibo s HIS 35 N -3.39 1.66 0.63 5.02 2.46 -1.12 -1.24 115.29 119.31 3ibo s HIS 35 Ca 0.24 -2.13 -0.12 0.00 0.47 0.00 0.00 55.06 53.51 3ibo s HIS 35 Cb 0.04 -1.65 -0.03 0.00 -0.13 0.00 0.00 32.58 30.81 3ibo s HIS 35 CO 0.05 -0.81 1.04 -1.25 -2.47 0.00 0.00 174.74 171.30 3ibo s PRO 36 N 0.73 3.41 0.00 2.88 0.04 -1.24 -1.76 135.00 139.05 3ibo s PRO 36 Ca 0.16 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3ibo s PRO 36 Cb -0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3ibo s PRO 36 CO -0.04 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3ibo n GLY 37 N -2.26 0.60 0.00 0.56 0.00 -1.26 -4.08 105.19 98.75 3ibo n GLY 37 Ca 0.07 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3ibo n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ibo n ASN 38 N 0.00 0.66 -4.73 1.61 3.02 -1.26 -4.66 115.26 109.91 3ibo n ASN 38 Ca 0.00 -0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 53.93 3ibo n ASN 38 Cb 0.00 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.69 3ibo n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ibo s LEU 39 N -1.28 4.35 0.99 3.41 1.43 -1.26 -4.85 118.68 121.48 3ibo s LEU 39 Ca 0.00 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 3ibo s LEU 39 Cb 0.00 -3.12 0.19 0.00 0.03 0.00 0.00 46.19 43.29 3ibo s LEU 39 CO 0.00 -0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.44 3ibo s PRO 40 N 0.55 0.46 0.58 1.29 0.04 -1.26 -1.81 135.00 134.85 3ibo s PRO 40 Ca 0.38 0.47 0.35 0.00 0.04 0.00 0.00 61.00 62.24 3ibo s PRO 40 Cb -0.18 -1.74 1.78 0.00 0.04 0.00 0.00 34.50 34.40 3ibo s PRO 40 CO 0.19 -2.70 2.17 1.57 0.04 0.00 0.00 177.00 178.27 3ibo h LYS 41 N -1.87 0.00 0.00 4.56 2.10 -1.83 -1.42 116.57 118.11 3ibo h LYS 41 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3ibo h LYS 41 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3ibo h LYS 41 CO 0.58 0.04 0.00 -2.95 -2.00 0.00 0.00 179.45 175.13 3ibo h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.95 -2.38 115.58 117.25 3ibo h ASN 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3ibo h ASN 42 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 3ibo h ASN 42 CO 0.01 0.00 -0.84 1.33 0.07 0.00 0.00 177.43 177.99 3ibo n VAL 43 N -3.04 0.00 -2.73 6.14 0.24 -1.10 -4.85 118.33 113.00 3ibo n VAL 43 Ca 0.02 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 3ibo n VAL 43 Cb 0.38 0.51 0.08 0.00 -1.47 0.00 0.00 33.84 33.34 3ibo n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3ibo n MET 44 N -1.35 1.40 -2.51 7.34 0.00 -0.55 -5.04 117.12 116.42 3ibo n MET 44 Ca 0.00 -2.49 -0.40 0.00 -0.00 0.00 0.00 57.70 54.81 3ibo n MET 44 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 33.22 32.51 3ibo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3ibo s GLY 45 N -2.42 3.04 -0.02 -5.12 0.00 -0.90 -4.68 107.32 97.22 3ibo s GLY 45 Ca 0.21 0.85 0.04 0.00 0.00 0.00 0.00 44.72 45.82 3ibo s GLY 45 CO -0.06 1.43 -0.13 0.30 0.00 0.00 0.00 173.10 174.64 3ibo s HIS 46 N -1.22 1.28 0.24 1.90 3.76 -0.44 -4.63 115.29 116.19 3ibo s HIS 46 Ca 0.45 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 3ibo s HIS 46 Cb -0.30 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.48 3ibo s HIS 46 