#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1c n GLU 2 N 0.00 2.71 -2.89 0.00 2.13 -1.26 -3.78 120.64 117.56 1r1c n GLU 2 Ca 0.00 0.99 -0.18 0.00 0.66 0.00 0.00 57.16 58.63 1r1c n GLU 2 Cb 0.00 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 28.82 1r1c n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1r1c s SER 4 N -2.39 -0.08 0.01 0.00 1.04 -1.25 -2.32 113.70 108.71 1r1c s SER 4 Ca 0.20 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.96 1r1c s SER 4 Cb -0.10 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1r1c s SER 4 CO 0.25 -0.95 -0.09 0.54 0.98 0.00 0.00 173.24 173.96 1r1c s VAL 5 N -3.92 0.70 -0.21 5.02 0.11 0.31 -4.71 120.40 117.70 1r1c s VAL 5 Ca 0.13 -0.63 -0.08 0.00 -2.93 0.00 0.00 61.98 58.47 1r1c s VAL 5 Cb 0.02 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1r1c s VAL 5 CO -0.02 0.02 0.09 -1.81 -3.33 0.00 0.00 175.10 170.05 1r1c s ASP 6 N -0.69 5.73 0.04 3.54 1.01 -1.26 -0.38 116.67 124.65 1r1c s ASP 6 Ca -0.00 0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.35 1r1c s ASP 6 Cb -0.05 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 1r1c s ASP 6 CO 0.00 0.12 -0.09 -0.51 0.21 0.00 0.00 175.17 174.91 1r1c s ILE 7 N 0.69 0.66 0.11 0.77 2.07 0.11 -4.93 121.20 120.68 1r1c s ILE 7 Ca 0.05 -0.93 0.08 0.00 -1.41 0.00 0.00 60.65 58.44 1r1c s ILE 7 Cb -0.13 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 1r1c s ILE 7 CO 0.02 -0.22 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.52 1r1c s GLN 8 N -1.25 1.14 -0.08 3.50 -0.21 -1.26 -1.03 119.66 120.47 1r1c s GLN 8 Ca -0.05 -1.20 0.05 0.00 0.02 0.00 0.00 55.36 54.18 1r1c s GLN 8 Cb -0.08 -1.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 1r1c s GLN 8 CO 0.01 0.32 -0.25 0.20 -2.12 0.00 0.00 175.29 173.45 1r1c s GLY 9 N -2.01 1.31 0.00 3.09 0.00 -1.09 -1.24 107.32 107.39 1r1c s GLY 9 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1r1c s GLY 9 CO 0.05 -0.51 0.00 1.16 0.00 0.00 0.00 173.10 173.79 1r1c n ASN 10 N 3.19 1.52 0.00 1.64 0.23 -0.59 -4.04 115.26 117.21 1r1c n ASN 10 Ca -0.18 -0.75 0.11 0.00 -0.53 0.00 0.00 54.58 53.23 1r1c n ASN 10 Cb 0.52 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.80 1r1c n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1r1c n ASP 11 N -1.11 0.00 -1.64 0.53 8.00 -1.26 -2.21 116.55 118.87 1r1c n ASP 11 Ca 0.00 -0.26 0.04 0.00 0.71 0.00 0.00 54.79 55.28 1r1c n ASP 11 Cb 0.00 -0.18 0.34 0.00 -0.02 0.00 0.00 41.12 41.26 1r1c n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r1c n GLN 12 N -1.18 4.05 -3.65 -1.24 3.00 -1.26 -4.93 117.38 112.17 1r1c n GLN 12 Ca 0.12 -3.07 -0.27 0.00 -0.01 0.00 0.00 57.00 53.77 1r1c n GLN 12 Cb 0.13 -2.14 0.04 0.00 0.00 0.00 0.00 30.24 28.28 1r1c n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1r1c n MET 13 N 0.10 -6.00 -4.15 -1.09 0.00 -0.94 -5.00 117.12 100.04 1r1c n MET 13 Ca 0.29 0.70 -0.13 0.00 -0.00 0.00 0.00 57.70 58.57 1r1c n MET 13 Cb 1.16 -5.62 -0.11 0.00 0.00 0.00 0.00 33.22 28.65 1r1c n MET 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1r1c s GLN 14 N -6.35 0.79 0.33 2.12 2.00 -1.26 -4.26 119.66 113.02 1r1c s GLN 14 Ca 0.57 -1.16 -0.10 0.00 -2.00 0.00 0.00 55.36 52.67 1r1c s GLN 14 Cb -0.27 -0.36 -0.07 0.00 0.80 0.00 0.00 33.01 33.11 1r1c s GLN 14 CO 0.71 0.04 0.67 -0.06 -0.50 0.00 0.00 175.29 176.14 1r1c s PHE 15 N -2.74 3.44 -0.69 1.67 0.08 -1.26 -1.53 117.98 116.95 1r1c s PHE 15 Ca 0.05 0.95 0.06 0.00 0.12 0.00 0.00 56.93 58.12 1r1c s PHE 15 Cb -0.01 -2.35 0.34 0.00 -0.57 0.00 0.00 43.02 40.43 1r1c s PHE 15 CO -0.02 0.07 1.01 0.27 -0.10 0.00 0.00 175.22 176.45 1r1c n ASN 16 N -0.81 2.94 -3.64 1.36 6.94 -0.37 -4.78 115.26 116.90 1r1c n ASN 16 Ca 0.01 -2.38 -0.13 0.00 -0.02 0.00 0.00 54.58 52.06 1r1c n ASN 16 Cb 0.53 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.32 1r1c n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1r1c s THR 17 N -1.72 0.05 -0.04 5.53 -1.32 -1.26 -4.99 115.64 111.89 1r1c s THR 17 Ca 0.22 -0.40 0.06 0.00 -1.21 0.00 0.00 61.69 60.37 1r1c s THR 17 Cb 0.17 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.29 1r1c s THR 17 CO 0.06 -0.22 0.98 -0.46 -2.21 0.00 0.00 174.62 172.77 1r1c n ASN 18 N 0.47 1.65 -3.64 8.08 2.04 -1.26 -4.86 115.26 117.73 1r1c n ASN 18 Ca -0.18 -2.19 -0.08 0.00 -0.44 0.00 0.00 