#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 0.00 -1.25 0.00 2.13 -1.26 -4.68 120.64 115.58 1r1c n GLU 2 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 1r1c n GLU 2 Cb 0.00 -0.10 -0.10 0.00 0.27 0.00 0.00 31.44 31.51 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 1.61 -0.25 -0.12 0.00 1.04 -1.26 -1.21 113.70 113.52 1r1c s SER 4 Ca 0.65 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 56.25 1r1c s SER 4 Cb 0.28 0.67 0.05 0.00 0.10 0.00 0.00 66.02 67.13 1r1c s SER 4 CO -0.06 -1.24 0.52 0.54 0.98 0.00 0.00 173.24 173.98 1r1c s VAL 5 N -3.92 0.01 -0.16 5.02 0.11 -0.45 -4.41 120.40 116.60 1r1c s VAL 5 Ca 0.12 -0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1r1c s VAL 5 Cb -0.04 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1r1c s VAL 5 CO 0.05 -0.06 0.10 -1.81 -3.33 0.00 0.00 175.10 170.05 1r1c s ASP 6 N -0.46 6.00 -0.03 3.54 1.01 -1.26 -0.42 116.67 125.04 1r1c s ASP 6 Ca -0.06 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.50 1r1c s ASP 6 Cb -0.03 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1r1c s ASP 6 CO 0.04 0.25 -0.20 -0.63 0.21 0.00 0.00 175.17 174.84 1r1c s ILE 7 N -0.10 2.54 -0.13 0.77 -1.09 0.16 -4.90 121.20 118.46 1r1c s ILE 7 Ca 0.09 -0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 57.56 1r1c s ILE 7 Cb -0.12 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1r1c s ILE 7 CO 0.01 0.58 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.13 1r1c s GLN 8 N -0.69 3.39 -0.19 2.79 -0.21 -1.26 -0.74 119.66 122.75 1r1c s GLN 8 Ca 0.11 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 1r1c s GLN 8 Cb -0.10 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.13 1r1c s GLN 8 CO -0.00 0.34 -0.08 0.20 -2.12 0.00 0.00 175.29 173.62 1r1c s GLY 9 N 0.08 1.57 0.00 3.09 0.00 -0.82 -0.97 107.32 110.27 1r1c s GLY 9 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1r1c s GLY 9 CO 0.03 0.21 0.00 1.16 0.00 0.00 0.00 173.10 174.51 1r1c n ASN 10 N 4.35 0.82 0.03 1.64 0.23 -0.82 -4.01 115.26 117.51 1r1c n ASN 10 Ca -0.18 -0.51 0.12 0.00 -0.53 0.00 0.00 54.58 53.48 1r1c n ASN 10 Cb 0.51 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.72 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 -1.12 0.19 -1.45 0.53 8.00 -1.26 -3.12 116.55 118.32 1r1c n ASP 11 Ca 0.00 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.11 1r1c n ASP 11 Cb 0.00 -0.57 0.32 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.69 3.36 -3.19 -1.24 3.00 -1.26 -4.90 117.38 111.46 1r1c n GLN 12 Ca 0.06 -2.58 -0.15 0.00 -0.01 0.00 0.00 57.00 54.32 1r1c n GLN 12 Cb 0.32 -1.80 0.05 0.00 0.00 0.00 0.00 30.24 28.81 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 1.08 -5.19 -4.40 -1.09 1.56 -1.18 -5.01 117.12 102.89 1r1c n MET 13 Ca 0.23 0.55 -0.27 0.00 -0.27 0.00 0.00 57.70 57.95 1r1c n MET 13 Cb 0.79 -4.75 -0.13 0.00 2.15 0.00 0.00 33.22 31.28 1r1c n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1r1c s GLN 14 N -5.75 1.32 0.20 2.12 -0.21 -1.26 -4.32 119.66 111.75 1r1c s GLN 14 Ca 0.34 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 