#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 4.35 -0.07 0.00 -0.21 -1.26 -4.91 119.66 117.56 3ibo s GLN 2 Ca 0.00 1.58 0.18 0.00 0.02 0.00 0.00 55.36 57.14 3ibo s GLN 2 Cb 0.00 -3.58 0.37 0.00 1.00 0.00 0.00 33.01 30.80 3ibo s GLN 2 CO 0.00 -0.45 1.16 0.00 -2.12 0.00 0.00 175.29 173.89 3ibo s SER 4 N -2.33 -0.10 -0.09 0.00 1.04 -1.26 -1.54 113.70 109.41 3ibo s SER 4 Ca 0.31 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 3ibo s SER 4 Cb 0.33 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.86 3ibo s SER 4 CO -0.10 -0.70 0.23 0.54 0.98 0.00 0.00 173.24 174.19 3ibo s VAL 5 N -3.12 -0.02 -0.35 5.02 0.11 -0.56 -4.96 120.40 116.53 3ibo s VAL 5 Ca -0.01 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 3ibo s VAL 5 Cb 0.01 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3ibo s VAL 5 CO -0.07 0.02 0.24 -1.81 -3.33 0.00 0.00 175.10 170.15 3ibo s ASP 6 N 0.55 6.01 -0.03 3.54 1.01 -1.26 -1.27 116.67 125.22 3ibo s ASP 6 Ca -0.04 -0.52 0.07 0.00 0.71 0.00 0.00 52.55 52.78 3ibo s ASP 6 Cb -0.05 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3ibo s ASP 6 CO -0.03 -0.27 -0.24 -0.51 0.21 0.00 0.00 175.17 174.34 3ibo s ILE 7 N 1.70 2.25 -0.04 0.77 2.07 -0.22 -4.97 121.20 122.75 3ibo s ILE 7 Ca 0.06 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 3ibo s ILE 7 Cb -0.18 -1.80 -0.03 0.00 0.13 0.00 0.00 42.46 40.59 3ibo s ILE 7 CO 0.10 0.58 -0.14 -1.10 -1.91 0.00 0.00 174.94 172.47 3ibo s GLN 8 N -0.63 2.48 -0.14 3.50 -0.21 -1.26 -1.71 119.66 121.68 3ibo s GLN 8 Ca 0.10 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3ibo s GLN 8 Cb -0.10 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.56 3ibo s GLN 8 CO -0.01 0.62 -0.16 0.20 -2.12 0.00 0.00 175.29 173.82 3ibo s GLY 9 N -0.80 1.15 0.00 3.09 0.00 -0.74 -1.79 107.32 108.22 3ibo s GLY 9 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3ibo s GLY 9 CO 0.01 0.34 0.00 1.16 0.00 0.00 0.00 173.10 174.61 3ibo n ASN 10 N 4.49 1.16 0.12 1.64 0.23 -0.93 -3.74 115.26 118.23 3ibo n ASN 10 Ca -0.18 -0.94 0.12 0.00 -0.53 0.00 0.00 54.58 53.04 3ibo n ASN 10 Cb 0.51 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.67 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 -1.74 0.70 -0.59 0.53 8.00 -1.26 -2.70 116.55 119.48 3ibo n ASP 11 Ca 0.00 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.21 3ibo n ASP 11 Cb 0.00 -0.80 0.27 0.00 -0.02 0.00 0.00 41.12 40.57 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 -2.23 1.75 -3.49 -1.24 3.00 -1.26 -4.92 117.38 108.99 3ibo n GLN 12 Ca 0.03 -1.15 -0.19 0.00 -0.01 0.00 0.00 57.00 55.68 3ibo n GLN 12 Cb 0.29 -1.33 0.08 0.00 0.00 0.00 0.00 30.24 29.29 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 0.40 -6.96 -4.20 -1.09 1.56 -1.10 -5.02 117.12 100.71 3ibo n MET 13 Ca 0.14 0.83 -0.17 0.00 -0.27 0.00 0.00 57.70 58.23 3ibo n MET 13 Cb 0.31 -5.85 -0.13 0.00 2.15 0.00 0.00 33.22 29.70 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 -5.66 0.72 0.18 2.12 -1.52 -1.26 -4.27 119.66 109.98 3ibo s GLN 14 Ca 0.17 -0.74 -0.04 0.00 -1.95 0.00 0.00 55.36 52.81 3ibo s GLN 14 Cb -0.08 -0.66 -0.05 0.00 -0.22 0.00 0.00 33.01 32.00 3ibo s GLN 14 CO 0.73 0.15 0.41 -0.06 -0.25 0.00 0.00 175.29 176.28 3ibo s PHE 15 N -1.03 3.47 -0.27 0.91 0.08 -1.26 -2.18 117.98 117.71 3ibo s PHE 15 Ca -0.03 0.53 0.28 0.00 0.12 0.00 0.00 56.93 57.83 3ibo s PHE 15 Cb -0.08 -1.99 0.97 0.00 -0.57 0.00 0.00 43.02 41.34 3ibo s PHE 15 CO 0.01 0.37 1.81 -2.95 -0.10 0.00 0.00 175.22 174.36 3ibo h ASN 16 N 2.43 0.00 -4.85 1.36 -1.07 -1.74 -3.44 115.58 108.27 3ibo h ASN 16 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 55.70 3ibo h ASN 16 Cb 1.17 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.21 3ibo h ASN 16 CO 0.70 0.00 -0.71 0.28 0.07 0.00 0.00 177.43 177.77 3ibo s THR 17 N -3.41 0.21 -0.06 6.14 -1.32 -1.26 -5.05 115.64 110.90 3ibo s THR 17 Ca 0.04 -0.89 0.08 0.00 -1.21 0.00 0.00 61.69 59.72 3ibo s THR 17 Cb 0.09 -0.33 0.12 0.00 -1.51 0.00 0.00 72.50 70.87 3ibo s THR 17 CO 0.55 -0.44 1.03 0.59 -2.21 0.00 0.00 174.62 174.14 3ibo n ASN 18 N 1.67 1.84 -3.51 8.08 3.02 -1.26 -4.87 115.26 120.23 