CO 0.39 -0.07 0.02 0.54 -0.85 0.00 0.00 174.74 174.77 3ibo s ASN 47 N -0.12 1.68 -0.24 1.40 2.20 -1.26 -0.48 114.94 118.11 3ibo s ASN 47 Ca 0.01 -1.26 0.02 0.00 -0.94 0.00 0.00 52.86 50.69 3ibo s ASN 47 Cb -0.07 0.04 0.06 0.00 -2.00 0.00 0.00 41.25 39.27 3ibo s ASN 47 CO 0.00 -0.57 -0.10 0.86 -2.94 0.00 0.00 177.10 174.36 3ibo s TRP 48 N -3.50 2.86 -0.07 1.54 -0.00 -1.26 -3.93 118.94 114.59 3ibo s TRP 48 Ca 0.30 -2.02 0.05 0.00 -0.00 0.00 0.00 56.10 54.44 3ibo s TRP 48 Cb 0.06 -1.78 -0.01 0.00 -0.00 0.00 0.00 33.47 31.74 3ibo s TRP 48 CO 0.10 -0.83 -0.23 0.08 -0.00 0.00 0.00 176.95 176.07 3ibo s VAL 49 N 1.24 1.95 -0.12 5.86 1.01 -0.24 -1.55 120.40 128.55 3ibo s VAL 49 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.93 3ibo s VAL 49 Cb -0.19 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3ibo s VAL 49 CO -0.06 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.22 3ibo s LEU 50 N 0.01 2.70 0.30 3.92 2.96 -0.03 -1.27 118.68 127.25 3ibo s LEU 50 Ca -0.08 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3ibo s LEU 50 Cb -0.15 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3ibo s LEU 50 CO 0.05 0.19 0.46 -0.94 -1.32 0.00 0.00 176.35 174.79 3ibo s SER 51 N 0.19 0.45 0.74 3.68 1.04 -0.90 -0.43 113.70 118.47 3ibo s SER 51 Ca -0.08 -1.27 -0.11 0.00 0.48 0.00 0.00 55.95 54.98 3ibo s SER 51 Cb -0.15 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.62 3ibo s SER 51 CO 0.05 -1.22 1.08 0.42 0.98 0.00 0.00 173.24 174.55 3ibo s THR 52 N -3.45 3.67 0.36 2.02 -4.23 -1.26 -1.08 115.64 111.66 3ibo s THR 52 Ca 0.28 0.54 0.06 0.00 -1.18 0.00 0.00 61.69 61.38 3ibo s THR 52 Cb -0.00 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.97 3ibo s THR 52 CO 0.15 -0.71 1.97 0.00 -0.54 0.00 0.00 174.62 175.50 3ibo h ALA 53 N -0.93 1.69 0.00 3.99 0.00 -1.46 -2.23 119.26 120.32 3ibo h ALA 53 Ca -0.44 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 3ibo h ALA 53 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ibo h ALA 53 CO 0.54 0.21 -0.59 0.00 0.00 0.00 0.00 179.25 179.42 3ibo h ALA 54 N 1.62 0.98 0.00 0.00 0.00 -1.92 -3.21 119.26 116.72 3ibo h ALA 54 Ca 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ibo h ALA 54 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ibo h ALA 54 CO -0.09 0.74 -0.48 -0.25 0.00 0.00 0.00 179.25 179.16 3ibo n ASP 55 N -3.76 0.50 0.02 0.00 8.00 -0.87 -4.53 116.55 115.90 3ibo n ASP 55 Ca -0.01 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3ibo n ASP 55 Cb 0.60 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 3ibo n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3ibo h MET 56 N 0.00 -0.48 -0.97 -1.24 1.85 -1.48 -2.15 114.93 110.46 3ibo h MET 56 Ca 0.00 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.21 3ibo h MET 56 Cb 0.56 0.11 -0.07 0.00 0.43 0.00 0.00 31.60 32.63 3ibo h MET 56 CO 0.00 -0.32 0.62 0.37 -0.40 0.00 0.00 176.91 177.17 3ibo h GLN 57 N -0.50 1.03 -0.54 0.39 5.75 -1.82 -1.26 115.11 118.16 3ibo h GLN 57 Ca 0.07 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 3ibo h GLN 57 Cb 0.62 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3ibo h GLN 57 CO -0.36 0.68 -0.09 0.78 -2.65 0.00 0.00 178.83 