54.58 51.69 1r1c n ASN 18 Cb 0.60 -0.15 -0.09 0.00 -2.53 0.00 0.00 39.78 37.61 1r1c n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1r1c s ALA 19 N -1.34 -1.26 -0.11 -2.53 0.00 -1.26 -1.05 121.76 114.21 1r1c s ALA 19 Ca 0.10 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.64 1r1c s ALA 19 Cb 0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1r1c s ALA 19 CO 0.01 -0.80 -0.15 0.42 0.00 0.00 0.00 175.76 175.23 1r1c s ILE 20 N 2.64 2.85 0.05 0.00 1.01 0.10 -4.96 121.20 122.89 1r1c s ILE 20 Ca -0.01 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1r1c s ILE 20 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1r1c s ILE 20 CO -0.14 0.54 -0.17 0.42 0.00 0.00 0.00 174.94 175.60 1r1c s THR 21 N 0.18 2.90 -0.16 2.92 -4.23 -1.26 -0.56 115.64 115.43 1r1c s THR 21 Ca -0.09 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1r1c s THR 21 Cb -0.15 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1r1c s THR 21 CO 0.05 0.31 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.66 1r1c s VAL 22 N -0.97 1.38 0.31 2.29 1.01 -0.22 -4.90 120.40 119.29 1r1c s VAL 22 Ca 0.16 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1r1c s VAL 22 Cb -0.11 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.72 1r1c s VAL 22 CO 0.06 0.26 1.50 -0.67 0.00 0.00 0.00 175.10 176.25 1r1c n ASP 23 N 4.80 3.50 0.00 3.32 -0.08 -1.26 -3.92 116.55 122.92 1r1c n ASP 23 Ca -0.14 1.17 0.09 0.00 -1.51 0.00 0.00 54.79 54.40 1r1c n ASP 23 Cb 0.48 -1.55 0.44 0.00 2.34 0.00 0.00 41.12 42.83 1r1c n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1r1c n LYS 24 N 1.57 0.22 0.10 -0.67 3.00 -1.26 -1.26 118.16 119.86 1r1c n LYS 24 Ca 0.07 0.13 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 1r1c n LYS 24 Cb 0.36 -1.50 0.46 0.00 0.00 0.00 0.00 35.03 34.35 1r1c n LYS 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1r1c n SER 25 N -1.32 0.59 -4.69 3.14 3.41 -1.26 -4.81 113.62 108.68 1r1c n SER 25 Ca 0.08 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.89 1r1c n SER 25 Cb 0.15 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 1r1c n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r1c h LYS 27 N 7.01 0.01 -4.55 0.00 1.57 -1.89 -3.42 116.57 115.30 1r1c h LYS 27 Ca -0.35 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.21 1r1c h LYS 27 Cb 1.17 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.33 1r1c h LYS 27 CO 0.81 0.96 -0.70 -0.65 -0.57 0.00 0.00 179.45 179.30 1r1c s GLN 28 N -2.70 0.75 -0.06 3.15 -0.21 -1.26 -1.67 119.66 117.66 1r1c s GLN 28 Ca 0.00 -1.25 -0.04 0.00 0.02 0.00 0.00 55.36 54.10 1r1c s GLN 28 Cb 0.10 -0.12 0.03 0.00 1.00 0.00 0.00 33.01 34.01 1r1c s GLN 28 CO 0.82 -0.03 0.15 0.12 -2.12 0.00 0.00 175.29 174.23 1r1c s PHE 29 N -3.44 -0.17 -0.15 0.91 5.36 -0.74 -4.88 117.98 114.87 1r1c s PHE 29 Ca 0.08 0.44 0.01 0.00 -0.96 0.00 0.00 56.93 56.51 1r1c s PHE 29 Cb 0.04 -0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 1r1c s PHE 29 CO -0.05 -0.13 -0.18 0.99 -1.46 0.00 0.00 175.22 174.39 1r1c s THR 30 N 0.66 2.42 -0.20 0.12 2.01 -0.98 -1.09 115.64 118.56 1r1c s THR 30 Ca -0.05 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1r1c s THR 30 Cb -0.06 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1r1c s THR 30 CO -0.03 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 1r1c s VAL 31 N 0.80 3.23 -0.32 3.82 1.01 0.30 -0.53 120.40 128.70 1r1c s VAL 31 Ca -0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1r1c s VAL 31 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1r1c s VAL 31 CO -0.00 0.45 0.13 0.20 0.00 0.00 0.00 175.10 175.87 1r1c s ASN 32 N 1.30 5.40 -0.17 3.32 0.01 0.48 -1.77 114.94 123.52 1r1c s ASN 32 Ca 0.04 -0.75 -0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1r1c s ASN 32 Cb -0.14 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1r1c s ASN 32 CO -0.03 -0.24 0.07 -0.22 -1.51 0.00 0.00 177.10 175.17 1r1c s LEU 33 N 1.54 3.90 0.13 0.60 2.96 0.17 0.06 118.68 128.04 1r1c s LEU 33 Ca 0.03 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1r1c s LEU 33 Cb -0.18 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1r1c s LEU 33 CO 0.05 0.21 0.01 -0.94 -1.32 0.00 0.00 176.35 174.36 1r1c s SER 34 N 0.14 0.77 -0.47 3.68 1.04 -0.20 -0.75 113.70 117.90 1r1c s SER 34 Ca 0.05 