#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 3.46 -0.41 0.00 0.74 -1.26 -4.91 119.66 117.27 3ibo s GLN 2 Ca 0.00 0.01 0.05 0.00 0.05 0.00 0.00 55.36 55.47 3ibo s GLN 2 Cb 0.00 -3.97 0.60 0.00 1.10 0.00 0.00 33.01 30.74 3ibo s GLN 2 CO 0.00 -1.31 1.76 0.00 -0.55 0.00 0.00 175.29 175.19 3ibo s SER 4 N -1.80 -0.12 -0.08 0.00 1.04 -1.26 -1.30 113.70 110.18 3ibo s SER 4 Ca 0.53 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 3ibo s SER 4 Cb 0.46 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.99 3ibo s SER 4 CO 0.06 -0.72 0.22 0.54 0.98 0.00 0.00 173.24 174.31 3ibo s VAL 5 N -3.25 0.00 -0.31 5.02 0.11 -0.60 -4.96 120.40 116.42 3ibo s VAL 5 Ca -0.00 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 3ibo s VAL 5 Cb 0.01 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 3ibo s VAL 5 CO -0.08 -0.00 0.24 -1.81 -3.33 0.00 0.00 175.10 170.12 3ibo s ASP 6 N 0.09 6.07 -0.07 3.54 1.01 -1.26 -1.29 116.67 124.76 3ibo s ASP 6 Ca -0.00 -0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.12 3ibo s ASP 6 Cb -0.02 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3ibo s ASP 6 CO 0.00 -0.16 -0.12 -0.63 0.21 0.00 0.00 175.17 174.48 3ibo s ILE 7 N 1.80 3.27 -0.05 0.77 -1.09 -0.17 -4.96 121.20 120.78 3ibo s ILE 7 Ca 0.08 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.93 3ibo s ILE 7 Cb -0.17 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3ibo s ILE 7 CO 0.11 0.58 -0.23 -1.10 -1.23 0.00 0.00 174.94 173.07 3ibo s GLN 8 N -0.49 2.30 -0.22 2.79 1.11 -1.26 -1.21 119.66 122.67 3ibo s GLN 8 Ca 0.07 -0.82 0.00 0.00 0.01 0.00 0.00 55.36 54.62 3ibo s GLN 8 Cb -0.12 -1.97 0.03 0.00 -1.01 0.00 0.00 33.01 29.94 3ibo s GLN 8 CO 0.02 0.35 -0.13 0.20 0.01 0.00 0.00 175.29 175.74 3ibo s GLY 9 N -0.13 1.54 0.53 3.09 0.00 -0.70 -1.97 107.32 109.68 3ibo s GLY 9 Ca -0.03 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.30 3ibo s GLY 9 CO 0.03 0.44 0.72 1.16 0.00 0.00 0.00 173.10 175.45 3ibo n ASN 10 N 4.60 1.21 0.14 1.64 0.23 -0.74 -3.66 115.26 118.68 3ibo n ASN 10 Ca -0.18 -1.96 0.13 0.00 -0.53 0.00 0.00 54.58 52.03 3ibo n ASN 10 Cb 0.47 -0.45 0.48 0.00 -2.08 0.00 0.00 39.78 38.20 3ibo n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ibo h ASP 11 N -0.30 0.00 -0.40 0.53 3.32 -1.91 -2.92 116.42 114.73 3ibo h ASP 11 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3ibo h ASP 11 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3ibo h ASP 11 CO 0.28 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 3ibo n GLN 12 N -2.34 2.26 -3.33 3.56 3.00 -1.26 -4.94 117.38 114.33 3ibo n GLN 12 Ca 0.03 -1.58 -0.16 0.00 -0.01 0.00 0.00 57.00 55.28 3ibo n GLN 12 Cb 0.30 -1.47 0.08 0.00 0.00 0.00 0.00 30.24 29.15 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 0.65 -5.62 -4.08 -1.09 1.56 -1.10 -5.04 117.12 102.39 3ibo n MET 13 Ca 0.14 0.81 -0.14 0.00 -0.27 0.00 0.00 57.70 58.25 3ibo n MET 13 Cb 0.45 -5.70 -0.13 0.00 2.15 0.00 0.00 33.22 30.00 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 -5.13 0.44 0.15 2.12 -0.21 -1.26 -4.46 119.66 111.31 3ibo s GLN 14 Ca 0.07 -0.48 -0.04 0.00 0.02 0.00 0.00 55.36 54.93 3ibo s GLN 14 Cb -0.01 -0.29 -0.05 0.00 1.00 0.00 0.00 33.01 33.66 3ibo s GLN 14 CO 0.70 0.06 0.37 -0.06 -2.12 0.00 0.00 175.29 174.24 3ibo s PHE 15 N -0.81 3.48 0.12 0.91 0.08 -1.26 -1.79 117.98 118.70 3ibo s PHE 15 Ca -0.05 0.50 0.29 0.00 0.12 0.00 0.00 56.93 57.79 3ibo s PHE 15 Cb -0.06 -1.96 1.18 0.00 -0.57 0.00 0.00 43.02 41.60 3ibo s PHE 15 CO 0.00 0.43 1.92 -2.95 -0.10 0.00 0.00 175.22 174.52 3ibo h ASN 16 N 2.68 0.00 -4.83 1.36 -1.07 -1.79 -3.45 115.58 108.48 3ibo h ASN 16 Ca -0.46 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 55.70 3ibo h ASN 16 Cb 1.17 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.25 3ibo h ASN 16 CO 0.72 0.09 -0.70 0.28 0.07 0.00 0.00 177.43 177.89 3ibo s THR 17 N -3.68 0.48 0.00 6.14 -1.32 -1.26 -5.04 115.64 110.96 3ibo s THR 17 Ca 0.01 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 3ibo s THR 17 Cb 0.10 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3ibo s THR 17 CO 0.58 -0.73 0.92 -0.46 -2.21 0.00 0.00 174.62 172.73 3ibo