3ibo n ASN 18 Ca -0.23 -2.39 -0.07 0.00 -0.03 0.00 0.00 54.58 51.86 3ibo n ASN 18 Cb 0.55 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.66 -1.32 -0.04 5.41 0.00 -1.26 -1.76 121.76 121.13 3ibo s ALA 19 Ca 0.14 1.43 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3ibo s ALA 19 Cb 0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 3ibo s ALA 19 CO 0.01 -0.99 -0.24 0.42 0.00 0.00 0.00 175.76 174.96 3ibo s ILE 20 N 2.64 1.98 -0.11 0.00 1.01 -0.43 -4.99 121.20 121.30 3ibo s ILE 20 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3ibo s ILE 20 Cb -0.13 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.69 3ibo s ILE 20 CO -0.15 0.55 -0.10 0.28 0.00 0.00 0.00 174.94 175.53 3ibo s THR 21 N -0.27 1.12 -0.21 2.92 -1.32 -1.26 -3.42 115.64 113.19 3ibo s THR 21 Ca 0.00 -0.38 -0.17 0.00 -1.21 0.00 0.00 61.69 59.94 3ibo s THR 21 Cb -0.12 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 3ibo s THR 21 CO 0.02 0.38 0.46 -0.69 -2.21 0.00 0.00 174.62 172.58 3ibo s VAL 22 N 1.45 5.14 0.20 5.08 1.01 -0.92 -4.90 120.40 127.47 3ibo s VAL 22 Ca 0.01 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3ibo s VAL 22 Cb -0.13 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 3ibo s VAL 22 CO -0.06 0.19 1.39 -0.62 0.00 0.00 0.00 175.10 176.01 3ibo s ASP 23 N 1.18 6.76 0.58 3.32 -1.08 -1.24 0.33 116.67 126.53 3ibo s ASP 23 Ca 0.21 2.52 0.34 0.00 -0.52 0.00 0.00 52.55 55.09 3ibo s ASP 23 Cb -0.15 -2.61 1.78 0.00 -1.46 0.00 0.00 42.92 40.48 3ibo s ASP 23 CO 0.09 -0.64 2.17 0.11 0.52 0.00 0.00 175.17 177.43 3ibo h LYS 24 N 5.55 0.00 0.00 4.34 1.57 -1.96 -2.48 116.57 123.59 3ibo h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 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 0.80 0.05 -0.15 -1.13 -0.57 0.00 0.00 179.45 178.45 3ibo n SER 25 N -3.43 0.23 -4.72 0.86 3.41 -1.26 -4.82 113.62 103.90 3ibo n SER 25 Ca -0.02 0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 3ibo n SER 25 Cb 0.18 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3ibo n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibo h LYS 27 N 6.20 0.51 -4.84 0.00 3.64 -1.88 -3.42 116.57 116.77 3ibo h LYS 27 Ca -0.42 -0.85 -0.30 0.00 -1.27 0.00 0.00 60.65 57.80 3ibo h LYS 27 Cb 1.21 0.31 -0.19 0.00 -0.41 0.00 0.00 32.23 33.16 3ibo h LYS 27 CO 0.76 1.41 -0.73 -0.65 -2.27 0.00 0.00 179.45 177.96 3ibo s GLN 28 N -2.64 0.74 -0.06 1.90 -0.21 -1.26 -1.59 119.66 116.53 3ibo s GLN 28 Ca -0.08 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.30 3ibo s GLN 28 Cb 0.05 -0.45 0.01 0.00 1.00 0.00 0.00 33.01 33.61 3ibo s GLN 28 CO 0.94 0.07 -0.15 0.12 -2.12 0.00 0.00 175.29 174.15 3ibo s PHE 29 N -2.11 1.68 -0.10 0.91 5.36 -0.45 -4.85 117.98 118.42 3ibo s PHE 29 Ca 0.00 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 3ibo s PHE 29 Cb -0.05 -1.18 -0.02 0.00 -0.34 0.00 0.00 43.02 41.43 3ibo s PHE 29 CO -0.00 -0.27 -0.10 0.99 -1.46 0.00 0.00 175.22 174.38 3ibo s THR 30 N 0.46 3.39 -0.20 0.12 2.01 -0.59 -1.76 115.64 119.08 3ibo s THR 30 Ca -0.13 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3ibo s THR 30 Cb -0.15 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 69.97 3ibo s THR 30 CO 0.04 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.67 3ibo s VAL 31 N -0.21 2.28 -0.45 3.82 1.01 0.10 -1.50 120.40 125.45 3ibo s VAL 31 Ca 0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3ibo s VAL 31 Cb -0.13 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.34 3ibo s VAL 31 CO 0.03 0.46 0.32 0.20 0.00 0.00 0.00 175.10 176.11 3ibo s ASN 32 N 1.30 5.73 -0.07 3.32 0.01 -0.40 -1.74 114.94 123.09 3ibo s ASN 32 Ca 0.04 -1.68 -0.16 0.00 -0.71 0.00 0.00 52.86 50.35 3ibo s ASN 32 Cb -0.14 -2.02 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 3ibo s ASN 32 CO -0.11 -0.63 0.43 -0.22 -1.51 0.00 0.00 177.10 175.06 3ibo s LEU 33 N 1.42 4.36 0.13 0.60 2.96 0.23 -1.06 118.68 127.33 3ibo s LEU 33 Ca 0.04 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 3ibo s LEU 33 Cb -0.25 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 3ibo s LEU 33 CO 0.01 0.16 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.17 