54.35 1r1c s GLN 14 Cb -0.15 -1.69 -0.07 0.00 1.00 0.00 0.00 33.01 32.10 1r1c s GLN 14 CO 0.48 0.40 0.58 -0.06 -2.12 0.00 0.00 175.29 174.58 1r1c s PHE 15 N -1.07 3.53 -1.64 0.91 0.08 -1.26 -1.94 117.98 116.60 1r1c s PHE 15 Ca 0.11 1.05 0.30 0.00 0.12 0.00 0.00 56.93 58.50 1r1c s PHE 15 Cb -0.10 -2.37 1.39 0.00 -0.57 0.00 0.00 43.02 41.36 1r1c s PHE 15 CO 0.05 0.33 1.96 0.27 -0.10 0.00 0.00 175.22 177.73 1r1c n ASN 16 N 0.37 0.30 -3.98 1.36 6.94 -0.14 -4.79 115.26 115.32 1r1c n ASN 16 Ca -0.02 -0.51 -0.08 0.00 -0.02 0.00 0.00 54.58 53.94 1r1c n ASN 16 Cb 0.52 -0.13 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 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 -2.44 0.15 0.00 5.53 -1.32 -1.26 -5.03 115.64 111.27 1r1c s THR 17 Ca 0.31 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1r1c s THR 17 Cb 0.20 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 1r1c s THR 17 CO 0.46 -0.69 0.54 -0.46 -2.21 0.00 0.00 174.62 172.26 1r1c n ASN 18 N -0.03 1.08 -3.91 8.08 2.04 -1.26 -4.89 115.26 116.37 1r1c n ASN 18 Ca -0.12 -1.10 -0.14 0.00 -0.44 0.00 0.00 54.58 52.77 1r1c n ASN 18 Cb 0.62 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.73 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 -0.10 0.23 -0.05 -2.53 0.00 -1.26 -0.93 121.76 117.11 1r1c s ALA 19 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1r1c s ALA 19 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1r1c s ALA 19 CO 0.00 0.04 -0.14 0.42 0.00 0.00 0.00 175.76 176.08 1r1c s ILE 20 N 0.03 1.26 0.06 0.00 1.01 -0.56 -4.95 121.20 118.05 1r1c s ILE 20 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1r1c s ILE 20 Cb -0.02 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1r1c s ILE 20 CO -0.00 0.37 -0.16 0.42 0.00 0.00 0.00 174.94 175.57 1r1c s THR 21 N 0.31 2.95 -0.03 2.92 -4.23 -1.26 -1.60 115.64 114.70 1r1c s THR 21 Ca -0.09 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1r1c s THR 21 Cb -0.13 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.44 1r1c s THR 21 CO 0.03 0.27 -0.07 0.68 -0.54 0.00 0.00 174.62 174.99 1r1c s VAL 22 N -1.00 0.65 0.09 2.29 -7.23 0.60 -4.63 120.40 111.17 1r1c s VAL 22 Ca 0.16 -0.26 -0.36 0.00 -1.81 0.00 0.00 61.98 59.71 1r1c s VAL 22 Cb -0.11 -0.61 -0.16 0.00 0.56 0.00 0.00 36.38 36.06 1r1c s VAL 22 CO 0.07 0.22 1.41 -0.67 -0.31 0.00 0.00 175.10 175.83 1r1c n ASP 23 N 3.53 2.02 -0.30 4.85 4.64 -1.26 0.39 116.55 130.42 1r1c n ASP 23 Ca -0.20 1.11 0.13 0.00 -1.38 0.00 0.00 54.79 54.44 1r1c n ASP 23 Cb 0.53 -1.24 0.28 0.00 -1.04 0.00 0.00 41.12 39.65 1r1c n ASP 23 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1r1c h LYS 24 N 5.02 0.12 -0.74 -0.67 6.56 -1.94 0.64 116.57 125.56 1r1c h LYS 24 Ca -0.47 -0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.22 1r1c h LYS 24 Cb 1.32 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.90 1r1c h LYS 24 CO 0.81 0.08 0.49 0.66 -2.06 0.00 0.00 179.45 179.43 1r1c h SER 25 N 0.13 0.54 -2.66 0.86 4.64 -2.02 -3.43 113.55 111.60 1r1c h SER 25 Ca 0.55 