n ASN 18 N 0.58 1.75 -3.53 8.08 0.23 -1.26 -4.83 115.26 116.28 3ibo n ASN 18 Ca -0.17 -1.85 -0.10 0.00 -0.53 0.00 0.00 54.58 51.93 3ibo n ASN 18 Cb 0.59 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.19 3ibo n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ibo s ALA 19 N -0.85 -0.97 -0.06 -2.53 0.00 -1.26 -1.09 121.76 115.00 3ibo s ALA 19 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.11 3ibo s ALA 19 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 3ibo s ALA 19 CO 0.00 -0.96 -0.21 0.42 0.00 0.00 0.00 175.76 175.01 3ibo s ILE 20 N 2.54 2.45 -0.04 0.00 1.01 0.18 -4.98 121.20 122.36 3ibo s ILE 20 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3ibo s ILE 20 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3ibo s ILE 20 CO -0.13 0.57 -0.21 0.42 0.00 0.00 0.00 174.94 175.59 3ibo s THR 21 N -0.36 1.71 -0.16 2.92 -4.23 -1.26 -2.48 115.64 111.78 3ibo s THR 21 Ca 0.03 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.63 3ibo s THR 21 Cb -0.12 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 3ibo s THR 21 CO 0.02 0.48 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.80 3ibo s VAL 22 N -0.21 3.17 0.14 2.29 1.01 -0.21 -4.91 120.40 121.68 3ibo s VAL 22 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 3ibo s VAL 22 Cb -0.11 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 3ibo s VAL 22 CO 0.02 0.49 1.30 -0.62 0.00 0.00 0.00 175.10 176.28 3ibo s ASP 23 N 0.77 6.94 0.62 3.32 -1.08 -1.26 0.12 116.67 126.10 3ibo s ASP 23 Ca -0.04 2.27 0.40 0.00 -0.52 0.00 0.00 52.55 54.66 3ibo s ASP 23 Cb -0.15 -2.59 2.03 0.00 -1.46 0.00 0.00 42.92 40.74 3ibo s ASP 23 CO 0.01 -0.53 2.23 0.11 0.52 0.00 0.00 175.17 177.51 3ibo h LYS 24 N 6.14 0.00 0.00 4.34 1.57 -1.90 -2.27 116.57 124.46 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 0.81 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.35 3ibo h SER 25 N 0.00 0.00 -3.43 0.86 4.64 -1.91 -3.44 113.55 110.27 3ibo h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3ibo h SER 25 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3ibo h SER 25 CO 0.00 0.00 0.44 0.00 -0.87 0.00 0.00 176.83 176.40 3ibo h LYS 27 N 6.10 0.41 -5.21 0.00 3.64 -1.88 -3.43 116.57 116.20 3ibo h LYS 27 Ca -0.42 -0.70 -0.38 0.00 -1.27 0.00 0.00 60.65 57.88 3ibo h LYS 27 Cb 1.21 0.26 -0.21 0.00 -0.41 0.00 0.00 32.23 33.09 3ibo h LYS 27 CO 0.75 1.32 -0.76 -0.65 -2.27 0.00 0.00 179.45 177.83 3ibo s GLN 28 N -2.59 0.81 -0.02 1.90 -0.21 -1.26 -1.40 119.66 116.89 3ibo s GLN 28 Ca -0.13 -1.00 0.06 0.00 0.02 0.00 0.00 55.36 54.31 3ibo s GLN 28 Cb 0.05 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 3ibo s GLN 28 CO 0.88 0.15 -0.19 0.12 -2.12 0.00 0.00 175.29 174.12 3ibo s PHE 29 N -1.56 1.78 -0.06 0.91 5.36 -0.44 -4.85 117.98 119.12 3ibo s PHE 29 Ca -0.01 -0.37 0.06 0.00 -0.96 0.00 0.00 56.93 55.65 3ibo s PHE 29 Cb -0.08 -1.15 -0.01 0.00 -0.34 0.00 0.00 43.02 41.43 3ibo s PHE 29 CO 0.02 -0.06 -0.24 0.99 -1.46 0.00 0.00 175.22 174.47 3ibo s THR 30 N -0.36 2.14 -0.19 0.12 2.01 -0.42 -1.72 115.64 117.22 3ibo s THR 30 Ca 0.05 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 3ibo s THR 30 Cb -0.08 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3ibo s THR 30 CO -0.00 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 3ibo s VAL 31 N -0.18 2.77 -0.50 3.82 1.01 -0.09 -1.55 120.40 125.68 3ibo s VAL 31 Ca -0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3ibo s VAL 31 Cb -0.14 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.15 3ibo s VAL 31 CO 0.04 0.48 0.40 0.20 0.00 0.00 0.00 175.10 176.22 3ibo s ASN 32 N 1.27 5.84 -0.05 3.32 0.01 -0.41 -1.61 114.94 123.31 3ibo s ASN 32 Ca 0.03 -1.92 -0.18 0.00 -0.71 0.00 0.00 52.86 50.09 3ibo s ASN 32 Cb -0.14 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 3ibo s ASN 32 CO -0.06 -0.73 0.48 -0.22 -1.51 0.00 0.00 177.10 175.06 3ibo s LEU 33 N 1.36 4.37 0.20 0.60 2.96 0.11 -0.99 118.68 127.29 3ibo s LEU 33 Ca 0.06 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 3ibo s LEU 33 Cb -0.27 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 3ibo s LEU 33 CO -0.00 0.13 