177.19 3ibo h GLY 58 N 1.06 1.11 0.98 2.39 0.00 -1.79 -1.18 103.07 105.64 3ibo h GLY 58 Ca 0.44 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3ibo h GLY 58 CO -0.21 0.81 -0.08 -2.08 0.00 0.00 0.00 176.54 174.98 3ibo h VAL 59 N 0.90 1.27 0.16 4.60 2.07 -0.84 -1.77 116.25 122.65 3ibo h VAL 59 Ca 0.14 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3ibo h VAL 59 Cb 0.66 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ibo h VAL 59 CO 0.05 0.39 -0.08 0.58 0.02 0.00 0.00 177.57 178.53 3ibo h VAL 60 N 0.60 0.92 -0.15 2.57 2.07 -1.14 -0.66 116.25 120.45 3ibo h VAL 60 Ca 0.11 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3ibo h VAL 60 Cb 0.60 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ibo h VAL 60 CO 0.04 0.08 0.07 0.74 0.02 0.00 0.00 177.57 178.51 3ibo h THR 61 N -0.39 1.15 0.00 2.57 2.02 -1.24 -1.16 112.91 115.86 3ibo h THR 61 Ca -0.02 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3ibo h THR 61 Cb 0.30 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3ibo h THR 61 CO 0.04 0.14 0.00 0.44 0.37 0.00 0.00 175.52 176.50 3ibo h ASP 62 N 0.10 0.00 -0.04 4.18 3.32 -1.38 -2.74 116.42 119.87 3ibo h ASP 62 Ca 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 3ibo h ASP 62 Cb 0.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3ibo h ASP 62 CO -0.00 0.00 -0.56 1.23 -1.72 0.00 0.00 179.24 178.18 3ibo h GLY 63 N 2.42 0.50 0.92 2.75 0.00 -0.64 -2.96 103.07 106.06 3ibo h GLY 63 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.56 3ibo h GLY 63 CO 0.00 0.71 0.66 1.98 0.00 0.00 0.00 176.54 179.89 3ibo h MET 64 N -0.02 1.25 0.00 4.80 1.85 -0.93 -2.15 114.93 119.74 3ibo h MET 64 Ca -0.06 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 58.92 3ibo h MET 64 Cb 1.25 -0.28 -0.01 0.00 0.43 0.00 0.00 31.60 32.99 3ibo h MET 64 CO 0.11 0.83 -0.18 0.00 -0.40 0.00 0.00 176.91 177.28 3ibo h ALA 65 N 1.40 1.11 0.00 0.39 0.00 -1.54 -3.08 119.26 117.53 3ibo h ALA 65 Ca 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ibo h ALA 65 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ibo h ALA 65 CO -0.11 0.22 -0.33 1.03 0.00 0.00 0.00 179.25 180.06 3ibo h SER 66 N 0.00 0.00 -4.27 0.00 0.87 -1.21 -3.50 113.55 105.44 3ibo h SER 66 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ibo h SER 66 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3ibo h SER 66 CO 0.02 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 3ibo n GLY 67 N 0.47 -1.10 0.35 5.77 0.00 -1.17 -4.38 105.19 105.12 3ibo n GLY 67 Ca 0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 3ibo n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibo h LEU 68 N 0.00 1.00 -1.71 0.99 5.85 -1.92 -1.32 115.31 118.21 3ibo h LEU 68 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ibo h LEU 68 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3ibo h LEU 68 CO 0.00 0.69 0.00 -2.24 -0.34 0.00 0.00 178.44 176.55 3ibo h ASP 69 N 1.17 0.00 -0.22 1.25 2.03 -2.02 -1.45 116.42 117.18 3ibo h ASP 69 Ca 0.36 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.66 3ibo h ASP 69 Cb -0.02 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.48 3ibo h ASP 69 CO -0.11 0.00 -0.00 0.29 -1.03 0.00 0.00 