0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 61.37 1r1c h SER 25 Cb 1.13 -0.09 0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1r1c h SER 25 CO -0.74 0.31 1.02 0.00 -0.87 0.00 0.00 176.83 176.55 1r1c h LYS 27 N 7.36 0.15 -5.69 0.00 6.56 -1.88 -3.43 116.57 119.64 1r1c h LYS 27 Ca -0.44 -0.25 -0.47 0.00 -1.06 0.00 0.00 60.65 58.43 1r1c h LYS 27 Cb 1.21 0.09 -0.17 0.00 -0.57 0.00 0.00 32.23 32.79 1r1c h LYS 27 CO 0.95 0.94 -0.76 -0.65 -2.06 0.00 0.00 179.45 177.87 1r1c s GLN 28 N -2.62 1.24 -0.00 3.15 -0.21 -1.26 -0.64 119.66 119.32 1r1c s GLN 28 Ca -0.08 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 53.88 1r1c s GLN 28 Cb 0.08 -1.16 -0.00 0.00 1.00 0.00 0.00 33.01 32.92 1r1c s GLN 28 CO 0.83 0.22 -0.04 0.12 -2.12 0.00 0.00 175.29 174.30 1r1c s PHE 29 N -2.41 0.33 -0.17 0.91 5.36 0.74 -4.76 117.98 117.98 1r1c s PHE 29 Ca 0.17 -0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 1r1c s PHE 29 Cb -0.04 -0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 1r1c s PHE 29 CO 0.06 -0.01 -0.10 0.99 -1.46 0.00 0.00 175.22 174.71 1r1c s THR 30 N -0.08 3.14 -0.21 0.12 2.01 -0.35 -0.28 115.64 119.99 1r1c s THR 30 Ca 0.01 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1r1c s THR 30 Cb -0.01 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1r1c s THR 30 CO -0.00 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1r1c s VAL 31 N 0.90 4.42 -0.27 3.82 1.01 0.65 -1.35 120.40 129.59 1r1c s VAL 31 Ca -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1r1c s VAL 31 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1r1c s VAL 31 CO 0.00 0.41 0.00 0.20 0.00 0.00 0.00 175.10 175.71 1r1c s ASN 32 N 0.96 4.69 -0.14 3.32 0.01 0.44 -1.57 114.94 122.65 1r1c s ASN 32 Ca 0.03 -0.76 -0.05 0.00 -0.71 0.00 0.00 52.86 51.37 1r1c s ASN 32 Cb -0.14 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.71 1r1c s ASN 32 CO 0.03 -0.15 0.05 -0.22 -1.51 0.00 0.00 177.10 175.30 1r1c s LEU 33 N 1.42 3.84 0.16 0.60 2.96 0.85 0.38 118.68 128.89 1r1c s LEU 33 Ca 0.02 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1r1c s LEU 33 Cb -0.17 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1r1c s LEU 33 CO -0.01 0.29 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.30 1r1c s SER 34 N -0.34 1.66 -0.41 3.68 1.04 0.08 -2.21 113.70 117.20 1r1c s SER 34 Ca 0.09 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1r1c s SER 34 Cb -0.12 0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.15 1r1c s SER 34 CO 0.02 -0.41 0.21 -2.28 0.98 0.00 0.00 173.24 171.76 1r1c s HIS 35 N -3.42 1.74 0.71 5.02 2.46 -1.21 -1.95 115.29 118.64 1r1c s HIS 35 Ca 0.20 -2.21 -0.13 0.00 0.47 0.00 0.00 55.06 53.39 1r1c s HIS 35 Cb 0.04 -1.71 0.02 0.00 -0.13 0.00 0.00 32.58 30.80 1r1c s HIS 35 CO 0.02 -0.80 1.11 -1.25 -2.47 0.00 0.00 174.74 171.35 1r1c s PRO 36 N 0.64 2.54 0.00 2.88 0.04 -1.26 -0.68 135.00 139.16 1r1c s PRO 36 Ca 0.17 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1r1c s PRO 36 Cb -0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1r1c s PRO 36 CO -0.03 