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.38 1r1c s SER 34 Cb -0.12 0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.32 1r1c s SER 34 CO 0.00 -0.62 0.24 -2.28 0.98 0.00 0.00 173.24 171.57 1r1c s HIS 35 N -3.83 2.57 -1.90 5.02 2.46 -1.11 -2.69 115.29 115.81 1r1c s HIS 35 Ca 0.20 -2.77 0.00 0.00 0.47 0.00 0.00 55.06 52.95 1r1c s HIS 35 Cb 0.07 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 1r1c s HIS 35 CO -0.00 -0.77 0.71 -0.35 -2.47 0.00 0.00 174.74 171.86 1r1c n PRO 36 N 3.38 0.75 -0.71 2.88 -0.04 -1.26 -0.92 135.00 139.08 1r1c n PRO 36 Ca 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1r1c n PRO 36 Cb 0.34 -1.04 0.07 0.00 -0.04 0.00 0.00 33.50 32.83 1r1c n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r1c n GLY 37 N 0.24 -1.22 0.00 0.55 0.00 -1.26 -4.86 105.19 98.64 1r1c n GLY 37 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1r1c n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r1c n ASN 38 N -3.31 1.74 -4.87 1.61 0.23 -1.26 -4.02 115.26 105.38 1r1c n ASN 38 Ca 0.06 -1.85 -0.34 0.00 -0.53 0.00 0.00 54.58 51.92 1r1c n ASN 38 Cb 0.21 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.86 1r1c n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1r1c s LEU 39 N -0.85 4.33 0.77 -4.53 1.43 -1.26 -4.86 118.68 113.71 1r1c s LEU 39 Ca 0.00 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 1r1c s LEU 39 Cb 0.00 -3.09 0.06 0.00 0.03 0.00 0.00 46.19 43.18 1r1c s LEU 39 CO 0.00 0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.64 1r1c s PRO 40 N -2.05 2.28 0.54 1.29 0.04 -1.26 -1.12 135.00 134.72 1r1c s PRO 40 Ca 0.35 0.93 0.29 0.00 0.04 0.00 0.00 61.00 62.61 1r1c s PRO 40 Cb -0.14 -1.92 1.54 0.00 0.04 0.00 0.00 34.50 34.02 1r1c s PRO 40 CO 0.19 -1.56 2.10 1.57 0.04 0.00 0.00 177.00 179.35 1r1c h LYS 41 N -1.06 0.00 0.00 4.56 2.10 -1.84 0.81 116.57 121.14 1r1c h LYS 41 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1r1c h LYS 41 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1r1c h LYS 41 CO 0.55 0.09 -0.00 -2.95 -2.00 0.00 0.00 179.45 175.14 1r1c h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.93 0.49 115.58 120.15 1r1c h ASN 42 Ca -0.00 -0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 1r1c h ASN 42 Cb 0.29 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.48 1r1c h ASN 42 CO 0.01 0.00 -2.18 0.52 0.07 0.00 0.00 177.43 175.85 1r1c n VAL 43 N -3.03 1.17 -2.50 6.14 0.31 -0.62 -4.78 118.33 115.03 1r1c n VAL 43 Ca 0.04 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.89 1r1c n VAL 43 Cb 0.52 -1.59 0.03 0.00 -0.91 0.00 0.00 33.84 31.89 1r1c n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1r1c n MET 44 N -3.65 2.47 -2.10 5.55 0.00 0.27 -4.99 117.12 114.67 1r1c n MET 44 Ca -0.40 -3.82 -0.39 0.00 -0.00 0.00 0.00 57.70 53.09 1r1c n MET 44 Cb 0.83 -1.85 -0.00 0.00 0.00 0.00 0.00 33.22 32.20 1r1c n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1r1c s GLY 45 N -3.58 2.89 0.06 -5.12 0.00 0.16 -4.70 107.32 97.03 1r1c s GLY 45 Ca 0.38 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.31 1r1c s GLY 45 CO -0.02 1.70 -0.16 0.30 0.00 0.00 0.00 173.10 174.92 1r1c s HIS 46 N -1.33 1.36 0.33 1.90 3.76 0.47 -4.67 115.29 117.12 1r1c s HIS 46 Ca 0.59 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.13 1r1c s HIS 46 Cb -0.36 -0.78 -0.06 0.00 1.11 0.00 0.00 32.58 32.49 1r1c s HIS 46 CO 0.45 0.08 0.08 0.54 -0.85 0.00 0.00 174.74 175.03 1r1c s ASN 47 N -1.49 2.26 -0.19 1.40 2.20 -1.26 0.15 114.94 118.01 1r1c s ASN 47 Ca 0.02 -1.43 0.01 0.00 -0.94 0.00 0.00 52.86 50.52 1r1c s ASN 47 Cb -0.09 0.05 0.03 0.00 -2.00 0.00 0.00 41.25 39.24 1r1c s ASN 47 CO 0.02 -0.68 -0.17 0.12 -2.94 0.00 0.00 177.10 173.45 1r1c s PHE 48 N -3.35 2.68 -0.03 1.54 5.36 -1.26 -4.13 117.98 118.79 1r1c s PHE 48 Ca 0.35 -1.64 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 1r1c s PHE 48 Cb 0.08 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1r1c s PHE 48 CO 0.15 -0.78 -0.11 0.08 -1.46 0.00 0.00 175.22 173.10 1r1c s VAL 49 N 1.32 0.93 -0.07 3.12 1.01 -0.59 -0.44 120.40 125.68 1r1c s VAL 49 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1r1c s VAL 49 Cb -0.14 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1r1c s VAL 49 CO -0.11 0.29 -0.22 -0.22 0.00 0.00 0.00 175.10 174.83 1r1c s LEU 50 N 