3ibo s SER 34 N -0.17 1.60 -0.47 3.68 1.04 -0.69 -1.08 113.70 117.61 3ibo s SER 34 Ca 0.24 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.68 3ibo s SER 34 Cb -0.16 0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.12 3ibo s SER 34 CO 0.11 -0.37 0.26 -2.28 0.98 0.00 0.00 173.24 171.94 3ibo s HIS 35 N -3.42 2.29 0.92 5.02 2.46 -0.93 -1.80 115.29 119.84 3ibo s HIS 35 Ca 0.16 -2.63 -0.15 0.00 0.47 0.00 0.00 55.06 52.91 3ibo s HIS 35 Cb 0.03 -2.09 0.16 0.00 -0.13 0.00 0.00 32.58 30.55 3ibo s HIS 35 CO -0.01 -0.76 1.27 -1.25 -2.47 0.00 0.00 174.74 171.52 3ibo s PRO 36 N 0.10 1.04 0.00 2.88 0.04 -1.25 -1.23 135.00 136.59 3ibo s PRO 36 Ca 0.18 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3ibo s PRO 36 Cb -0.22 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3ibo s PRO 36 CO -0.01 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.26 3ibo n GLY 37 N -3.52 0.80 0.02 0.56 0.00 -1.26 -4.20 105.19 97.59 3ibo n GLY 37 Ca 0.13 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.68 -4.85 1.61 3.02 -1.26 -4.36 115.26 111.10 3ibo n ASN 38 Ca 0.00 -1.65 -0.37 0.00 -0.03 0.00 0.00 54.58 52.52 3ibo n ASN 38 Cb 0.00 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.66 4.42 1.00 3.41 1.43 -1.26 -4.89 118.68 122.13 3ibo s LEU 39 Ca 0.01 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 3ibo s LEU 39 Cb 0.00 -2.34 0.19 0.00 0.03 0.00 0.00 46.19 44.07 3ibo s LEU 39 CO 0.00 0.35 1.08 -2.16 0.23 0.00 0.00 176.35 175.86 3ibo s PRO 40 N -0.96 0.44 0.53 1.29 0.04 -1.26 -2.17 135.00 132.91 3ibo s PRO 40 Ca 0.19 0.69 0.20 0.00 0.04 0.00 0.00 61.00 62.11 3ibo s PRO 40 Cb -0.14 -1.72 1.36 0.00 0.04 0.00 0.00 34.50 34.03 3ibo s PRO 40 CO 0.09 -2.77 2.12 1.57 0.04 0.00 0.00 177.00 178.05 3ibo h LYS 41 N -1.93 0.00 0.00 4.56 2.10 -1.84 -1.53 116.57 117.94 3ibo h LYS 41 Ca -0.54 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 3ibo h LYS 41 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3ibo h LYS 41 CO 0.55 0.00 -0.06 -2.95 -2.00 0.00 0.00 179.45 174.99 3ibo h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.95 -2.04 115.58 117.59 3ibo h ASN 42 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.40 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 -0.00 0.06 -1.27 1.33 0.07 0.00 0.00 177.43 177.63 3ibo n VAL 43 N -3.15 0.09 -2.70 6.14 0.24 -1.10 -4.84 118.33 113.02 3ibo n VAL 43 Ca 0.02 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3ibo n VAL 43 Cb 0.42 0.04 0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.82 1.27 -2.68 7.34 0.00 -0.59 -5.04 117.12 115.60 3ibo n MET 44 Ca -0.03 -2.52 -0.39 0.00 -0.00 0.00 0.00 57.70 54.76 3ibo n MET 44 Cb 0.28 -0.66 -0.06 0.00 0.00 0.00 0.00 33.22 32.79 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 -2.29 2.97 0.01 -5.12 0.00 -0.77 -4.70 107.32 97.42 3ibo s GLY 45 Ca 0.23 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.65 3ibo s GLY 45 CO -0.04 1.18 -0.14 0.30 0.00 0.00 0.00 173.10 174.40 3ibo s HIS 46 N -1.37 1.25 0.23 1.90 3.76 -0.48 -4.64 115.29 115.94 3ibo s HIS 46 Ca 0.47 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3ibo s HIS 46 Cb -0.24 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 3ibo s HIS 46 CO 0.31 -0.00 0.07 0.54 -0.85 0.00 0.00 174.74 174.81 3ibo s ASN 47 N -0.60 1.13 -0.22 1.40 2.20 -1.26 -0.54 114.94 117.05 3ibo s ASN 47 Ca 0.04 -1.33 0.01 0.00 -0.94 0.00 0.00 52.86 50.64 3ibo s ASN 47 Cb -0.06 0.16 0.05 0.00 -2.00 0.00 0.00 41.25 39.40 3ibo s ASN 47 CO 0.00 -0.69 -0.07 0.86 -2.94 0.00 0.00 177.10 174.26 3ibo s TRP 48 N -3.75 2.37 -0.04 1.54 -0.00 -1.26 -3.96 118.94 113.84 3ibo s TRP 48 Ca 0.34 -1.66 0.06 0.00 -0.00 0.00 0.00 56.10 54.84 3ibo s TRP 48 Cb 0.07 -1.59 -0.01 0.00 -0.00 0.00 0.00 33.47 31.94 3ibo s TRP 48 CO 0.11 -0.75 -0.23 0.08 -0.00 0.00 0.00 176.95 176.15 3ibo s VAL 49 N 1.41 1.87 -0.08 5.86 1.01 0.15 -1.68 120.40 128.93 3ibo s VAL 49 Ca -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3ibo s VAL 49 Cb -0.18 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3ibo s VAL 49 CO -0.07 0.52 -0.22 -0.22 0.00 0.00 0.00 175.10 175.12 3ibo s LEU 50 N -0.28 2.23 