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 175.97 1r1c n GLY 37 N -0.68 1.29 0.00 0.56 0.00 -1.26 -4.17 105.19 100.94 1r1c n GLY 37 Ca 0.10 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 0.76 -4.83 1.61 0.23 -1.26 -4.19 115.26 107.58 1r1c n ASN 38 Ca 0.00 -1.09 -0.34 0.00 -0.53 0.00 0.00 54.58 52.63 1r1c n ASN 38 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 -0.09 4.11 0.80 -4.53 1.43 -1.26 -4.77 118.68 114.37 1r1c s LEU 39 Ca 0.00 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1r1c s LEU 39 Cb 0.00 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.19 1r1c s LEU 39 CO 0.00 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.33 1r1c s PRO 40 N -2.75 2.07 0.38 1.29 0.04 -1.26 -0.51 135.00 134.27 1r1c s PRO 40 Ca 0.54 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.38 1r1c s PRO 40 Cb -0.12 -1.92 0.78 0.00 0.04 0.00 0.00 34.50 33.29 1r1c s PRO 40 CO 0.18 -1.63 1.82 1.57 0.04 0.00 0.00 177.00 178.98 1r1c h LYS 41 N -1.10 0.00 0.00 4.56 2.10 -1.86 0.89 116.57 121.16 1r1c h LYS 41 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1r1c h LYS 41 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1r1c h LYS 41 CO 0.59 0.36 0.00 0.27 -2.00 0.00 0.00 179.45 178.67 1r1c n ASN 42 N -3.90 0.00 -0.08 7.07 6.94 -1.26 -1.88 115.26 122.16 1r1c n ASN 42 Ca -0.01 -0.13 -0.12 0.00 -0.02 0.00 0.00 54.58 54.29 1r1c n ASN 42 Cb 0.42 -0.27 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 1r1c n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1r1c n VAL 43 N -1.27 0.85 -2.74 3.53 0.31 -0.46 -4.77 118.33 113.78 1r1c n VAL 43 Ca 0.13 -0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.13 1r1c n VAL 43 Cb 0.20 -1.24 0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.18 1.41 -1.96 5.55 0.00 0.18 -5.00 117.12 114.12 1r1c n MET 44 Ca -0.28 -2.90 -0.34 0.00 -0.00 0.00 0.00 57.70 54.19 1r1c n MET 44 Cb 0.76 -1.02 0.03 0.00 0.00 0.00 0.00 33.22 32.99 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 -2.89 2.29 0.00 -5.12 0.00 -0.79 -4.77 107.32 96.04 1r1c s GLY 45 Ca 0.24 0.60 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 1r1c s GLY 45 CO -0.03 0.94 0.06 0.30 0.00 0.00 0.00 173.10 174.37 1r1c s HIS 46 N -2.20 0.10 0.22 1.90 3.76 -0.92 -4.67 115.29 113.48 1r1c s HIS 46 Ca 0.68 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 1r1c s HIS 46 Cb -0.21 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.35 1r1c s HIS 46 CO 0.36 -0.20 0.04 0.54 -0.85 0.00 0.00 174.74 174.64 1r1c s ASN 47 N -1.12 1.26 -0.23 1.40 2.20 -1.26 -1.13 114.94 116.05 1r1c s ASN 47 Ca -0.12 -1.27 -0.05 0.00 -0.94 0.00 0.00 52.86 50.47 1r1c s ASN 47 Cb -0.07 0.13 -0.01 0.00 -2.00 0.00 0.00 41.25 39.29 1r1c s ASN 47 CO 0.00 -0.64 0.00 0.12 -2.94 0.00 0.00 177.10 173.65 1r1c s PHE 48 N -3.68 3.01 -0.04 1.54 5.36 -1.26 -3.91 117.98 119.00 1r1c s PHE 48 Ca 0.31 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 1r1c s PHE 48 Cb 0.07 -2.16 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1r1c s PHE 48 CO 0.09 -0.49 -0.09 0.08 -1.46 0.00 0.00 175.22 173.35 1r1c