179.24 178.39 3ibo n LYS 70 N -2.61 2.70 -2.35 4.15 4.76 -1.01 -4.96 118.16 118.84 3ibo n LYS 70 Ca -0.01 -2.81 -0.19 0.00 -2.87 0.00 0.00 58.31 52.43 3ibo n LYS 70 Cb 0.13 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.50 3ibo n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ibo n ASP 71 N -0.64 -5.42 -3.82 4.39 9.92 -0.55 -2.43 116.55 118.00 3ibo n ASP 71 Ca 0.21 0.06 -0.28 0.00 -0.53 0.00 0.00 54.79 54.25 3ibo n ASP 71 Cb 0.86 -4.55 0.04 0.00 -0.64 0.00 0.00 41.12 36.83 3ibo n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ibo n TYR 72 N -3.75 -2.46 -3.84 1.24 4.01 -0.53 -4.74 117.16 107.08 3ibo n TYR 72 Ca -0.22 0.94 -0.12 0.00 -0.16 0.00 0.00 57.90 58.33 3ibo n TYR 72 Cb 0.67 -4.30 -0.13 0.00 -0.31 0.00 0.00 39.34 35.26 3ibo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ibo s LEU 73 N -7.27 1.66 -0.03 7.72 1.43 -1.02 -4.25 118.68 116.93 3ibo s LEU 73 Ca 0.62 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 3ibo s LEU 73 Cb -0.30 0.24 -0.06 0.00 0.03 0.00 0.00 46.19 46.10 3ibo s LEU 73 CO 0.80 -0.03 1.59 -0.75 0.23 0.00 0.00 176.35 178.18 3ibo s LYS 74 N 0.12 4.21 0.04 1.70 2.20 -1.26 -4.86 119.74 121.89 3ibo s LYS 74 Ca -0.01 2.15 -0.35 0.00 -0.36 0.00 0.00 55.97 57.40 3ibo s LYS 74 Cb -0.01 -3.83 -0.14 0.00 -1.51 0.00 0.00 37.83 32.34 3ibo s LYS 74 CO -0.00 -0.77 1.63 -2.30 -0.36 0.00 0.00 175.35 173.55 3ibo n PRO 75 N 6.50 1.88 -3.60 4.03 -0.02 -1.26 -2.30 135.00 140.23 3ibo n PRO 75 Ca 0.16 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 3ibo n PRO 75 Cb 0.43 -2.44 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3ibo n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ibo n ASP 76 N 4.28 -5.42 -4.65 2.55 9.92 -1.26 -4.90 116.55 117.06 3ibo n ASP 76 Ca 0.20 -0.57 -0.42 0.00 -0.53 0.00 0.00 54.79 53.46 3ibo n ASP 76 Cb 0.26 -4.33 -0.03 0.00 -0.64 0.00 0.00 41.12 36.38 3ibo n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ibo s ASP 77 N -3.13 6.32 0.48 -2.24 -1.08 -0.97 -4.87 116.67 111.18 3ibo s ASP 77 Ca 0.55 2.58 0.32 0.00 -0.52 0.00 0.00 52.55 55.49 3ibo s ASP 77 Cb -0.26 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.23 3ibo s ASP 77 CO 0.68 -1.17 1.98 0.77 0.52 0.00 0.00 175.17 177.94 3ibo h SER 78 N 11.18 0.00 1.60 -0.34 4.64 -1.91 -2.22 113.55 126.50 3ibo h SER 78 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3ibo h SER 78 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3ibo h SER 78 CO 0.94 0.00 -0.09 0.03 -0.87 0.00 0.00 176.83 176.84 3ibo h ARG 79 N 0.00 0.00 -5.99 4.77 3.08 -1.97 -3.43 114.38 110.83 3ibo h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3ibo h ARG 79 Cb 0.24 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.19 3ibo h ARG 79 CO 0.00 0.00 0.54 0.08 -1.07 0.00 0.00 179.97 179.52 3ibo s VAL 80 N -3.16 4.64 0.02 2.04 1.01 -0.84 -4.43 120.40 119.69 3ibo s VAL 80 Ca 0.08 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 3ibo s VAL 80 Cb 0.10 -4.29 -0.34 0.00 0.00 0.00 0.00 36.38 31.85 3ibo s VAL 80 CO 0.64 -0.47 1.01 0.40 0.00 0.00 0.00 175.10 176.68 3ibo h ILE 81 N 5.77 1.31 -2.49 2.22 2.04 -1.03 -3.48 117.51 121.85 3ibo h ILE 81 Ca -0.23 -2.63 -0.09 0.00 1.00 0.00 0.00 64.86 