0.33 3.92 2.96 -0.20 -1.17 118.68 126.47 3ibo s LEU 50 Ca 0.01 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 3ibo s LEU 50 Cb -0.12 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.15 3ibo s LEU 50 CO 0.02 0.21 0.58 -0.94 -1.32 0.00 0.00 176.35 174.90 3ibo s SER 51 N 0.04 0.37 0.66 3.68 1.04 -1.00 -0.57 113.70 117.92 3ibo s SER 51 Ca -0.09 -1.22 -0.14 0.00 0.48 0.00 0.00 55.95 54.98 3ibo s SER 51 Cb -0.15 0.70 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3ibo s SER 51 CO 0.05 -1.38 1.09 0.42 0.98 0.00 0.00 173.24 174.41 3ibo s THR 52 N -3.10 3.41 0.31 2.02 -4.23 -1.26 -1.23 115.64 111.57 3ibo s THR 52 Ca 0.23 0.63 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 3ibo s THR 52 Cb -0.02 -3.16 0.29 0.00 1.34 0.00 0.00 72.50 70.95 3ibo s THR 52 CO 0.15 -0.43 1.88 0.00 -0.54 0.00 0.00 174.62 175.67 3ibo h ALA 53 N -0.03 1.61 0.00 3.99 0.00 -1.39 -1.62 119.26 121.82 3ibo h ALA 53 Ca -0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3ibo h ALA 53 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ibo h ALA 53 CO 0.55 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.77 3ibo h ALA 54 N 1.55 1.14 -0.00 0.00 0.00 -1.91 -2.84 119.26 117.20 3ibo h ALA 54 Ca 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ibo h ALA 54 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ibo h ALA 54 CO -0.19 0.28 -0.47 -0.25 0.00 0.00 0.00 179.25 178.62 3ibo n ASP 55 N -3.56 0.67 0.05 0.00 8.00 -0.63 -4.51 116.55 116.56 3ibo n ASP 55 Ca -0.01 -0.45 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3ibo n ASP 55 Cb 0.37 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.31 -0.36 -0.85 -1.24 1.85 -1.24 -2.33 114.93 111.07 3ibo h MET 56 Ca 0.00 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.17 3ibo h MET 56 Cb 0.50 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.56 3ibo h MET 56 CO 0.00 -0.24 0.56 0.37 -0.40 0.00 0.00 176.91 177.20 3ibo h GLN 57 N -0.37 0.96 -0.43 0.39 5.75 -1.80 -1.08 115.11 118.53 3ibo h GLN 57 Ca 0.07 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 3ibo h GLN 57 Cb 0.46 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3ibo h GLN 57 CO -0.23 0.63 -0.00 0.78 -2.65 0.00 0.00 178.83 177.36 3ibo h GLY 58 N 0.99 0.82 0.98 2.39 0.00 -1.79 -0.79 103.07 105.66 3ibo h GLY 58 Ca 0.36 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3ibo h GLY 58 CO -0.12 0.56 0.07 -2.08 0.00 0.00 0.00 176.54 174.97 3ibo h VAL 59 N 0.59 1.25 -0.12 4.60 2.07 -0.90 -1.65 116.25 122.09 3ibo h VAL 59 Ca 0.12 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3ibo h VAL 59 Cb 0.49 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3ibo h VAL 59 CO 0.02 0.33 0.03 0.58 0.02 0.00 0.00 177.57 178.55 3ibo h VAL 60 N 0.67 1.19 -0.22 2.57 2.07 -1.09 -0.13 116.25 121.31 3ibo h VAL 60 Ca 0.14 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3ibo h VAL 60 Cb 0.40 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3ibo h VAL 60 CO 0.01 0.17 0.02 0.74 0.02 0.00 0.00 177.57 178.54 3ibo h THR 61 N -0.01 1.24 0.00 2.57 2.02 -1.12 -1.61 112.91 116.00 3ibo h THR 61 Ca 0.04 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 3ibo h THR 61 Cb 0.24 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3ibo h THR 61 CO -0.00 0.25 -0.33 0.44 0.37 0.00 0.00 175.52 176.24 3ibo h ASP 62 N 0.16 0.00 -0.47 4.18 3.32 -1.35 -2.80 116.42 119.45 3ibo h ASP 62 Ca 0.06 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3ibo h ASP 62 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3ibo h ASP 62 CO 0.01 0.33 -0.16 1.23 -1.72 0.00 0.00 179.24 178.93 3ibo h GLY 63 N 1.73 1.02 1.00 2.75 0.00 -0.69 -2.66 103.07 106.21 3ibo h GLY 63 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 3ibo h GLY 63 CO 0.04 0.80 0.28 1.98 0.00 0.00 0.00 176.54 179.64 3ibo h MET 64 N 0.78 0.93 0.00 4.80 1.85 -1.04 -2.70 114.93 119.55 3ibo h MET 64 Ca 0.11 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3ibo h MET 64 Cb 0.73 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3ibo h MET 64 CO 0.06 0.76 0.00 0.00 -0.40 0.00 0.00 176.91 177.33 3ibo h ALA 65 N 1.12 1.00 0.00 0.39 0.00 -1.41 -2.94 