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.20 3ibo s SER 34 N -0.13 1.68 -0.41 3.68 1.04 -0.35 -1.37 113.70 117.84 3ibo s SER 34 Ca 0.26 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.55 3ibo s SER 34 Cb -0.16 0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.12 3ibo s SER 34 CO 0.13 -0.48 0.22 -2.28 0.98 0.00 0.00 173.24 171.81 3ibo s HIS 35 N -3.45 1.69 0.67 5.02 2.46 -1.12 -1.71 115.29 118.83 3ibo s HIS 35 Ca 0.24 -2.19 -0.11 0.00 0.47 0.00 0.00 55.06 53.48 3ibo s HIS 35 Cb 0.05 -1.67 -0.01 0.00 -0.13 0.00 0.00 32.58 30.82 3ibo s HIS 35 CO 0.06 -0.80 1.05 -1.25 -2.47 0.00 0.00 174.74 171.32 3ibo s PRO 36 N 0.63 3.17 0.00 2.88 0.04 -1.24 -1.65 135.00 138.84 3ibo s PRO 36 Ca 0.17 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3ibo s PRO 36 Cb -0.24 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3ibo s PRO 36 CO -0.02 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.52 3ibo n GLY 37 N -2.24 -0.01 0.00 0.56 0.00 -1.26 -3.92 105.19 98.32 3ibo n GLY 37 Ca 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.72 -4.76 1.61 3.02 -1.26 -4.53 115.26 110.07 3ibo n ASN 38 Ca 0.00 -1.14 -0.38 0.00 -0.03 0.00 0.00 54.58 53.03 3ibo n ASN 38 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.14 4.37 1.08 3.41 1.43 -1.26 -4.88 118.68 122.69 3ibo s LEU 39 Ca 0.00 0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 3ibo s LEU 39 Cb 0.00 -2.73 0.23 0.00 0.03 0.00 0.00 46.19 43.71 3ibo s LEU 39 CO 0.00 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 3ibo s PRO 40 N -0.06 -0.24 0.53 1.29 0.04 -1.26 -2.26 135.00 133.04 3ibo s PRO 40 Ca 0.27 0.33 0.30 0.00 0.04 0.00 0.00 61.00 61.94 3ibo s PRO 40 Cb -0.16 -1.68 1.48 0.00 0.04 0.00 0.00 34.50 34.18 3ibo s PRO 40 CO 0.13 -3.14 2.06 1.57 0.04 0.00 0.00 177.00 177.67 3ibo h LYS 41 N -2.18 0.00 0.00 4.56 2.10 -1.84 -1.33 116.57 117.88 3ibo h LYS 41 Ca -0.52 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.12 3ibo h LYS 41 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3ibo h LYS 41 CO 0.50 0.10 -0.03 -2.95 -2.00 0.00 0.00 179.45 175.07 3ibo h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.95 -2.52 115.58 117.11 3ibo h ASN 42 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 3ibo h ASN 42 Cb 0.37 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.62 3ibo h ASN 42 CO 0.01 0.03 -1.08 1.33 0.07 0.00 0.00 177.43 177.80 3ibo n VAL 43 N -3.12 0.03 -2.76 6.14 0.24 -1.15 -4.83 118.33 112.88 3ibo n VAL 43 Ca 0.02 -0.04 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 3ibo n VAL 43 Cb 0.42 0.03 0.07 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.71 1.52 -2.52 7.34 0.00 -0.51 -5.04 117.12 116.20 3ibo n MET 44 Ca -0.01 -2.90 -0.39 0.00 -0.00 0.00 0.00 57.70 54.40 3ibo n MET 44 Cb 0.19 -1.04 -0.04 0.00 0.00 0.00 0.00 33.22 32.33 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 -2.98 2.97 0.01 -5.12 0.00 -0.95 -4.71 107.32 96.54 3ibo s GLY 45 Ca 0.23 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.81 3ibo s GLY 45 CO -0.05 1.36 -0.13 0.30 0.00 0.00 0.00 173.10 174.59 3ibo s HIS 46 N -1.32 1.15 0.17 1.90 3.76 -0.72 -4.65 115.29 115.58 3ibo s HIS 46 Ca 0.48 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.15 3ibo s HIS 46 Cb -0.28 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 3ibo s HIS 46 CO 0.36 -0.00 -0.01 0.54 -0.85 0.00 0.00 174.74 174.78 3ibo s ASN 47 N -0.58 1.26 -0.22 1.40 2.20 -1.26 -0.73 114.94 117.01 3ibo s ASN 47 Ca 0.04 -1.16 0.02 0.00 -0.94 0.00 0.00 52.86 50.81 3ibo s ASN 47 Cb -0.06 0.11 0.04 0.00 -2.00 0.00 0.00 41.25 39.34 3ibo s ASN 47 CO 0.00 -0.55 -0.15 0.86 -2.94 0.00 0.00 177.10 174.32 3ibo s TRP 48 N -3.63 3.02 -0.04 1.54 -0.00 -1.26 -4.03 118.94 114.54 3ibo s TRP 48 Ca 0.23 -1.92 0.05 0.00 -0.00 0.00 0.00 56.10 54.46 3ibo s TRP 48 Cb 0.06 -1.94 -0.01 0.00 -0.00 0.00 0.00 33.47 31.58 3ibo s TRP 48 CO 0.04 -0.83 -0.19 0.08 -0.00 0.00 0.00 176.95 176.04 3ibo s VAL 49 N 1.21 1.58 -0.09 5.86 1.01 0.02 -1.46 120.40 128.54 3ibo s VAL 49 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3ibo s VAL 49 Cb -0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3ibo s VAL 49 CO -0.09 0.45 -0.20 -0.22 0.00 0.00 0.00 175.10 175.04 3ibo s LEU 50 N -0.09 2.32 0.38 3.92 2.96 0.10 -1.05 118.68 127.22 3ibo s LEU 50 Ca -0.02 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 3ibo s LEU 50 Cb -0.11 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.14 3ibo s LEU 50 CO 0.02 0.21 0.65 -0.94 -1.32 0.00 0.00 176.35 174.97 3ibo s SER 51 N 0.06 0.49 0.73 3.68 1.04 -0.74 -0.72 113.70 118.24 3ibo s SER 51 Ca -0.09 -1.35 -0.11 0.00 0.48 0.00 0.00 55.95 54.88 3ibo s SER 51 Cb -0.15 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.77 3ibo s SER 51 CO 0.05 -1.54 1.08 0.42 0.98 0.00 0.00 173.24 174.24 3ibo s THR 52 N -2.53 3.57 0.31 2.02 -4.23 -1.26 -1.18 115.64 112.34 3ibo s THR 52 Ca 0.23 0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 61.24 3ibo s THR 52 Cb -0.03 -3.37 0.24 0.00 1.34 0.00 0.00 72.50 70.67 3ibo s THR 52 CO 0.16 -0.67 1.95 0.00 -0.54 0.00 0.00 174.62 175.52 3ibo h ALA 53 N -0.78 1.41 -0.12 3.99 0.00 -1.91 -2.28 119.26 119.56 3ibo h ALA 53 Ca -0.45 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3ibo h ALA 53 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ibo h ALA 53 CO 0.61 0.50 -0.32 0.00 0.00 0.00 0.00 179.25 180.04 3ibo h ALA 54 N 1.49 1.24 0.00 0.00 0.00 -1.94 -3.14 119.26 116.91 3ibo h ALA 54 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ibo h ALA 54 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ibo h ALA 54 CO -0.04 0.52 -0.84 -0.25 0.00 0.00 0.00 179.25 178.63 3ibo n ASP 55 N -4.10 0.69 -0.21 0.00 8.00 -1.01 -4.67 116.55 115.25 3ibo n ASP 55 Ca -0.01 0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 3ibo n ASP 55 Cb 0.41 0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 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 -0.17 0.00 -1.24 1.85 -1.37 -1.68 114.93 112.33 3ibo h MET 56 Ca 0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3ibo h MET 56 Cb 0.79 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.86 3ibo h MET 56 CO 0.00 -0.11 -0.02 1.96 -0.40 0.00 0.00 176.91 178.33 3ibo h GLN 57 N -0.17 0.00 -0.03 0.39 1.08 -1.83 -1.82 115.11 112.73 3ibo h GLN 57 Ca 0.09 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.03 3ibo h GLN 57 Cb 0.40 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 3ibo h GLN 57 CO -0.59 0.02 -0.99 0.78 -0.95 0.00 0.00 178.83 177.10 3ibo h GLY 58 N 1.56 0.80 1.22 3.46 0.00 -1.69 -0.86 103.07 107.57 3ibo h GLY 58 Ca -0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 47.33 45.87 3ibo h GLY 58 CO 0.00 1.20 -0.12 -2.08 0.00 0.00 0.00 176.54 175.55 3ibo h VAL 59 N 0.42 1.26 -0.15 4.60 2.07 -0.94 -1.32 116.25 122.19 3ibo h VAL 59 Ca -0.12 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 3ibo h VAL 59 Cb 1.64 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3ibo h VAL 59 CO 0.20 0.43 -0.04 0.58 0.02 0.00 0.00 177.57 178.75 3ibo h VAL 60 N 0.81 1.29 -0.10 2.57 2.07 -1.30 -0.39 116.25 121.21 3ibo h VAL 60 Ca 0.13 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3ibo h VAL 60 Cb 0.65 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3ibo h VAL 60 CO 0.05 0.30 0.03 0.74 0.02 0.00 0.00 177.57 178.70 3ibo h THR 61 N -0.02 1.18 0.00 2.57 2.02 -1.07 -0.89 112.91 116.70 3ibo h THR 61 Ca 0.04 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 3ibo h THR 61 Cb 0.48 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3ibo h THR 61 CO 0.02 0.16 -0.23 0.44 0.37 0.00 0.00 175.52 176.27 3ibo h ASP 62 N -0.02 0.00 -0.20 4.18 3.32 -1.30 -2.76 116.42 119.63 3ibo h ASP 62 Ca 0.03 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3ibo h ASP 62 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ibo h ASP 62 CO -0.00 0.23 -0.39 1.23 -1.72 0.00 0.00 179.24 178.59 3ibo h GLY 63 N 1.63 0.68 1.01 2.75 0.00 -0.73 -2.60 103.07 105.81 3ibo h GLY 63 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.53 3ibo h GLY 63 CO 0.03 0.72 0.47 1.98 0.00 0.00 0.00 176.54 179.74 3ibo h MET 64 N 0.30 0.97 0.00 4.80 1.85 -0.90 -2.43 114.93 119.52 3ibo h MET 64 Ca 0.01 -0.07 -0.06 0.00 -0.61 0.00 0.00 59.70 58.98 3ibo h MET 64 Cb 0.99 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 3ibo h