s VAL 49 N 1.53 0.84 -0.06 3.12 1.01 0.04 -1.94 120.40 124.95 1r1c s VAL 49 Ca 0.06 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1r1c s VAL 49 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1r1c s VAL 49 CO -0.01 0.27 -0.23 -0.22 0.00 0.00 0.00 175.10 174.91 1r1c s LEU 50 N 0.40 2.03 0.25 3.92 2.96 0.04 -0.26 118.68 128.02 1r1c s LEU 50 Ca -0.07 -0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 1r1c s LEU 50 Cb -0.11 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1r1c s LEU 50 CO 0.01 0.22 0.57 -0.94 -1.32 0.00 0.00 176.35 174.90 1r1c s SER 51 N -0.10 -0.18 1.06 3.68 1.04 -0.63 0.29 113.70 118.86 1r1c s SER 51 Ca -0.04 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.53 1r1c s SER 51 Cb -0.13 0.64 0.23 0.00 0.10 0.00 0.00 66.02 66.85 1r1c s SER 51 CO 0.04 -1.20 1.07 0.42 0.98 0.00 0.00 173.24 174.54 1r1c s THR 52 N -3.96 2.05 -0.02 2.02 -4.23 -1.26 0.42 115.64 110.66 1r1c s THR 52 Ca 0.16 0.02 0.20 0.00 -1.18 0.00 0.00 61.69 60.88 1r1c s THR 52 Cb -0.03 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.63 1r1c s THR 52 CO 0.06 -0.02 1.65 0.00 -0.54 0.00 0.00 174.62 175.77 1r1c h ALA 53 N -2.18 0.88 0.00 3.99 0.00 -1.76 -2.75 119.26 117.44 1r1c h ALA 53 Ca -0.57 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1r1c h ALA 53 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1r1c h ALA 53 CO 0.55 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.89 1r1c n ALA 54 N -2.22 2.71 0.31 0.00 0.00 -1.26 -2.99 120.51 117.06 1r1c n ALA 54 Ca 0.01 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1r1c n ALA 54 Cb 0.57 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.76 1r1c n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r1c n ASP 55 N -2.03 0.73 -0.02 0.00 8.00 -1.06 -4.57 116.55 117.61 1r1c n ASP 55 Ca 0.05 0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.62 1r1c n ASP 55 Cb 0.41 0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 41.98 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 -0.19 -0.28 -1.24 1.85 -1.40 -2.32 114.93 111.35 1r1c h MET 56 Ca 0.00 0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.01 1r1c h MET 56 Cb 0.88 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.94 1r1c h MET 56 CO 0.00 -0.13 -0.20 0.37 -0.40 0.00 0.00 176.91 176.55 1r1c h GLN 57 N -0.20 0.51 -0.47 0.39 5.75 -1.80 -1.30 115.11 117.97 1r1c h GLN 57 Ca 0.11 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1r1c h GLN 57 Cb 0.37 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1r1c h GLN 57 CO -0.29 0.69 0.29 0.78 -2.65 0.00 0.00 178.83 177.65 1r1c h GLY 58 N 0.99 0.68 0.93 2.39 0.00 -1.76 0.32 103.07 106.62 1r1c h GLY 58 Ca 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1r1c h GLY 58 CO 0.04 0.27 0.12 -2.08 0.00 0.00 0.00 176.54 174.89 1r1c h VAL 59 N 0.63 1.01 -0.10 4.60 2.07 -1.08 -1.15 116.25 122.24 1r1c h VAL 59 Ca 0.17 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1r1c h VAL 59 Cb -0.03 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1r1c h VAL 59 CO -0.03 0.05 0.03 0.58 0.02 0.00 