119.26 117.42 3ibo h ALA 65 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3ibo h ALA 65 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ibo h ALA 65 CO -0.02 0.00 -0.77 1.03 0.00 0.00 0.00 179.25 179.49 3ibo h SER 66 N 0.00 0.00 -4.47 0.00 0.87 -1.13 -3.50 113.55 105.32 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 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3ibo h SER 66 CO 0.00 0.77 0.00 0.61 -0.53 0.00 0.00 176.83 177.68 3ibo n GLY 67 N 1.20 -0.40 0.37 5.77 0.00 -1.11 -4.44 105.19 106.59 3ibo n GLY 67 Ca 0.01 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 1.08 -1.66 0.99 5.85 -1.91 -1.04 115.31 118.62 3ibo h LEU 68 Ca 0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ibo h LEU 68 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3ibo h LEU 68 CO 0.00 0.72 -0.10 0.44 -0.34 0.00 0.00 178.44 179.17 3ibo h ASP 69 N 1.24 0.00 -0.58 1.25 3.45 -2.02 -1.92 116.42 117.84 3ibo h ASP 69 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 3ibo h ASP 69 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3ibo h ASP 69 CO -0.14 0.10 0.00 0.29 -1.57 0.00 0.00 179.24 177.92 3ibo n LYS 70 N -3.32 4.07 -2.41 3.56 4.76 -1.06 -4.93 118.16 118.82 3ibo n LYS 70 Ca -0.01 -2.97 -0.19 0.00 -2.87 0.00 0.00 58.31 52.28 3ibo n LYS 70 Cb 0.30 -2.01 -0.01 0.00 -1.84 0.00 0.00 35.03 31.47 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 0.79 -5.42 -3.78 4.39 9.92 -0.72 -2.18 116.55 119.55 3ibo n ASP 71 Ca 0.26 0.04 -0.27 0.00 -0.53 0.00 0.00 54.79 54.28 3ibo n ASP 71 Cb 0.99 -4.53 0.05 0.00 -0.64 0.00 0.00 41.12 36.99 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 -3.86 -2.51 -3.94 1.24 4.01 -0.42 -4.66 117.16 107.02 3ibo n TYR 72 Ca -0.22 0.95 -0.14 0.00 -0.16 0.00 0.00 57.90 58.33 3ibo n TYR 72 Cb 0.67 -4.43 -0.15 0.00 -0.31 0.00 0.00 39.34 35.12 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 -7.25 1.75 0.06 7.72 1.43 -0.93 -4.35 118.68 117.12 3ibo s LEU 73 Ca 0.60 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.37 3ibo s LEU 73 Cb -0.28 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 45.76 3ibo s LEU 73 CO 0.79 -0.02 1.40 -0.75 0.23 0.00 0.00 176.35 178.00 3ibo s LYS 74 N 0.27 4.30 0.23 1.70 2.20 -1.26 -4.87 119.74 122.31 3ibo s LYS 74 Ca -0.02 2.03 -0.31 0.00 -0.36 0.00 0.00 55.97 57.31 3ibo s LYS 74 Cb -0.04 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 3ibo s LYS 74 CO -0.01 -0.50 1.64 -2.14 -0.36 0.00 0.00 175.35 173.98 3ibo s PRO 75 N 1.71 4.15 -1.36 4.03 0.02 -1.26 -3.14 135.00 139.14 3ibo s PRO 75 Ca 0.65 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 64.16 3ibo s PRO 75 Cb -0.35 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.12 3ibo s PRO 75 CO 0.29 -0.67 0.83 -0.25 -0.33 0.00 0.00 177.00 176.87 3ibo n ASP 76 N 3.35 -2.58 -4.63 2.53 9.92 -1.26 -4.92 116.55 118.97 3ibo n ASP 76 Ca 0.13 -0.77 -0.43 0.00 -0.53 0.00 0.00 54.79 53.18 3ibo n ASP 76 Cb 0.37 -4.16 -0.02 0.00 -0.64 0.00 0.00 41.12 36.66 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 -4.01 6.66 0.49 -2.24 -1.08 -1.19 -4.91 116.67 110.40 3ibo s ASP 77 Ca 0.22 1.23 0.33 0.00 -0.52 0.00 0.00 52.55 53.81 3ibo s ASP 77 Cb -0.11 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.33 3ibo s ASP 77 CO 0.80 -1.09 1.98 -1.28 0.52 0.00 0.00 175.17 176.11 3ibo h SER 78 N 9.36 0.00 1.86 -0.34 0.87 -1.93 -2.61 113.55 120.76 3ibo h SER 78 Ca -0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3ibo h SER 78 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3ibo h SER 78 CO 1.03 0.00 -0.14 0.03 -0.53 0.00 0.00 176.83 177.22 3ibo h ARG 79 N 0.00 0.00 -5.82 2.24 3.08 -1.97 -3.44 114.38 108.46 3ibo h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3ibo h ARG 79 Cb 0.31 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 3ibo h ARG 79 CO 0.00 0.04 0.36 0.08 -1.07 0.00 0.00 179.97 179.38 3ibo s VAL 80 N -3.20 4.90 -0.08 2.04 1.01 -0.99 -4.38 120.40 119.69 3ibo s VAL 80 Ca 0.06 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 3ibo s VAL 80 Cb 0.06 -4.09 -0.28 0.00 0.00 0.00 0.00 36.38 32.06 3ibo s VAL 80 CO 0.69 0.01 0.55 0.40 0.00 0.00 0.00 175.10 