0.21 2.01 0.32 3.92 2.96 -0.71 -1.44 118.68 125.95 1r1c s LEU 50 Ca -0.04 -0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 1r1c s LEU 50 Cb -0.10 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.35 1r1c s LEU 50 CO 0.01 0.19 0.58 -0.94 -1.32 0.00 0.00 176.35 174.87 1r1c s SER 51 N 0.09 0.27 0.71 3.68 1.04 -0.87 -0.23 113.70 118.38 1r1c s SER 51 Ca -0.09 -1.15 -0.14 0.00 0.48 0.00 0.00 55.95 55.05 1r1c s SER 51 Cb -0.15 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1r1c s SER 51 CO 0.05 -1.36 1.14 0.42 0.98 0.00 0.00 173.24 174.47 1r1c s THR 52 N -3.22 2.90 0.41 2.02 -4.23 -1.26 -1.27 115.64 110.99 1r1c s THR 52 Ca 0.22 0.40 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 1r1c s THR 52 Cb -0.02 -2.89 0.35 0.00 1.34 0.00 0.00 72.50 71.28 1r1c s THR 52 CO 0.13 -0.28 1.91 0.00 -0.54 0.00 0.00 174.62 175.84 1r1c h ALA 53 N -0.37 2.04 -0.30 3.99 0.00 -1.75 -1.68 119.26 121.20 1r1c h ALA 53 Ca -0.46 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1r1c h ALA 53 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1r1c h ALA 53 CO 0.51 -0.25 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 1r1c h ALA 54 N 1.63 1.25 0.00 0.00 0.00 -1.91 -2.98 119.26 117.26 1r1c h ALA 54 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1r1c h ALA 54 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1r1c h ALA 54 CO -0.14 0.49 -0.69 -0.25 0.00 0.00 0.00 179.25 178.66 1r1c n ASP 55 N -4.21 0.65 0.07 0.00 8.00 -0.68 -4.51 116.55 115.87 1r1c n ASP 55 Ca 0.01 -0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 1r1c n ASP 55 Cb 0.32 0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 1r1c n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1r1c h MET 56 N 0.00 -0.41 -0.76 -1.24 4.05 -1.27 -0.78 114.93 114.52 1r1c h MET 56 Ca 0.00 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.50 1r1c h MET 56 Cb 0.71 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.55 1r1c h MET 56 CO 0.00 -0.27 0.46 0.37 0.23 0.00 0.00 176.91 177.70 1r1c h GLN 57 N -0.43 0.84 -0.44 0.39 5.75 -1.79 -1.74 115.11 117.69 1r1c h GLN 57 Ca 0.06 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 1r1c h GLN 57 Cb 0.50 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1r1c h GLN 57 CO -0.22 0.56 -0.04 0.78 -2.65 0.00 0.00 178.83 177.26 1r1c h GLY 58 N 0.87 0.79 1.34 2.39 0.00 -1.80 -1.29 103.07 105.38 1r1c h GLY 58 Ca 0.33 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 1r1c h GLY 58 CO -0.15 0.50 -0.48 -2.08 0.00 0.00 0.00 176.54 174.33 1r1c h VAL 59 N 0.68 1.30 0.17 4.60 2.07 -0.68 -2.05 116.25 122.34 1r1c h VAL 59 Ca 0.13 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1r1c h VAL 59 Cb 0.48 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1r1c h VAL 59 CO 0.02 0.54 -0.08 0.58 0.02 0.00 0.00 177.57 178.65 1r1c h VAL 60 N 0.56 0.93 -0.35 2.57 2.07 -0.85 0.38 116.25 121.57 1r1c h VAL 60 Ca 0.03 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1r1c h VAL 60 Cb 1.03 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 1r1c h VAL 60 CO 0.10 0.13 -0.21 0.74 0.02 0.00 0.00 177.57 178.35 1r1c h THR 61 N -0.51 0.41 -0.26 2.57 2.02 -1.30 0.16 112.91 116.00 1r1c h THR 61 Ca -0.02 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1r1c h THR 61 Cb 0.39 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1r1c h THR 61 CO 0.04 0.00 -0.31 0.44 0.37 0.00 0.00 175.52 176.06 1r1c h ASP 62 N -0.16 0.56 0.13 4.18 3.32 -1.38 -1.82 116.42 121.25 1r1c h ASP 62 Ca 0.17 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1r1c h ASP 62 Cb 0.43 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1r1c h ASP 62 CO -0.45 0.84 -0.07 1.23 -1.72 0.00 0.00 179.24 179.07 1r1c h GLY 63 N 1.04 -0.20 0.21 2.75 0.00 -0.19 -2.40 103.07 104.28 1r1c h GLY 63 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1r1c h GLY 63 CO 0.06 -0.08 -0.24 1.98 0.00 0.00 0.00 176.54 178.26 1r1c h MET 64 N -0.19 -0.26 0.00 4.80 1.85 -0.44 -0.62 114.93 120.06 1r1c h MET 64 Ca -0.01 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1r1c h MET 64 Cb 0.16 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.25 1r1c h MET 64 CO 0.02 -0.18 0.11 0.00 -0.40 0.00 0.00 176.91 176.46 1r1c h ALA 65 N 0.73 1.09 0.00 0.39 0.00 -1.17 -1.08 119.26 119.21 1r1c h ALA 65 