MET 64 CO 0.09 0.65 -0.27 0.00 -0.40 0.00 0.00 176.91 176.98 3ibo h ALA 65 N 1.26 1.24 0.00 0.39 0.00 -1.49 -2.98 119.26 117.67 3ibo h ALA 65 Ca 0.26 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3ibo h ALA 65 Cb -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ibo h ALA 65 CO -0.06 0.34 -0.55 0.77 0.00 0.00 0.00 179.25 179.75 3ibo h SER 66 N 0.00 0.00 -4.59 0.00 0.02 -1.03 -3.50 113.55 104.45 3ibo h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ibo h SER 66 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3ibo h SER 66 CO 0.04 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 3ibo n GLY 67 N 0.11 0.06 0.28 -3.77 0.00 -1.13 -4.42 105.19 96.32 3ibo n GLY 67 Ca -0.01 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 0.67 -1.97 0.99 5.85 -1.90 -0.65 115.31 118.29 3ibo h LEU 68 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ibo h LEU 68 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ibo h LEU 68 CO 0.00 0.43 0.00 0.44 -0.34 0.00 0.00 178.44 178.97 3ibo h ASP 69 N 0.80 0.00 -0.43 1.25 3.32 -2.01 -1.10 116.42 118.25 3ibo h ASP 69 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3ibo h ASP 69 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ibo h ASP 69 CO -0.17 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.64 3ibo n LYS 70 N -2.94 3.74 -2.21 3.56 4.76 -0.92 -4.94 118.16 119.21 3ibo n LYS 70 Ca -0.01 -2.92 -0.19 0.00 -2.87 0.00 0.00 58.31 52.33 3ibo n LYS 70 Cb 0.19 -1.97 -0.03 0.00 -1.84 0.00 0.00 35.03 31.39 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 0.17 -5.27 -3.60 4.39 8.00 -0.41 -2.20 116.55 117.62 3ibo n ASP 71 Ca 0.24 0.14 -0.26 0.00 0.71 0.00 0.00 54.79 55.61 3ibo n ASP 71 Cb 0.97 -4.47 0.04 0.00 -0.02 0.00 0.00 41.12 37.64 3ibo n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ibo n TYR 72 N -3.47 -2.41 -3.93 1.24 4.01 -0.30 -4.62 117.16 107.67 3ibo n TYR 72 Ca -0.21 0.84 -0.14 0.00 -0.16 0.00 0.00 57.90 58.22 3ibo n TYR 72 Cb 0.65 -4.36 -0.15 0.00 -0.31 0.00 0.00 39.34 35.17 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 -7.12 1.69 -0.01 7.72 1.43 -0.93 -4.26 118.68 117.19 3ibo s LEU 73 Ca 0.55 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3ibo s LEU 73 Cb -0.26 -0.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 3ibo s LEU 73 CO 0.68 -0.03 1.57 -0.75 0.23 0.00 0.00 176.35 178.06 3ibo s LYS 74 N 0.35 4.21 0.29 1.70 2.20 -1.26 -4.87 119.74 122.36 3ibo s LYS 74 Ca -0.03 2.14 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 3ibo s LYS 74 Cb -0.05 -3.77 -0.11 0.00 -1.51 0.00 0.00 37.83 32.38 3ibo s LYS 74 CO -0.01 -0.74 1.61 -2.14 -0.36 0.00 0.00 175.35 173.71 3ibo s PRO 75 N 3.23 4.12 -1.46 4.03 0.02 -1.26 -2.93 135.00 140.75 3ibo s PRO 75 Ca 0.70 2.59 -0.12 0.00 0.02 0.00 0.00 61.00 64.20 3ibo s PRO 75 Cb -0.34 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.21 3ibo s PRO 75 CO 0.29 -0.65 1.07 -0.25 -0.33 0.00 0.00 177.00 177.13 3ibo n ASP 76 N 2.35 -5.48 -4.61 2.53 9.92 -1.26 -4.93 116.55 115.07 3ibo n ASP 76 Ca 0.09 -0.68 -0.43 0.00 -0.53 0.00 0.00 54.79 53.24 3ibo n ASP 76 Cb 0.37 -4.39 -0.02 0.00 -0.64 0.00 0.00 41.12 36.44 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 -3.32 6.50 0.62 -2.24 -1.08 -1.15 -4.90 116.67 111.10 3ibo s ASP 77 Ca 0.63 0.96 0.40 0.00 -0.52 0.00 0.00 52.55 54.01 3ibo s ASP 77 Cb -0.30 -2.54 2.02 0.00 -1.46 0.00 0.00 42.92 40.64 3ibo s ASP 77 CO 0.79 -1.27 2.23 0.77 0.52 0.00 0.00 175.17 178.21 3ibo h SER 78 N 9.99 0.00 1.59 -0.34 4.64 -1.92 -2.44 113.55 125.07 3ibo h SER 78 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ibo h SER 78 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ibo h SER 78 CO 1.07 0.01 0.00 0.03 -0.87 0.00 0.00 176.83 177.07 3ibo h ARG 79 N 0.00 0.00 -5.97 4.77 3.08 -1.98 -3.43 114.38 110.85 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 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 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 -3.31 4.66 0.06 2.04 1.01 -0.92 -4.48 120.40 119.46 3ibo s VAL 80 Ca 0.06 1.23 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 3ibo s VAL 80 Cb 0.07 -4.27 -0.30 0.00 0.00 0.00 