62.91 3ibo h ILE 81 Cb 1.08 3.00 -0.20 0.00 -0.74 0.00 0.00 36.82 39.97 3ibo h ILE 81 CO 0.96 0.78 -0.03 0.00 0.00 0.00 0.00 178.15 179.86 3ibo s ALA 82 N -2.65 -1.30 -0.11 1.87 0.00 -1.22 -5.01 121.76 113.32 3ibo s ALA 82 Ca -0.10 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 3ibo s ALA 82 Cb 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.19 3ibo s ALA 82 CO 0.93 -0.31 0.50 1.14 0.00 0.00 0.00 175.76 178.02 3ibo s GLN 83 N -1.17 0.73 0.51 0.00 -2.07 -1.26 -0.85 119.66 115.54 3ibo s GLN 83 Ca -0.12 0.37 0.09 0.00 -1.82 0.00 0.00 55.36 53.88 3ibo s GLN 83 Cb -0.03 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 32.29 3ibo s GLN 83 CO 0.07 -0.16 0.69 0.95 -1.32 0.00 0.00 175.29 175.52 3ibo s THR 84 N -0.49 2.44 0.72 3.63 -4.23 -0.60 -4.81 115.64 112.30 3ibo s THR 84 Ca -0.06 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.31 3ibo s THR 84 Cb -0.03 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3ibo s THR 84 CO 0.04 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.67 3ibo s LYS 85 N -4.53 2.75 -0.28 3.99 1.02 -1.26 -4.57 119.74 116.86 3ibo s LYS 85 Ca 0.58 0.55 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 3ibo s LYS 85 Cb -0.07 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3ibo s LYS 85 CO 0.36 -1.13 0.91 -1.17 -0.92 0.00 0.00 175.35 173.39 3ibo s LEU 86 N -5.45 4.05 0.09 3.17 2.96 -1.26 -4.38 118.68 117.87 3ibo s LEU 86 Ca 0.58 0.99 0.07 0.00 -0.22 0.00 0.00 54.13 55.55 3ibo s LEU 86 Cb -0.12 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3ibo s LEU 86 CO 0.53 -0.65 -0.09 0.27 -1.32 0.00 0.00 176.35 175.08 3ibo s ILE 87 N 3.11 3.42 0.24 6.68 -4.36 0.36 -4.85 121.20 125.81 3ibo s ILE 87 Ca 0.38 -1.20 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 3ibo s ILE 87 Cb -0.14 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.01 3ibo s ILE 87 CO 0.10 0.15 0.24 0.61 0.24 0.00 0.00 174.94 176.28 3ibo n GLY 88 N 0.80 2.52 3.74 6.27 0.00 -1.26 -1.32 105.19 115.94 3ibo n GLY 88 Ca -0.13 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 3ibo n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ibo s SER 89 N -2.42 6.35 0.00 1.61 0.15 -0.75 -2.33 113.70 116.31 3ibo s SER 89 Ca 0.18 2.96 0.00 0.00 0.70 0.00 0.00 55.95 59.79 3ibo s SER 89 Cb -0.01 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3ibo s SER 89 CO 0.12 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.22 3ibo n GLY 90 N 2.51 1.04 3.77 9.45 0.00 -0.72 -4.94 105.19 116.29 3ibo n GLY 90 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3ibo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibo s GLU 91 N -0.08 2.76 0.09 1.61 2.02 -0.98 -5.00 118.70 119.12 3ibo s GLU 91 Ca 0.00 -1.06 -0.09 0.00 0.02 0.00 0.00 54.97 53.84 3ibo s GLU 91 Cb 0.00 -2.50 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 3ibo s GLU 91 CO 0.00 0.43 0.19 -1.59 0.02 0.00 0.00 175.26 174.31 3ibo s LYS 92 N -3.49 0.86 -0.15 1.61 -2.85 -1.26 -2.80 119.74 111.67 3ibo s LYS 92 Ca 0.31 -0.97 -0.29 0.00 -1.00 0.00 0.00 55.97 54.02 3ibo s LYS 92 Cb -0.08 0.34 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 3ibo s LYS 92 CO 0.23 -0.28 0.75 0.34 0.10 0.00 0.00 175.35 176.49 