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r1c h ALA 65 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r1c h ALA 65 CO -0.35 -0.09 -0.65 0.77 0.00 0.00 0.00 179.25 178.93 1r1c h SER 66 N 0.00 0.00 -4.52 0.00 0.02 -0.59 -3.50 113.55 104.96 1r1c h SER 66 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1r1c h SER 66 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1r1c h SER 66 CO 0.00 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1r1c n GLY 67 N 1.27 -0.10 0.37 -3.77 0.00 -0.41 -4.40 105.19 98.15 1r1c n GLY 67 Ca 0.02 -1.65 0.21 0.00 0.00 0.00 0.00 46.02 44.61 1r1c n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r1c h LEU 68 N 0.00 0.56 -1.70 0.99 5.85 -1.90 -1.53 115.31 117.58 1r1c h LEU 68 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1r1c h LEU 68 Cb 0.00 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1r1c h LEU 68 CO 0.00 0.06 -0.18 0.44 -0.34 0.00 0.00 178.44 178.43 1r1c h ASP 69 N 0.47 0.00 -0.63 1.25 3.45 -2.01 -0.72 116.42 118.24 1r1c h ASP 69 Ca 0.64 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.74 1r1c h ASP 69 Cb 1.43 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.99 1r1c h ASP 69 CO -0.42 0.18 0.13 0.29 -1.57 0.00 0.00 179.24 177.85 1r1c n LYS 70 N -4.11 2.21 -1.37 3.56 5.02 -0.64 -4.90 118.16 117.92 1r1c n LYS 70 Ca -0.02 -3.27 -0.13 0.00 -2.02 0.00 0.00 58.31 52.87 1r1c n LYS 70 Cb 0.25 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 1r1c n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r1c n ASP 71 N -1.07 -4.76 -3.83 4.39 8.00 -0.28 -1.81 116.55 117.20 1r1c n ASP 71 Ca 0.44 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.99 1r1c n ASP 71 Cb 1.14 -3.39 0.03 0.00 -0.02 0.00 0.00 41.12 38.88 1r1c n ASP 71 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r1c n PHE 72 N -2.56 -2.20 -4.05 1.24 3.72 -0.82 -4.68 117.46 108.12 1r1c n PHE 72 Ca -0.13 0.89 -0.18 0.00 -0.05 0.00 0.00 57.45 57.98 1r1c n PHE 72 Cb 0.46 -4.18 -0.16 0.00 -0.94 0.00 0.00 39.48 34.66 1r1c n PHE 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1r1c s LEU 73 N -7.08 1.32 0.23 4.37 1.43 -0.75 -4.17 118.68 114.03 1r1c s LEU 73 Ca 0.43 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1r1c s LEU 73 Cb -0.21 -0.32 -0.10 0.00 0.03 0.00 0.00 46.19 45.59 1r1c s LEU 73 CO 0.82 -0.06 1.42 -0.75 0.23 0.00 0.00 176.35 178.01 1r1c s LYS 74 N 0.86 4.29 0.19 1.70 2.20 -1.26 -4.87 119.74 122.85 1r1c s LYS 74 Ca -0.10 2.25 -0.31 0.00 -0.36 0.00 0.00 55.97 57.45 1r1c s LYS 74 Cb -0.13 -3.14 -0.11 0.00 -1.51 0.00 0.00 37.83 32.95 1r1c s LYS 74 CO -0.01 -0.40 1.60 -2.14 -0.36 0.00 0.00 175.35 174.04 1r1c s PRO 75 N -0.14 4.19 -1.27 4.03 0.02 -1.26 -2.92 135.00 137.65 1r1c s PRO 75 Ca 0.60 2.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.98 1r1c s PRO 75 Cb -0.41 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.00 1r1c s PRO 75 CO 0.41 -0.63 1.10 -0.25 -0.33 0.00 0.00 177.00 177.30 1r1c n ASP 76 N 3.72 -5.16 -4.64 2.53 8.00 -1.26 -4.90 116.55 114.84 1r1c n ASP 76 Ca 0.13 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.66 1r1c n ASP 76 Cb 0.38 -4.91 -0.02 0.00 -0.02 0.00 0.00 41.12 36.55 1r1c n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r1c s ASP 77 N -3.57 6.86 0.32 -2.24 -1.08 -1.15 -4.85 116.67 110.97 1r1c s ASP 77 Ca 0.42 1.07 0.26 0.00 -0.52 0.00 0.00 52.55 53.78 1r1c s ASP 77 Cb -0.19 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.60 1r1c s ASP 77 CO 0.71 -0.94 1.76 0.77 0.52 0.00 0.00 175.17 177.99 1r1c h SER 78 N 8.41 0.00 -0.19 -0.34 4.64 -1.93 -1.93 113.55 122.21 1r1c h SER 78 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1r1c h SER 78 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1r1c h SER 78 CO 1.04 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.89 1r1c n ARG 79 N -2.53 1.74 -3.04 4.77 0.00 -1.26 -4.77 116.66 111.57 1r1c n ARG 79 Ca 0.03 -1.12 -0.43 0.00 -0.00 0.00 0.00 57.85 56.33 1r1c n ARG 79 Cb 0.37 -1.39 -0.06 0.00 -0.00 0.00 0.00 32.46 31.38 1r1c n ARG 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1r1c s VAL 80 N -1.76 4.75 0.20 8.89 1.01 -0.73 -4.50 120.40 128.25 1r1c s VAL 80 Ca 0.32 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1r1c s VAL 80 Cb 0.17 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 1r1c s VAL 80 CO 0.25 -0.61 