0.00 36.38 31.89 3ibo s VAL 80 CO 0.61 -0.42 1.10 0.40 0.00 0.00 0.00 175.10 176.80 3ibo h ILE 81 N 5.72 1.33 -2.25 2.22 2.04 -1.21 -3.47 117.51 121.89 3ibo h ILE 81 Ca -0.23 -2.61 -0.07 0.00 1.00 0.00 0.00 64.86 62.94 3ibo h ILE 81 Cb 1.08 2.79 -0.20 0.00 -0.74 0.00 0.00 36.82 39.76 3ibo h ILE 81 CO 0.95 0.79 0.06 0.00 0.00 0.00 0.00 178.15 179.94 3ibo s ALA 82 N -2.87 -1.53 -0.21 1.87 0.00 -1.21 -4.93 121.76 112.88 3ibo s ALA 82 Ca -0.08 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 3ibo s ALA 82 Cb 0.06 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.98 3ibo s ALA 82 CO 0.92 -0.33 0.56 1.14 0.00 0.00 0.00 175.76 178.06 3ibo s GLN 83 N -0.82 0.64 0.58 0.00 -2.07 -1.26 -0.72 119.66 116.02 3ibo s GLN 83 Ca -0.09 0.83 0.05 0.00 -1.82 0.00 0.00 55.36 54.33 3ibo s GLN 83 Cb -0.02 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.25 3ibo s GLN 83 CO 0.07 -0.09 0.80 0.95 -1.32 0.00 0.00 175.29 175.69 3ibo s THR 84 N 0.51 2.43 0.76 3.63 -4.23 -0.53 -4.83 115.64 113.37 3ibo s THR 84 Ca -0.02 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 3ibo s THR 84 Cb -0.04 -2.61 0.05 0.00 1.34 0.00 0.00 72.50 71.23 3ibo s THR 84 CO -0.02 0.00 1.13 -0.54 -0.54 0.00 0.00 174.62 174.64 3ibo s LYS 85 N -4.76 2.42 -0.11 3.99 1.02 -1.26 -4.60 119.74 116.45 3ibo s LYS 85 Ca 0.61 0.35 -0.27 0.00 0.02 0.00 0.00 55.97 56.69 3ibo s LYS 85 Cb -0.07 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3ibo s LYS 85 CO 0.39 -1.32 0.87 -1.17 -0.92 0.00 0.00 175.35 173.20 3ibo s LEU 86 N -5.50 4.25 0.12 3.17 2.96 -1.26 -4.43 118.68 117.99 3ibo s LEU 86 Ca 0.60 1.34 0.11 0.00 -0.22 0.00 0.00 54.13 55.95 3ibo s LEU 86 Cb -0.11 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3ibo s LEU 86 CO 0.51 -0.33 -0.26 0.27 -1.32 0.00 0.00 176.35 175.22 3ibo s ILE 87 N 1.67 2.20 0.41 6.68 -4.36 0.09 -4.89 121.20 122.99 3ibo s ILE 87 Ca 0.43 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 59.18 3ibo s ILE 87 Cb -0.18 -1.94 0.06 0.00 1.25 0.00 0.00 42.46 41.65 3ibo s ILE 87 CO 0.17 0.11 0.50 0.61 0.24 0.00 0.00 174.94 176.57 3ibo n GLY 88 N 1.03 2.20 3.76 6.27 0.00 -1.26 -1.76 105.19 115.44 3ibo n GLY 88 Ca -0.18 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 3ibo n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibo s SER 89 N -3.52 6.42 0.00 1.61 1.04 -0.96 -2.31 113.70 115.97 3ibo s SER 89 Ca 0.38 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.75 3ibo s SER 89 Cb -0.03 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3ibo s SER 89 CO 0.24 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3ibo n GLY 90 N 1.48 2.54 3.96 7.32 0.00 -0.66 -4.96 105.19 114.87 3ibo n GLY 90 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.16 3.19 0.03 1.61 2.02 -0.98 -4.95 118.70 119.46 3ibo s GLU 91 Ca 0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 3ibo s GLU 91 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.59 3ibo s GLU 91 CO 0.00 -0.07 0.24 -1.59 0.02 0.00 0.00 175.26 173.86 3ibo s LYS 92 N -4.40 0.70 -0.11 1.61 -2.85 -1.26 -2.81 119.74 110.63 3ibo s LYS 92 Ca 0.45 -0.50 -0.19 0.00 -1.00 0.00 0.00 55.97 54.72 3ibo s LYS 92 Cb -0.10 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.02 3ibo s LYS 92 CO 0.36 -0.21 0.48 0.34 0.10 0.00 0.00 175.35 176.42 3ibo s ASP 93 N -1.89 -0.45 0.03 0.03 2.15 -0.47 -5.03 116.67 111.04 3ibo s ASP 93 Ca -0.07 0.67 0.08 0.00 0.43 0.00 0.00 52.55 53.65 3ibo s ASP 93 Cb -0.02 0.71 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3ibo s ASP 93 CO -0.02 -0.35 -0.22 -0.44 -0.17 0.00 0.00 175.17 173.97 3ibo s SER 94 N -0.51 2.66 -0.01 -0.34 0.01 -1.26 -0.71 113.70 113.54 3ibo s SER 94 Ca -0.06 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.73 3ibo s SER 94 Cb -0.03 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 3ibo s SER 94 CO 0.04 0.22 -0.10 0.54 0.41 0.00 0.00 173.24 174.34 3ibo s VAL 95 N -0.71 0.81 -0.03 3.43 0.11 -0.63 -4.94 120.40 118.43 3ibo s VAL 95 Ca 0.09 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 3ibo s VAL 95 Cb -0.09 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 3ibo s VAL 95 CO 0.01 0.22 