3ibo s ASP 93 N -2.87 -0.65 0.09 0.03 2.15 -0.39 -5.02 116.67 110.01 3ibo s ASP 93 Ca 0.06 0.94 0.09 0.00 0.43 0.00 0.00 52.55 54.07 3ibo s ASP 93 Cb 0.05 0.85 -0.03 0.00 -0.30 0.00 0.00 42.92 43.48 3ibo s ASP 93 CO -0.10 -0.44 -0.23 -0.44 -0.17 0.00 0.00 175.17 173.79 3ibo s SER 94 N -0.57 2.81 -0.04 -0.34 0.01 -1.26 -0.86 113.70 113.44 3ibo s SER 94 Ca -0.06 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.57 3ibo s SER 94 Cb -0.02 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.03 3ibo s SER 94 CO 0.05 0.14 -0.06 0.54 0.41 0.00 0.00 173.24 174.33 3ibo s VAL 95 N -0.99 0.61 -0.07 3.43 0.11 -0.46 -4.92 120.40 118.12 3ibo s VAL 95 Ca 0.09 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 3ibo s VAL 95 Cb -0.10 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3ibo s VAL 95 CO 0.04 0.24 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.91 3ibo s THR 96 N 0.81 1.98 0.08 5.04 2.01 -1.26 -0.86 115.64 123.44 3ibo s THR 96 Ca -0.12 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.88 3ibo s THR 96 Cb -0.14 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3ibo s THR 96 CO 0.01 0.55 -0.06 0.72 -0.69 0.00 0.00 174.62 175.15 3ibo s PHE 97 N -0.02 0.74 0.11 4.92 -0.71 -0.70 -4.96 117.98 117.35 3ibo s PHE 97 Ca -0.07 -0.89 -0.30 0.00 -1.04 0.00 0.00 56.93 54.63 3ibo s PHE 97 Cb -0.14 -0.45 -0.07 0.00 -1.21 0.00 0.00 43.02 41.14 3ibo s PHE 97 CO 0.05 -0.20 1.22 -0.51 -1.34 0.00 0.00 175.22 174.44 3ibo s ASP 98 N -2.76 7.05 0.28 1.98 1.01 -1.26 -1.22 116.67 121.75 3ibo s ASP 98 Ca 0.07 2.12 0.24 0.00 0.71 0.00 0.00 52.55 55.69 3ibo s ASP 98 Cb 0.03 -2.59 1.04 0.00 1.01 0.00 0.00 42.92 42.41 3ibo s ASP 98 CO -0.05 -0.46 1.72 0.52 0.21 0.00 0.00 175.17 177.11 3ibo n VAL 99 N 3.48 0.85 0.36 -1.27 0.31 -0.45 -2.15 118.33 119.46 3ibo n VAL 99 Ca 0.08 0.31 0.11 0.00 -0.01 0.00 0.00 64.34 64.83 3ibo n VAL 99 Cb 0.45 -1.26 0.48 0.00 -0.91 0.00 0.00 33.84 32.60 3ibo n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ibo n SER 100 N -2.28 0.57 0.03 4.52 3.41 -1.26 -1.20 113.62 117.41 3ibo n SER 100 Ca 0.01 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3ibo n SER 100 Cb 0.20 -0.77 0.54 0.00 -0.26 0.00 0.00 64.21 63.92 3ibo n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ibo n LYS 101 N -2.15 0.09 -3.95 4.33 5.02 -0.91 -4.73 118.16 115.85 3ibo n LYS 101 Ca 0.02 0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 3ibo n LYS 101 Cb 0.19 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 3ibo n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibo s LEU 102 N -3.50 4.07 0.11 -0.35 1.43 -0.34 -5.11 118.68 114.99 3ibo s LEU 102 Ca 0.13 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3ibo s LEU 102 Cb 0.17 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3ibo s LEU 102 CO 0.56 0.29 -0.05 -0.54 0.23 0.00 0.00 176.35 176.84 3ibo s LYS 103 N -0.29 2.33 0.22 1.70 1.02 -1.26 -5.02 119.74 118.44 3ibo s LYS 103 Ca 0.10 -0.96 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 3ibo s LYS 103 Cb -0.12 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 3ibo s LYS 103 CO 0.01 0.51 1.53 -2.00 -0.92 0.00 0.00 175.35 174.49 3ibo s GLU 104 N -2.35 4.21 0.00 