1.48 0.40 0.00 0.00 0.00 175.10 176.62 1r1c h ILE 81 N 5.90 1.38 -2.36 2.22 2.04 -0.91 -3.46 117.51 122.31 1r1c h ILE 81 Ca -0.25 -2.08 -0.08 0.00 1.00 0.00 0.00 64.86 63.44 1r1c h ILE 81 Cb 1.09 2.06 -0.21 0.00 -0.74 0.00 0.00 36.82 39.03 1r1c h ILE 81 CO 0.92 0.62 -0.01 0.00 0.00 0.00 0.00 178.15 179.68 1r1c s ALA 82 N -3.67 -1.42 -0.08 1.87 0.00 -1.22 -4.96 121.76 112.28 1r1c s ALA 82 Ca -0.05 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 1r1c s ALA 82 Cb 0.11 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1r1c s ALA 82 CO 0.83 -0.30 0.34 1.14 0.00 0.00 0.00 175.76 177.76 1r1c s GLN 83 N -0.48 0.53 0.53 0.00 -2.07 -1.26 -1.74 119.66 115.17 1r1c s GLN 83 Ca -0.06 0.20 0.08 0.00 -1.82 0.00 0.00 55.36 53.76 1r1c s GLN 83 Cb -0.03 0.24 0.06 0.00 -1.09 0.00 0.00 33.01 32.20 1r1c s GLN 83 CO 0.04 -0.11 0.73 0.95 -1.32 0.00 0.00 175.29 175.59 1r1c s THR 84 N -0.46 2.44 0.74 3.63 -4.23 0.42 -4.81 115.64 113.37 1r1c s THR 84 Ca -0.06 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1r1c s THR 84 Cb -0.04 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.43 1r1c s THR 84 CO 0.02 0.00 1.03 -1.59 -0.54 0.00 0.00 174.62 173.55 1r1c s LYS 85 N -4.60 1.80 -0.12 3.99 -2.85 -1.26 -4.51 119.74 112.19 1r1c s LYS 85 Ca 0.60 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.66 1r1c s LYS 85 Cb -0.07 -2.20 -0.01 0.00 -2.06 0.00 0.00 37.83 33.48 1r1c s LYS 85 CO 0.37 -1.45 1.08 -1.17 0.10 0.00 0.00 175.35 174.29 1r1c s LEU 86 N -5.27 4.22 0.25 2.77 2.96 -1.26 -4.37 118.68 117.98 1r1c s LEU 86 Ca 0.64 1.58 0.10 0.00 -0.22 0.00 0.00 54.13 56.24 1r1c s LEU 86 Cb -0.08 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1r1c s LEU 86 CO 0.45 -0.55 -0.10 0.27 -1.32 0.00 0.00 176.35 175.10 1r1c s ILE 87 N 2.43 3.02 0.55 6.68 -4.36 0.39 -4.87 121.20 125.04 1r1c s ILE 87 Ca 0.50 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.91 1r1c s ILE 87 Cb -0.19 -2.58 0.05 0.00 1.25 0.00 0.00 42.46 40.98 1r1c s ILE 87 CO 0.16 -0.33 0.47 -0.83 0.24 0.00 0.00 174.94 174.66 1r1c s GLY 88 N -3.42 2.26 0.38 6.27 0.00 -1.26 -0.40 107.32 111.15 1r1c s GLY 88 Ca 0.29 -1.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.33 1r1c s GLY 88 CO 0.17 -1.90 1.41 -1.26 0.00 0.00 0.00 173.10 171.52 1r1c n SER 89 N -1.85 3.36 0.00 1.64 2.88 -0.27 -1.47 113.62 117.91 1r1c n SER 89 Ca 0.01 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1r1c n SER 89 Cb 0.64 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1r1c n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r1c n GLY 90 N 0.58 0.22 4.00 0.46 0.00 -0.09 -4.95 105.19 105.40 1r1c n GLY 90 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1r1c n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r1c s GLU 91 N -1.15 2.44 0.07 1.61 2.02 -0.54 -4.91 118.70 118.24 1r1c s GLU 91 Ca 0.00 -1.59 -0.26 0.00 0.02 0.00 0.00 54.97 53.14 1r1c s GLU 91 Cb 0.00 -2.58 0.08 0.00 0.10 0.00 0.00 34.13 31.74 1r1c s GLU 91 CO 0.00 -0.63 0.71 -1.59 0.02 0.00 0.00 175.26 173.77 1r1c s LYS 92 N -4.49 1.09 0.02 1.61 -2.85 -1.26 -2.75 119.74 111.10 1r1c s LYS 92 Ca 0.55 -0.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.95 1r1c s LYS 92 Cb -0.06 0.50 0.07 0.00 -2.06 0.00 0.00 37.83 36.29 1r1c s LYS 92 CO 0.34 -0.45 0.66 0.34 0.10 0.00 0.00 175.35 176.34 1r1c s ASP 93 N -2.38 -0.62 0.16 0.03 2.15 0.07 -5.00 116.67 111.07 1r1c s ASP 93 Ca 0.00 0.45 0.07 0.00 0.43 0.00 0.00 52.55 53.51 1r1c s ASP 93 Cb -0.01 0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 43.12 1r1c s ASP 93 CO -0.08 -0.73 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.59 1r1c s SER 94 N -1.75 2.38 -0.01 -0.34 0.01 -1.26 0.43 113.70 113.16 1r1c s SER 94 Ca -0.06 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.28 1r1c s SER 94 Cb -0.00 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1r1c s SER 94 CO 0.02 -0.12 0.07 0.54 0.41 0.00 0.00 173.24 174.15 1r1c s VAL 95 N -2.34 0.05 -0.09 3.43 0.11 -0.73 -4.87 120.40 115.96 1r1c s VAL 95 Ca 0.15 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1r1c s VAL 95 Cb -0.04 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1r1c s VAL 95 CO 0.05 -0.21 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.49 1r1c s THR 96 N -0.67 1.94 0.36 5.04 2.01 -1.26 -0.54 115.64 122.52 1r1c s THR 96 