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.94 3ibo s THR 96 N -0.26 1.36 0.08 5.04 2.01 -1.26 -0.92 115.64 121.69 3ibo s THR 96 Ca 0.04 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3ibo s THR 96 Cb -0.04 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3ibo s THR 96 CO -0.00 0.39 -0.06 0.72 -0.69 0.00 0.00 174.62 174.98 3ibo s PHE 97 N -0.08 0.78 0.13 4.92 -0.71 -0.70 -4.97 117.98 117.35 3ibo s PHE 97 Ca -0.01 -0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 54.65 3ibo s PHE 97 Cb -0.10 -0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 41.17 3ibo s PHE 97 CO 0.01 -0.21 1.09 -0.51 -1.34 0.00 0.00 175.22 174.26 3ibo s ASP 98 N -2.95 7.27 0.47 1.98 -0.00 -1.26 -1.33 116.67 120.86 3ibo s ASP 98 Ca 0.10 1.99 0.30 0.00 -0.00 0.00 0.00 52.55 54.94 3ibo s ASP 98 Cb 0.05 -2.59 1.17 0.00 -0.00 0.00 0.00 42.92 41.55 3ibo s ASP 98 CO -0.06 -0.25 1.89 0.58 -0.00 0.00 0.00 175.17 177.33 3ibo h VAL 99 N 4.02 0.00 0.00 -1.27 2.07 -1.50 -2.97 116.25 116.60 3ibo h VAL 99 Ca -0.43 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3ibo h VAL 99 Cb 1.21 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3ibo h VAL 99 CO 0.74 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.10 3ibo h SER 100 N 0.00 0.00 1.20 0.57 4.64 -1.90 -1.42 113.55 116.64 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 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 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 -2.65 0.16 -4.29 4.77 5.02 -1.12 -4.77 118.16 115.29 3ibo n LYS 101 Ca -0.00 0.18 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 3ibo n LYS 101 Cb 0.17 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 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 -4.00 3.67 0.17 -0.35 1.43 -0.54 -5.12 118.68 113.94 3ibo s LEU 102 Ca 0.11 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3ibo s LEU 102 Cb 0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3ibo s LEU 102 CO 0.53 0.35 -0.01 -1.59 0.23 0.00 0.00 176.35 175.86 3ibo s LYS 103 N -0.71 2.36 0.17 1.70 -2.85 -1.26 -5.03 119.74 114.13 3ibo s LYS 103 Ca 0.11 -1.11 -0.33 0.00 -1.00 0.00 0.00 55.97 53.64 3ibo s LYS 103 Cb -0.12 -2.34 -0.13 0.00 -2.06 0.00 0.00 37.83 33.19 3ibo s LYS 103 CO 0.02 0.46 1.67 0.39 0.10 0.00 0.00 175.35 177.99 3ibo n GLU 104 N -0.06 2.50 0.00 1.78 -0.58 -1.26 -3.20 120.64 119.82 3ibo n GLU 104 Ca -0.10 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 3ibo n GLU 104 Cb 0.55 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 3ibo n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ibo n GLY 105 N 3.76 2.78 3.73 0.62 0.00 -1.26 -5.02 105.19 109.80 3ibo n GLY 105 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.04 4.37 -0.55 1.61 2.12 -1.19 -4.99 118.70 120.03 3ibo s GLU 106 Ca 0.00 2.04 -0.19 0.00 0.36 0.00 0.00 54.97 57.18 3ibo s GLU 106 Cb 0.00 -3.22 0.08 0.00 0.26 0.00 0.00 34.13 31.25 3ibo s GLU 106 CO 0.00 -0.30 0.65 -0.65 -0.54 0.00 0.00 175.26 174.42 3ibo s GLN 107 N 0.33 3.07 0.51 4.30 -1.52 -1.26 -4.57 119.66 120.52 3ibo s GLN 107 Ca 0.59 -1.16 -0.08 0.00 -1.95 0.00 0.00 55.36 52.77 3ibo s GLN 107 Cb -0.36 -4.19 -0.04 0.00 -0.22 0.00 0.00 33.01 28.20 3ibo s GLN 107 CO 0.35 -1.38 0.85 0.71 -0.25 0.00 0.00 175.29 175.57 3ibo s TYR 108 N 2.59 3.57 -0.10 0.91 2.02 -0.17 -4.31 117.35 121.85 3ibo s TYR 108 Ca 0.12 0.98 0.01 0.00 -0.37 0.00 0.00 57.07 57.82 3ibo s TYR 108 Cb -0.22 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.88 3ibo s TYR 108 CO 0.08 -0.37 -0.14 -1.64 -1.57 0.00 0.00 175.55 171.92 3ibo s MET 109 N -4.74 3.07 0.00 -0.62 -1.94 -0.32 -1.24 119.30 113.51 3ibo s MET 109 Ca 0.50 -0.69 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 3ibo s MET 109 Cb -0.10 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.17 3ibo s MET 109 CO 0.45 0.36 -0.07 -0.59 -0.01 0.00 0.00 175.02 175.16 3ibo s PHE 110 N -0.02 2.87 0.24 -0.03 -0.71 0.14 -1.79 117.98 118.67 3ibo s PHE 110 Ca -0.03 -0.05 -0.22 0.00 -1.04 0.00 0.00 56.93 55.59 3ibo s PHE 110 Cb -0.14 -1.60 0.04 0.00 -1.21 0.00 0.00 43.02 40.11 3ibo s PHE 110 CO 0.04 0.37 0.83 -0.59 -1.34 0.00 0.00 175.22 174.52 3ibo s PHE 111 