1.68 2.56 -1.26 -2.61 118.70 120.93 3ibo s GLU 104 Ca 0.24 2.39 0.00 0.00 0.00 0.00 0.00 54.97 57.60 3ibo s GLU 104 Cb -0.11 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.91 3ibo s GLU 104 CO 0.16 -0.55 0.00 0.41 -0.56 0.00 0.00 175.26 174.72 3ibo n GLY 105 N 2.88 2.58 3.84 -1.50 0.00 -1.26 -5.02 105.19 106.70 3ibo n GLY 105 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3ibo n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibo s GLU 106 N -0.16 4.05 -0.15 1.61 0.41 -1.07 -5.08 118.70 118.31 3ibo s GLU 106 Ca 0.00 0.60 -0.04 0.00 -0.41 0.00 0.00 54.97 55.11 3ibo s GLU 106 Cb 0.00 -2.89 -0.03 0.00 -1.78 0.00 0.00 34.13 29.43 3ibo s GLU 106 CO 0.00 0.44 -0.01 -0.65 -0.49 0.00 0.00 175.26 174.54 3ibo s GLN 107 N -2.04 3.62 0.24 1.61 -1.52 -1.26 -4.65 119.66 115.66 3ibo s GLN 107 Ca 0.40 -0.47 0.11 0.00 -1.95 0.00 0.00 55.36 53.45 3ibo s GLN 107 Cb -0.15 -2.95 -0.05 0.00 -0.22 0.00 0.00 33.01 29.64 3ibo s GLN 107 CO 0.20 0.32 -0.17 0.71 -0.25 0.00 0.00 175.29 176.09 3ibo s TYR 108 N 0.17 2.39 -0.02 0.91 2.02 -0.30 -1.26 117.35 121.26 3ibo s TYR 108 Ca -0.00 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3ibo s TYR 108 Cb -0.13 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3ibo s TYR 108 CO 0.02 0.62 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.85 3ibo s MET 109 N -3.22 1.23 0.03 -0.62 -1.94 -0.24 -1.31 119.30 113.24 3ibo s MET 109 Ca 0.27 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.82 3ibo s MET 109 Cb -0.06 -1.15 -0.04 0.00 2.01 0.00 0.00 34.83 35.60 3ibo s MET 109 CO 0.14 0.24 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.73 3ibo s PHE 110 N -0.10 2.86 0.19 -0.03 -0.71 0.09 -2.12 117.98 118.15 3ibo s PHE 110 Ca 0.01 -0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 55.60 3ibo s PHE 110 Cb -0.08 -1.57 0.05 0.00 -1.21 0.00 0.00 43.02 40.22 3ibo s PHE 110 CO 0.00 0.39 0.82 -0.59 -1.34 0.00 0.00 175.22 174.50 3ibo s PHE 111 N -1.06 -0.22 -0.13 3.49 -0.71 -0.40 -1.03 117.98 117.92 3ibo s PHE 111 Ca 0.18 -0.12 -0.06 0.00 -1.04 0.00 0.00 56.93 55.90 3ibo s PHE 111 Cb -0.11 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 3ibo s PHE 111 CO 0.09 -0.96 0.08 0.00 -1.34 0.00 0.00 175.22 173.10 3ibo n THR 113 N 2.50 0.38 -1.98 0.00 -2.24 -1.26 -3.49 114.28 108.18 3ibo n THR 113 Ca -0.19 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.55 3ibo n THR 113 Cb 0.54 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 3ibo n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ibo s PHE 114 N -1.62 2.96 -0.46 4.78 2.19 -1.26 -4.41 117.98 120.16 3ibo s PHE 114 Ca 0.36 1.03 -0.44 0.00 0.33 0.00 0.00 56.93 58.21 3ibo s PHE 114 Cb 0.21 -3.85 -0.18 0.00 -1.31 0.00 0.00 43.02 37.89 3ibo s PHE 114 CO 0.31 -2.75 1.87 -2.30 1.83 0.00 0.00 175.22 174.18 3ibo n PRO 115 N 2.13 0.24 0.00 10.12 -0.02 -1.26 -1.16 135.00 145.05 3ibo n PRO 115 Ca 0.06 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3ibo n PRO 115 Cb 0.40 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3ibo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibo n GLY 116 N 5.56 3.16 0.34 -1.23 0.00 -1.26 -4.91 105.19 106.85 3ibo n GLY 116 Ca 0.40 