176.75 3ibo h ILE 81 N 5.28 0.88 -2.65 2.22 2.04 -1.14 -3.49 117.51 120.65 3ibo h ILE 81 Ca -0.27 -2.43 -0.10 0.00 1.00 0.00 0.00 64.86 63.06 3ibo h ILE 81 Cb 1.12 2.68 -0.20 0.00 -0.74 0.00 0.00 36.82 39.68 3ibo h ILE 81 CO 0.83 0.82 -0.10 0.00 0.00 0.00 0.00 178.15 179.70 3ibo s ALA 82 N -2.54 -1.15 -0.11 1.87 0.00 -1.23 -4.98 121.76 113.62 3ibo s ALA 82 Ca -0.19 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 3ibo s ALA 82 Cb 0.05 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.26 3ibo s ALA 82 CO 0.80 -0.30 0.50 1.14 0.00 0.00 0.00 175.76 177.91 3ibo s GLN 83 N -1.26 0.74 0.48 0.00 -2.07 -1.26 -1.03 119.66 115.26 3ibo s GLN 83 Ca -0.12 0.35 0.08 0.00 -1.82 0.00 0.00 55.36 53.84 3ibo s GLN 83 Cb -0.03 0.35 0.03 0.00 -1.09 0.00 0.00 33.01 32.26 3ibo s GLN 83 CO 0.06 -0.17 0.55 0.95 -1.32 0.00 0.00 175.29 175.36 3ibo s THR 84 N -0.55 2.43 0.73 3.63 -4.23 -0.68 -4.82 115.64 112.16 3ibo s THR 84 Ca -0.07 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3ibo s THR 84 Cb -0.03 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.23 3ibo s THR 84 CO 0.04 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.68 3ibo s LYS 85 N -4.36 2.52 -0.16 3.99 1.02 -1.26 -4.61 119.74 116.88 3ibo s LYS 85 Ca 0.51 0.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.50 3ibo s LYS 85 Cb -0.05 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 3ibo s LYS 85 CO 0.31 -1.21 0.87 -1.17 -0.92 0.00 0.00 175.35 173.23 3ibo s LEU 86 N -5.40 4.18 0.16 3.17 2.96 -1.26 -4.44 118.68 118.06 3ibo s LEU 86 Ca 0.59 1.24 0.10 0.00 -0.22 0.00 0.00 54.13 55.84 3ibo s LEU 86 Cb -0.11 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3ibo s LEU 86 CO 0.50 -0.42 -0.17 0.27 -1.32 0.00 0.00 176.35 175.21 3ibo s ILE 87 N 2.16 2.78 0.23 6.68 -4.36 0.29 -4.88 121.20 124.10 3ibo s ILE 87 Ca 0.40 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3ibo s ILE 87 Cb -0.17 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.23 3ibo s ILE 87 CO 0.13 -0.04 0.16 0.61 0.24 0.00 0.00 174.94 176.05 3ibo n GLY 88 N 0.39 2.96 3.65 6.27 0.00 -1.26 -1.39 105.19 115.81 3ibo n GLY 88 Ca -0.13 -2.23 -0.47 0.00 0.00 0.00 0.00 46.02 43.19 3ibo n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ibo n SER 89 N -1.91 2.61 0.00 1.61 3.41 -0.92 -2.14 113.62 116.27 3ibo n SER 89 Ca -0.01 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 3ibo n SER 89 Cb 0.26 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 3ibo n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ibo n GLY 90 N 2.81 1.35 3.99 5.00 0.00 -0.36 -4.98 105.19 112.99 3ibo n GLY 90 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.03 3.06 0.08 1.61 2.02 -0.91 -4.95 118.70 119.59 3ibo s GLU 91 Ca 0.00 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 53.88 3ibo s GLU 91 Cb 0.00 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.45 3ibo s GLU 91 CO 0.00 -0.03 0.25 -1.59 0.02 0.00 0.00 175.26 173.91 3ibo s LYS 92 N -4.24 0.86 -0.12 1.61 -2.85 -1.26 -2.18 119.74 111.56 3ibo s LYS 92 Ca 0.47 -0.79 -0.27 0.00 -1.00 0.00 0.00 55.97 54.38 3ibo s LYS 92 Cb -0.10 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 36.10 3ibo s LYS 92 CO 0.32 -0.29 0.65 0.34 0.10 0.00 0.00 175.35 176.47 3ibo s ASP 93 N -2.61 -0.64 0.07 0.03 2.15 -0.24 -5.01 116.67 110.42 3ibo s ASP 93 Ca 0.02 0.90 0.08 0.00 0.43 0.00 0.00 52.55 53.97 3ibo s ASP 93 Cb 0.03 0.82 -0.03 0.00 -0.30 0.00 0.00 42.92 43.43 3ibo s ASP 93 CO -0.09 -0.46 -0.21 -0.44 -0.17 0.00 0.00 175.17 173.79 3ibo s SER 94 N -0.66 2.57 -0.02 -0.34 0.01 -1.26 -0.60 113.70 113.41 3ibo s SER 94 Ca -0.07 -0.61 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 3ibo s SER 94 Cb -0.02 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.04 3ibo s SER 94 CO 0.06 0.12 0.05 0.54 0.41 0.00 0.00 173.24 174.42 3ibo s VAL 95 N -0.98 -0.00 -0.01 3.43 0.11 -0.71 -4.95 120.40 117.29 3ibo s VAL 95 Ca 0.07 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.19 3ibo s VAL 95 Cb -0.09 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 3ibo s VAL 95 CO 0.03 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.74 3ibo s THR 96 N 