N -0.99 -0.14 -0.12 3.49 -0.71 -0.22 -0.99 117.98 118.32 3ibo s PHE 111 Ca 0.17 -0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 55.75 3ibo s PHE 111 Cb -0.11 0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 3ibo s PHE 111 CO 0.07 -1.10 0.00 0.00 -1.34 0.00 0.00 175.22 172.86 3ibo n THR 113 N 2.69 0.40 -2.01 0.00 -2.24 -1.26 -3.03 114.28 108.82 3ibo n THR 113 Ca -0.18 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.58 3ibo n THR 113 Cb 0.53 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.60 3.01 -0.49 4.78 2.19 -1.26 -4.48 117.98 120.13 3ibo s PHE 114 Ca 0.36 1.06 -0.44 0.00 0.33 0.00 0.00 56.93 58.24 3ibo s PHE 114 Cb 0.21 -3.81 -0.19 0.00 -1.31 0.00 0.00 43.02 37.91 3ibo s PHE 114 CO 0.30 -2.62 2.03 -2.30 1.83 0.00 0.00 175.22 174.46 3ibo n PRO 115 N 2.19 0.07 0.00 10.12 -0.02 -1.26 -1.06 135.00 145.03 3ibo n PRO 115 Ca 0.06 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3ibo n PRO 115 Cb 0.40 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 6.72 2.82 0.26 -1.23 0.00 -1.26 -4.93 105.19 107.58 3ibo n GLY 116 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 0.55 0.00 1.61 3.86 -1.36 -3.17 115.15 116.64 3ibo h HIS 117 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3ibo h HIS 117 Cb 0.00 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3ibo h HIS 117 CO 0.00 0.59 0.00 0.66 0.86 0.00 0.00 177.93 180.04 3ibo h SER 118 N 0.48 0.00 -0.69 2.45 4.64 -1.72 0.19 113.55 118.90 3ibo h SER 118 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3ibo h SER 118 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 3ibo h SER 118 CO 0.02 0.00 0.24 0.00 -0.87 0.00 0.00 176.83 176.22 3ibo h ALA 119 N 2.00 1.08 0.00 5.18 0.00 -1.89 -3.33 119.26 122.31 3ibo h ALA 119 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ibo h ALA 119 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ibo h ALA 119 CO 0.00 0.63 -1.32 1.28 0.00 0.00 0.00 179.25 179.84 3ibo n LEU 120 N -4.27 0.00 -4.26 0.00 7.99 -0.94 -4.82 117.00 110.71 3ibo n LEU 120 Ca 0.06 0.00 -0.44 0.00 -0.01 0.00 0.00 56.01 55.62 3ibo n LEU 120 Cb 0.21 0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 3ibo n LEU 120 CO 0.41 0.03 0.97 0.23 -1.51 0.00 0.00 177.39 177.52 3ibo n MET 121 N -1.83 3.75 -3.80 3.23 2.81 0.63 -4.76 117.12 117.15 3ibo n MET 121 Ca -0.03 -4.39 -0.10 0.00 -1.81 0.00 0.00 57.70 51.37 3ibo n MET 121 Cb 0.28 -2.60 -0.07 0.00 -0.71 0.00 0.00 33.22 30.12 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 -1.32 0.86 0.13 0.03 0.00 -1.26 -2.68 119.74 115.49 3ibo s LYS 122 Ca 0.32 -0.81 -0.21 0.00 0.00 0.00 0.00 55.97 55.28 3ibo s LYS 122 Cb -0.05 0.36 0.07 0.00 0.00 0.00 0.00 37.83 38.21 3ibo s LYS 122 CO -0.03 -0.28 0.99 0.41 0.00 0.00 0.00 175.35 176.44 3ibo n GLY 123 N 0.10 0.57 3.73 0.59 0.00 -0.16 -4.71 105.19 105.31 3ibo n GLY 123 Ca -0.16 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 3ibo n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ibo s THR 124 N -2.09 4.08 -0.05 2.61 -4.23 -0.25 -0.68 115.64 115.04 3ibo s THR 124 Ca 0.22 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 3ibo s THR 124 Cb -0.02 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.77 3ibo s THR 124 CO 0.04 -0.15 0.10 -0.22 -0.54 0.00 0.00 174.62 173.85 3ibo s LEU 125 N -3.13 0.83 0.17 4.79 0.20 -0.37 -0.65 118.68 120.51 3ibo s LEU 125 Ca 0.30 0.21 -0.14 0.00 0.69 0.00 0.00 54.13 55.18 3ibo s LEU 125 Cb -0.09 0.20 0.01 0.00 -0.43 0.00 0.00 46.19 45.88 3ibo s LEU 125 CO 0.21 -0.14 0.40 -1.38 -0.29 0.00 0.00 176.35 175.15 3ibo s HIS 126 N 1.17 0.07 0.12 5.38 -3.43 -1.03 -1.00 115.29 116.55 3ibo s HIS 126 Ca -0.09 -0.42 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 3ibo s HIS 126 Cb -0.12 0.19 -0.06 0.00 -1.43 0.00 0.00 32.58 31.16 3ibo s HIS 126 CO -0.05 -0.79 1.04 -0.51 -2.00 0.00 0.00 174.74 172.42 3ibo s LEU 127 N -2.90 4.47 0.00 5.38 1.43 -1.26 -1.04 118.68 124.76 3ibo s LEU 127 Ca 0.11 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 3ibo s LEU 127 Cb 0.01 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.69 3ibo s LEU 127 CO -0.04 -0.19 0.67 2.29 0.23 0.00 0.00 176.35 179.32