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.46 3ibo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ibo h HIS 117 N 0.00 0.73 0.00 1.61 3.86 -1.42 -2.93 115.15 116.99 3ibo h HIS 117 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3ibo h HIS 117 Cb 0.00 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.23 3ibo h HIS 117 CO 0.00 0.43 0.00 -1.13 0.86 0.00 0.00 177.93 178.09 3ibo n SER 118 N -4.46 0.00 -0.02 2.45 3.41 -1.23 -0.25 113.62 113.52 3ibo n SER 118 Ca 0.07 0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 59.00 3ibo n SER 118 Cb 0.12 -0.41 0.09 0.00 -0.26 0.00 0.00 64.21 63.75 3ibo n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibo h ALA 119 N 2.12 0.83 0.00 7.33 0.00 -1.87 -3.36 119.26 124.30 3ibo h ALA 119 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3ibo h ALA 119 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ibo h ALA 119 CO 0.00 0.65 -1.42 1.28 0.00 0.00 0.00 179.25 179.75 3ibo n LEU 120 N -4.04 0.66 -4.13 0.00 4.77 -0.92 -4.87 117.00 108.48 3ibo n LEU 120 Ca -0.02 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 3ibo n LEU 120 Cb 0.51 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3ibo n LEU 120 CO 0.45 0.26 1.67 0.23 -1.33 0.00 0.00 177.39 178.67 3ibo n MET 121 N -2.34 3.54 -3.73 3.23 2.81 0.65 -4.73 117.12 116.56 3ibo n MET 121 Ca -0.11 -3.71 -0.10 0.00 -1.81 0.00 0.00 57.70 51.97 3ibo n MET 121 Cb 0.69 -2.96 -0.05 0.00 -0.71 0.00 0.00 33.22 30.19 3ibo n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3ibo s LYS 122 N 0.76 1.18 0.15 0.03 0.00 -1.26 -2.30 119.74 118.29 3ibo s LYS 122 Ca 0.41 -0.85 -0.25 0.00 0.00 0.00 0.00 55.97 55.28 3ibo s LYS 122 Cb 0.04 0.47 0.06 0.00 0.00 0.00 0.00 37.83 38.40 3ibo s LYS 122 CO 0.01 -0.47 0.94 0.20 0.00 0.00 0.00 175.35 176.02 3ibo s GLY 123 N -2.86 -0.24 -0.08 0.59 0.00 -0.20 -4.75 107.32 99.79 3ibo s GLY 123 Ca 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 3ibo s GLY 123 CO -0.07 0.02 0.15 -0.51 0.00 0.00 0.00 173.10 172.70 3ibo s THR 124 N -3.31 5.46 -0.01 0.90 -4.23 -0.90 -0.73 115.64 112.81 3ibo s THR 124 Ca 0.12 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 3ibo s THR 124 Cb -0.02 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.38 3ibo s THR 124 CO 0.02 0.51 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.35 3ibo s LEU 125 N -1.36 1.85 0.18 4.79 0.20 -0.42 -1.08 118.68 122.84 3ibo s LEU 125 Ca 0.19 -0.07 -0.24 0.00 0.69 0.00 0.00 54.13 54.70 3ibo s LEU 125 Cb -0.12 -0.23 0.05 0.00 -0.43 0.00 0.00 46.19 45.46 3ibo s LEU 125 CO 0.09 0.02 0.84 -1.38 -0.29 0.00 0.00 176.35 175.63 3ibo s HIS 126 N 0.12 -0.21 0.26 5.38 -3.43 -1.09 -1.15 115.29 115.16 3ibo s HIS 126 Ca -0.01 -0.12 -0.29 0.00 -0.80 0.00 0.00 55.06 53.84 3ibo s HIS 126 Cb -0.04 0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 31.66 3ibo s HIS 126 CO -0.00 -0.94 1.27 -0.51 -2.00 0.00 0.00 174.74 172.56 3ibo s LEU 127 N -2.87 4.45 0.00 5.38 1.43 -1.26 -1.43 118.68 124.38 3ibo s LEU 127 Ca 0.10 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3ibo s LEU 127 Cb -0.03 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3ibo s LEU 127 CO 0.01 -0.46 0.43 1.17 0.23 0.00 0.00 176.35 177.73