0.09 1.40 0.08 5.04 2.01 -1.26 -0.72 115.64 122.28 3ibo s THR 96 Ca -0.01 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3ibo s THR 96 Cb -0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 3ibo s THR 96 CO -0.00 0.37 -0.07 0.72 -0.69 0.00 0.00 174.62 174.95 3ibo s PHE 97 N -0.45 0.85 0.07 4.92 -0.71 -0.72 -4.97 117.98 116.97 3ibo s PHE 97 Ca 0.07 -0.79 -0.30 0.00 -1.04 0.00 0.00 56.93 54.87 3ibo s PHE 97 Cb -0.07 -0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 41.20 3ibo s PHE 97 CO -0.00 -0.12 1.03 -0.51 -1.34 0.00 0.00 175.22 174.28 3ibo s ASP 98 N -2.63 7.34 0.37 1.98 1.01 -1.26 -1.33 116.67 122.15 3ibo s ASP 98 Ca 0.06 1.83 0.27 0.00 0.71 0.00 0.00 52.55 55.42 3ibo s ASP 98 Cb 0.01 -2.58 1.23 0.00 1.01 0.00 0.00 42.92 42.58 3ibo s ASP 98 CO -0.03 -0.23 1.83 0.58 0.21 0.00 0.00 175.17 177.52 3ibo h VAL 99 N 4.35 0.00 0.00 -1.27 2.07 -1.56 -2.58 116.25 117.26 3ibo h VAL 99 Ca -0.42 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3ibo h VAL 99 Cb 1.21 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3ibo h VAL 99 CO 0.75 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.11 3ibo h SER 100 N 0.00 0.00 1.34 0.57 4.64 -1.90 -1.22 113.55 116.98 3ibo h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ibo h SER 100 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ibo h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ibo n LYS 101 N -2.67 0.23 -3.57 4.77 4.76 -0.97 -4.73 118.16 115.99 3ibo n LYS 101 Ca 0.00 0.23 -0.37 0.00 -2.87 0.00 0.00 58.31 55.30 3ibo n LYS 101 Cb 0.20 -1.79 -0.08 0.00 -1.84 0.00 0.00 35.03 31.52 3ibo n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ibo s LEU 102 N -4.41 4.18 0.11 -0.35 1.43 -0.46 -5.10 118.68 114.09 3ibo s LEU 102 Ca 0.10 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3ibo s LEU 102 Cb 0.12 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ibo s LEU 102 CO 0.56 0.06 0.26 -0.54 0.23 0.00 0.00 176.35 176.92 3ibo s LYS 103 N 0.85 3.45 0.06 1.70 3.01 -1.26 -5.04 119.74 122.51 3ibo s LYS 103 Ca 0.13 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.28 3ibo s LYS 103 Cb -0.13 -2.99 -0.05 0.00 -1.01 0.00 0.00 37.83 33.66 3ibo s LYS 103 CO 0.04 0.55 0.96 -2.00 0.51 0.00 0.00 175.35 175.41 3ibo s GLU 104 N -2.92 4.63 0.00 1.68 2.12 -1.26 -3.23 118.70 119.71 3ibo s GLU 104 Ca 0.35 1.42 0.00 0.00 0.36 0.00 0.00 54.97 57.10 3ibo s GLU 104 Cb -0.12 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3ibo s GLU 104 CO 0.28 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 3ibo n GLY 105 N 2.55 1.44 3.81 -1.50 0.00 -1.26 -5.03 105.19 105.20 3ibo n GLY 105 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3ibo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ibo s GLU 106 N -0.46 4.05 -0.23 1.61 2.56 -1.20 -5.07 118.70 119.97 3ibo s GLU 106 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 54.97 55.35 3ibo s GLU 106 Cb 0.00 -3.26 -0.05 0.00 2.00 0.00 0.00 34.13 32.83 3ibo s GLU 106 CO 0.00 0.60 0.22 -0.65 -0.56 0.00 0.00 175.26 174.87 3ibo s GLN 107 N -0.84 4.10 0.20 4.30 -1.52 -1.26 -4.74 119.66 119.89 3ibo s GLN 107 Ca 0.25 -0.16 0.08 0.00 -1.95 0.00 0.00 55.36 53.59 3ibo s GLN 107 Cb -0.17 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.04 3ibo s GLN 107 CO 0.14 0.04 -0.03 0.71 -0.25 0.00 0.00 175.29 175.90 3ibo s TYR 108 N 1.12 2.74 0.01 0.91 2.02 -0.72 -1.10 117.35 122.32 3ibo s TYR 108 Ca 0.10 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3ibo s TYR 108 Cb -0.14 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 3ibo s TYR 108 CO 0.05 0.54 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.84 3ibo s MET 109 N -3.09 0.75 0.01 -0.62 -1.94 -0.36 -1.10 119.30 112.95 3ibo s MET 109 Ca 0.28 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.84 3ibo s MET 109 Cb -0.08 -0.72 -0.03 0.00 2.01 0.00 0.00 34.83 36.01 3ibo s MET 109 CO 0.18 0.19 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.71 3ibo s PHE 110 N -0.45 2.86 0.21 -0.03 -0.71 -0.29 -2.38 117.98 117.19 3ibo s PHE 110 Ca 0.02 -0.06 -0.23 0.00 -1.04 0.00 0.00 56.93 55.62 3ibo s PHE 110 Cb -0.05 -1.59 0.04 0.00 -1.21 