Ca -0.07 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1r1c s THR 96 Cb -0.05 -1.67 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 1r1c s THR 96 CO 0.00 0.53 0.02 0.72 -0.69 0.00 0.00 174.62 175.20 1r1c s PHE 97 N 0.28 2.22 -0.38 4.92 -0.12 -0.25 -4.93 117.98 119.72 1r1c s PHE 97 Ca -0.15 -0.78 -0.29 0.00 -0.05 0.00 0.00 56.93 55.66 1r1c s PHE 97 Cb -0.17 -1.48 0.01 0.00 -0.63 0.00 0.00 43.02 40.75 1r1c s PHE 97 CO 0.07 0.26 1.42 -0.51 -0.05 0.00 0.00 175.22 176.41 1r1c s ASP 98 N -3.58 6.37 0.65 1.98 1.01 -1.26 -1.80 116.67 120.04 1r1c s ASP 98 Ca 0.35 0.95 0.42 0.00 0.71 0.00 0.00 52.55 54.98 1r1c s ASP 98 Cb 0.08 -2.54 2.28 0.00 1.01 0.00 0.00 42.92 43.75 1r1c s ASP 98 CO 0.16 -1.38 2.28 0.58 0.21 0.00 0.00 175.17 177.03 1r1c h VAL 99 N 6.38 0.00 0.00 -1.27 2.07 -1.58 -0.59 116.25 121.26 1r1c h VAL 99 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1r1c h VAL 99 Cb 1.11 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1r1c h VAL 99 CO 1.07 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.43 1r1c h SER 100 N 0.00 0.00 -0.00 0.57 4.64 -1.89 -1.91 113.55 114.95 1r1c h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r1c h SER 100 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1r1c h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1r1c n LYS 101 N -2.45 1.02 -3.45 4.77 4.76 -0.23 -4.39 118.16 118.19 1r1c n LYS 101 Ca -0.00 -0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.01 1r1c n LYS 101 Cb 0.12 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 1r1c n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1r1c n LEU 102 N -0.89 4.95 -4.71 -0.35 4.77 -0.72 -5.06 117.00 114.98 1r1c n LEU 102 Ca 0.20 -5.12 -0.42 0.00 -0.03 0.00 0.00 56.01 50.64 1r1c n LEU 102 Cb 0.10 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1r1c n LEU 102 CO 0.15 1.51 1.05 -0.54 -1.33 0.00 0.00 177.39 178.23 1r1c s LYS 103 N -1.54 4.33 0.52 3.23 1.02 -1.26 -4.97 119.74 121.07 1r1c s LYS 103 Ca 0.30 2.04 -0.21 0.00 0.02 0.00 0.00 55.97 58.12 1r1c s LYS 103 Cb -0.06 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1r1c s LYS 103 CO -0.08 -0.42 0.98 -1.91 -0.92 0.00 0.00 175.35 173.00 1r1c n GLU 104 N 3.97 1.13 -1.08 1.68 4.07 -1.26 -2.34 120.64 126.80 1r1c n GLU 104 Ca 0.11 0.42 -0.03 0.00 -0.06 0.00 0.00 57.16 57.60 1r1c n GLU 104 Cb 0.43 -2.12 -0.01 0.00 -0.06 0.00 0.00 31.44 29.67 1r1c n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1r1c n GLY 105 N 1.24 0.60 3.44 8.31 0.00 -1.26 -5.02 105.19 112.51 1r1c n GLY 105 Ca 0.11 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1r1c n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r1c s GLU 106 N -1.59 1.59 -0.04 1.61 2.56 -0.99 -5.15 118.70 116.70 1r1c s GLU 106 Ca 0.00 -1.64 0.07 0.00 0.00 0.00 0.00 54.97 53.39 1r1c s GLU 106 Cb 0.00 -1.80 -0.02 0.00 2.00 0.00 0.00 34.13 34.31 1r1c s GLU 106 CO 0.00 0.36 -0.24 -1.01 -0.56 0.00 0.00 175.26 173.81 1r1c s HIS 107 N -2.09 2.41 0.01 5.30 3.76 -1.26 -4.99 115.29 118.43 1r1c s HIS 107 Ca 0.25 -0.51 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 1r1c s HIS 107 Cb -0.06 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 1r1c s HIS 107 CO 0.12 -0.08 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.12 1r1c s TRP 108 N -0.46 2.06 0.10 1.40 0.51 -1.26 -2.25 118.94 119.05 1r1c s TRP 108 Ca 0.05 -0.39 0.09 0.00 -2.12 0.00 0.00 56.10 53.73 1r1c s TRP 108 Cb -0.11 -1.28 -0.03 0.00 -0.81 0.00 0.00 33.47 31.23 1r1c s TRP 108 CO 0.01 0.04 -0.23 -1.64 -0.51 0.00 0.00 176.95 174.62 1r1c s MET 109 N -0.88 1.27 0.16 4.98 -1.94 -0.39 -1.32 119.30 121.19 1r1c s MET 109 Ca 0.09 -1.18 0.11 0.00 -1.71 0.00 0.00 55.69 53.00 1r1c s MET 109 Cb -0.09 -1.58 -0.04 0.00 2.01 0.00 0.00 34.83 35.13 1r1c s MET 109 CO 0.01 0.38 -0.25 -0.59 -0.01 0.00 0.00 175.02 174.55 1r1c s PHE 110 N -1.06 2.29 0.14 -0.03 -0.12 -0.49 -2.05 117.98 116.65 1r1c s PHE 110 Ca 0.09 -0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 56.35 1r1c s PHE 110 Cb -0.10 -1.18 0.07 0.00 -0.63 0.00 0.00 43.02 41.17 1r1c s PHE 110 CO 0.04 0.42 0.95 -0.59 -0.05 0.00 0.00 175.22 175.99 1r1c s PHE 111 N -1.38 -0.15 -0.14 3.49 -0.12 -0.52 -0.98 117.98 118.18 1r1c s PHE 111 Ca 0.17 -0.14 -0.07 0.00 -0.05 0.00 0.00 56.93 56.84 1r1c s PHE 111 Cb -0.09 