0.00 177.57 178.21 1r1c h VAL 60 N 0.26 1.18 0.45 2.57 2.07 -0.87 0.65 116.25 122.57 1r1c h VAL 60 Ca 0.09 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1r1c h VAL 60 Cb 0.01 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1r1c h VAL 60 CO -0.05 0.16 -0.24 0.74 0.02 0.00 0.00 177.57 178.20 1r1c h THR 61 N -0.03 0.50 -0.08 2.57 2.02 -0.88 -1.67 112.91 115.34 1r1c h THR 61 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1r1c h THR 61 Cb 0.23 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1r1c h THR 61 CO -0.00 0.00 -0.44 0.44 0.37 0.00 0.00 175.52 175.89 1r1c h ASP 62 N -0.65 0.20 0.03 4.18 3.32 -1.25 -2.62 116.42 119.63 1r1c h ASP 62 Ca -0.06 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1r1c h ASP 62 Cb 0.51 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1r1c h ASP 62 CO 0.08 0.62 -0.18 1.23 -1.72 0.00 0.00 179.24 179.27 1r1c h GLY 63 N 1.28 -0.27 -0.09 2.75 0.00 -0.69 0.15 103.07 106.22 1r1c h GLY 63 Ca 0.01 0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.64 1r1c h GLY 63 CO 0.07 -0.17 -0.27 1.98 0.00 0.00 0.00 176.54 178.15 1r1c h MET 64 N -0.31 -0.19 0.00 4.80 1.85 -1.17 -0.56 114.93 119.34 1r1c h MET 64 Ca 0.05 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1r1c h MET 64 Cb 0.37 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.44 1r1c h MET 64 CO -0.15 -0.13 -0.13 0.00 -0.40 0.00 0.00 176.91 176.10 1r1c h ALA 65 N 0.94 1.61 0.00 0.39 0.00 -1.06 -2.45 119.26 118.70 1r1c h ALA 65 Ca 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1r1c h ALA 65 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r1c h ALA 65 CO -0.51 0.16 -0.32 0.77 0.00 0.00 0.00 179.25 179.35 1r1c h SER 66 N 0.00 0.00 -4.57 0.00 0.02 0.96 -3.48 113.55 106.48 1r1c h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r1c h SER 66 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1r1c h SER 66 CO 0.02 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1r1c n GLY 67 N -0.15 0.12 0.23 -3.77 0.00 -0.92 -4.44 105.19 96.25 1r1c n GLY 67 Ca -0.01 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.40 -2.50 0.99 5.85 -1.89 0.14 115.31 117.50 1r1c h LEU 68 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1r1c h LEU 68 Cb 0.00 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1r1c h LEU 68 CO 0.00 -0.15 0.04 0.44 -0.34 0.00 0.00 178.44 178.42 1r1c h ASP 69 N 0.06 0.00 -0.34 1.25 3.32 -2.01 0.35 116.42 119.06 1r1c h ASP 69 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1r1c h ASP 69 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1r1c h ASP 69 CO -0.56 0.00 0.01 0.29 -1.72 0.00 0.00 179.24 177.25 1r1c n LYS 70 N -2.84 3.34 -1.75 3.56 5.02 -0.05 -4.90 118.16 120.53 1r1c n LYS 70 Ca -0.02 -2.93 -0.18 0.00 -2.02 0.00 0.00 58.31 53.15 1r1c n LYS 70 Cb 0.09 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.28 -5.15 -3.39 4.39 9.92 0.12 -2.66 116.55 119.50 1r1c n ASP 71 Ca 0.24 0.31 -0.23 0.00 -0.53 0.00 0.00 54.79 54.57 1r1c n ASP 71 Cb 0.98 -4.22 0.07 0.00 -0.64 0.00 0.00 41.12 37.30 1r1c n ASP 71 