0.00 0.00 43.02 40.22 3ibo s PHE 110 CO 0.00 0.37 0.79 -0.59 -1.34 0.00 0.00 175.22 174.45 3ibo s PHE 111 N -1.01 -0.22 -0.14 3.49 -0.71 -0.32 -0.78 117.98 118.29 3ibo s PHE 111 Ca 0.17 -0.15 -0.06 0.00 -1.04 0.00 0.00 56.93 55.86 3ibo s PHE 111 Cb -0.11 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 3ibo s PHE 111 CO 0.08 -1.04 0.08 0.00 -1.34 0.00 0.00 175.22 173.00 3ibo n THR 113 N 2.63 0.34 -1.92 0.00 -2.24 -1.26 -3.49 114.28 108.34 3ibo n THR 113 Ca -0.18 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 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 -1.66 2.94 -0.22 4.78 2.19 -1.26 -4.49 117.98 120.27 3ibo s PHE 114 Ca 0.36 0.87 -0.42 0.00 0.33 0.00 0.00 56.93 58.07 3ibo s PHE 114 Cb 0.21 -3.92 -0.19 0.00 -1.31 0.00 0.00 43.02 37.81 3ibo s PHE 114 CO 0.30 -3.11 1.43 -2.30 1.83 0.00 0.00 175.22 173.37 3ibo n PRO 115 N 2.58 0.40 0.00 10.12 -0.02 -1.26 -1.41 135.00 145.40 3ibo n PRO 115 Ca 0.08 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3ibo n PRO 115 Cb 0.39 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.05 3.00 0.30 -1.23 0.00 -1.26 -4.87 105.19 104.17 3ibo n GLY 116 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.68 0.00 1.61 3.86 -1.52 -3.00 115.15 116.78 3ibo h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3ibo h HIS 117 Cb 0.00 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.26 3ibo h HIS 117 CO 0.00 0.55 0.00 -1.13 0.86 0.00 0.00 177.93 178.21 3ibo n SER 118 N -4.34 0.22 0.12 2.45 3.41 -1.23 -0.29 113.62 113.96 3ibo n SER 118 Ca 0.03 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 3ibo n SER 118 Cb 0.17 -0.62 0.50 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.79 0.00 7.33 0.00 -1.89 -3.32 119.26 125.29 3ibo h ALA 119 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ibo h ALA 119 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ibo h ALA 119 CO 0.00 0.18 -0.98 1.28 0.00 0.00 0.00 179.25 179.73 3ibo n LEU 120 N -4.47 2.23 -3.99 0.00 4.77 -0.84 -4.89 117.00 109.82 3ibo n LEU 120 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3ibo n LEU 120 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3ibo n LEU 120 CO 0.35 0.37 2.15 0.23 -1.33 0.00 0.00 177.39 179.16 3ibo n MET 121 N -2.36 3.26 -3.72 3.23 2.81 0.60 -4.73 117.12 116.22 3ibo n MET 121 Ca 0.00 -3.21 -0.11 0.00 -1.81 0.00 0.00 57.70 52.57 3ibo n MET 121 Cb 0.49 -3.15 -0.06 0.00 -0.71 0.00 0.00 33.22 29.79 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 2.07 0.90 0.21 0.03 -2.85 -1.26 -1.99 119.74 116.84 3ibo s LYS 122 Ca 0.45 -0.57 -0.22 0.00 -1.00 0.00 0.00 55.97 54.62 3ibo s LYS 122 Cb 0.09 0.39 0.07 0.00 -2.06 0.00 0.00 37.83 36.32 3ibo s LYS 122 CO -0.02 -0.31 0.97 0.20 0.10 0.00 0.00 175.35 176.29 3ibo s GLY 123 N -2.32 0.05 0.01 0.59 0.00 0.03 -4.75 107.32 100.94 3ibo s GLY 123 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3ibo s GLY 123 CO -0.06 1.21 0.05 -1.59 0.00 0.00 0.00 173.10 172.70 3ibo s THR 124 N -2.57 4.46 -0.01 0.90 2.01 -0.72 -1.14 115.64 118.57 3ibo s THR 124 Ca 0.18 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3ibo s THR 124 Cb -0.03 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3ibo s THR 124 CO 0.05 0.31 0.01 -0.22 -0.69 0.00 0.00 174.62 174.09 3ibo s LEU 125 N -1.81 1.61 0.26 4.42 0.20 -0.26 -1.32 118.68 121.78 3ibo s LEU 125 Ca 0.23 0.01 -0.21 0.00 0.69 0.00 0.00 54.13 54.85 3ibo s LEU 125 Cb -0.12 -0.04 0.02 0.00 -0.43 0.00 0.00 46.19 45.63 3ibo s LEU 125 CO 0.14 -0.05 0.69 -1.38 -0.29 0.00 0.00 176.35 175.46 3ibo s HIS 126 N 0.46 -0.20 0.59 5.38 -3.43 -1.22 -1.76 115.29 115.11 3ibo s HIS 126 Ca -0.04 -0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 53.81 3ibo s HIS 126 Cb -0.06 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 3ibo s HIS 126 CO -0.01 -1.18 1.18 -0.51 -2.00 0.00 0.00 174.74 172.22 3ibo s LEU 127 N -2.91 3.65 0.00 5.38 1.43 -1.26 -2.17 118.68 122.80 3ibo s LEU 127 Ca 0.10 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 3ibo s LEU 127 Cb -0.05 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.58 3ibo s LEU 127 CO 0.05 -1.53 0.00 0.29 0.23 0.00 0.00 176.35 175.39