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1r1c s PHE 111 CO 0.08 -0.81 0.13 0.00 -0.05 0.00 0.00 175.22 174.57 1r1c n THR 113 N 2.36 0.96 -1.79 0.00 -2.24 -1.26 -3.45 114.28 108.86 1r1c n THR 113 Ca -0.19 -0.96 -0.41 0.00 -2.27 0.00 0.00 64.05 60.21 1r1c n THR 113 Cb 0.54 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1r1c n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1r1c s PHE 114 N -1.04 2.74 -0.34 4.78 5.36 -1.26 -4.32 117.98 123.90 1r1c s PHE 114 Ca 0.48 0.84 -0.40 0.00 -0.96 0.00 0.00 56.93 56.89 1r1c s PHE 114 Cb 0.25 -4.05 -0.18 0.00 -0.34 0.00 0.00 43.02 38.70 1r1c s PHE 114 CO 0.33 -3.48 1.31 -2.30 -1.46 0.00 0.00 175.22 169.62 1r1c n PRO 115 N 1.95 0.00 0.00 10.12 -0.02 -1.26 -0.35 135.00 145.45 1r1c n PRO 115 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1r1c n PRO 115 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1r1c n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r1c n GLY 116 N 3.03 2.98 0.21 -1.23 0.00 -1.26 -4.87 105.19 104.05 1r1c n GLY 116 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1r1c n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1r1c h HIS 117 N 0.00 0.79 0.00 1.61 3.86 -0.96 -3.13 115.15 117.32 1r1c h HIS 117 Ca 0.00 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1r1c h HIS 117 Cb 0.00 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1r1c h HIS 117 CO 0.00 1.10 0.00 -1.13 0.86 0.00 0.00 177.93 178.76 1r1c n SER 118 N -3.92 0.00 -0.15 2.45 3.41 -1.22 -0.29 113.62 113.90 1r1c n SER 118 Ca -0.05 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1r1c n SER 118 Cb 0.68 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1r1c n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r1c h ALA 119 N 2.04 0.44 0.00 7.33 0.00 -1.90 -3.27 119.26 123.90 1r1c h ALA 119 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1r1c h ALA 119 Cb 0.02 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1r1c h ALA 119 CO 0.00 -0.40 -1.93 1.28 0.00 0.00 0.00 179.25 178.21 1r1c n LEU 120 N -5.25 0.00 -4.45 0.00 4.77 -0.38 -4.85 117.00 106.84 1r1c n LEU 120 Ca 0.05 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.59 1r1c n LEU 120 Cb 0.26 0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1r1c n LEU 120 CO 0.15 0.33 1.27 -0.04 -1.33 0.00 0.00 177.39 177.77 1r1c s MET 121 N -2.34 4.01 0.17 3.23 -1.94 0.61 -4.78 119.30 118.25 1r1c s MET 121 Ca -0.07 -2.48 -0.21 0.00 -1.71 0.00 0.00 55.69 51.23 1r1c s MET 121 Cb 0.04 -5.00 0.05 0.00 2.01 0.00 0.00 34.83 31.94 1r1c s MET 121 CO 0.56 -1.73 0.56 -1.59 -0.01 0.00 0.00 175.02 172.81 1r1c s LYS 122 N 1.56 1.28 0.07 2.03 -2.85 -1.26 -2.30 119.74 118.27 1r1c s LYS 122 Ca 0.40 -0.61 -0.23 0.00 -1.00 0.00 0.00 55.97 54.53 1r1c s LYS 122 Cb -0.04 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.37 1r1c s LYS 122 CO -0.02 -0.55 1.08 0.41 0.10 0.00 0.00 175.35 176.37 1r1c n GLY 123 N -0.35 0.43 3.95 0.59 0.00 -0.15 -4.76 105.19 104.90 1r1c n GLY 123 Ca -0.15 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 1r1c n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r1c s THR 124 N -2.06 5.25 -0.05 2.61 -4.23 -0.22 -1.40 115.64 115.54 1r1c s THR 124 Ca 0.25 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1r1c s THR 124 Cb -0.02 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.02 1r1c s THR 124 CO 0.02 -0.28 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.46 1r1c s LEU 125 N -3.75 1.76 0.03 4.79 0.20 -0.43 -0.72 118.68 120.55 1r1c s LEU 125 Ca 0.36 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.88 1r1c s LEU 125 Cb -0.10 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.79 1r1c s LEU 125 CO 0.30 0.08 -0.05 0.42 -0.29 0.00 0.00 176.35 176.81 1r1c s THR 126 N 0.41 0.29 -1.08 3.68 -4.23 0.28 -4.02 115.64 110.97 1r1c s THR 126 Ca -0.10 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1r1c s THR 126 Cb -0.14 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1r1c s THR 126 CO 0.03 -0.46 0.27 0.18 -0.54 0.00 0.00 174.62 174.10 1r1c n LEU 127 N 1.51 0.46 0.00 4.79 4.77 -1.26 -1.05 117.00 126.21 1r1c n LEU 127 Ca -0.23 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1r1c n LEU 127 Cb 0.55 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1r1c n LEU 127 CO 0.20 0.12 0.00 0.29 -1.33 0.00 0.00 177.39 176.67