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1r1c n PHE 72 N -2.92 -2.60 -4.00 1.24 3.72 -0.67 -4.65 117.46 107.58 1r1c n PHE 72 Ca -0.19 0.86 -0.22 0.00 -0.05 0.00 0.00 57.45 57.86 1r1c n PHE 72 Cb 0.61 -4.85 -0.17 0.00 -0.94 0.00 0.00 39.48 34.13 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 -7.05 1.05 0.33 4.37 1.43 -1.09 -3.98 118.68 113.74 1r1c s LEU 73 Ca 0.50 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 1r1c s LEU 73 Cb -0.22 -0.50 -0.11 0.00 0.03 0.00 0.00 46.19 45.39 1r1c s LEU 73 CO 0.62 -0.11 1.57 -0.75 0.23 0.00 0.00 176.35 177.91 1r1c s LYS 74 N 1.38 4.10 0.36 1.70 2.20 -1.26 -4.87 119.74 123.34 1r1c s LYS 74 Ca -0.04 2.60 -0.29 0.00 -0.36 0.00 0.00 55.97 57.89 1r1c s LYS 74 Cb -0.13 -2.99 -0.11 0.00 -1.51 0.00 0.00 37.83 33.08 1r1c s LYS 74 CO -0.03 -0.62 1.52 -2.30 -0.36 0.00 0.00 175.35 173.57 1r1c n PRO 75 N 1.51 2.70 -2.89 4.03 -0.02 -1.26 -3.35 135.00 135.71 1r1c n PRO 75 Ca 0.06 0.95 -0.03 0.00 -2.02 0.00 0.00 63.50 62.45 1r1c n PRO 75 Cb 0.38 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1r1c n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1r1c n ASP 76 N 0.91 -0.47 -4.67 2.55 2.03 -1.26 -4.89 116.55 110.75 1r1c n ASP 76 Ca 0.03 -0.11 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 1r1c n ASP 76 Cb 0.38 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 1r1c n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r1c s ASP 77 N -2.73 7.04 0.21 1.67 -1.08 -1.21 -4.96 116.67 115.60 1r1c s ASP 77 Ca 0.01 1.68 0.24 0.00 -0.52 0.00 0.00 52.55 53.96 1r1c s ASP 77 Cb -0.01 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.82 1r1c s ASP 77 CO 0.09 -0.65 1.72 -1.20 0.52 0.00 0.00 175.17 175.65 1r1c n SER 78 N 5.85 0.62 0.17 -0.34 7.64 -1.26 -2.84 113.62 123.45 1r1c n SER 78 Ca 0.12 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.73 1r1c n SER 78 Cb 0.46 -0.77 0.09 0.00 -1.01 0.00 0.00 64.21 62.98 1r1c n SER 78 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1r1c h ARG 79 N 0.00 0.00 -6.18 1.43 3.08 -1.97 -3.45 114.38 107.30 1r1c h ARG 79 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1r1c h ARG 79 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1r1c h ARG 79 CO 0.00 0.05 0.87 0.08 -1.07 0.00 0.00 179.97 179.90 1r1c s VAL 80 N -3.23 4.27 0.13 2.04 1.01 -1.13 -4.47 120.40 119.02 1r1c s VAL 80 Ca 0.04 1.54 0.06 0.00 0.00 0.00 0.00 61.98 63.62 1r1c s VAL 80 Cb 0.07 -4.00 -0.20 0.00 0.00 0.00 0.00 36.38 32.25 1r1c s VAL 80 CO 0.72 -0.11 1.30 0.40 0.00 0.00 0.00 175.10 177.41 1r1c h ILE 81 N 5.41 1.65 -1.92 2.22 2.04 0.40 -3.48 117.51 123.84 1r1c h ILE 81 Ca -0.28 -3.21 -0.03 0.00 1.00 0.00 0.00 64.86 62.34 1r1c h ILE 81 Cb 1.11 2.77 -0.20 0.00 -0.74 0.00 0.00 36.82 39.77 1r1c h ILE 81 CO 0.95 0.92 0.25 0.00 0.00 0.00 0.00 178.15 180.28 1r1c s ALA 82 N -2.82 -1.80 -0.08 1.87 0.00 -1.11 -4.97 121.76 112.85 1r1c s ALA 82 Ca -0.00 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 1r1c s ALA 82 Cb 0.10 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1r1c s ALA 82 CO 0.82 -0.36 0.51 1.14 0.00 0.00 0.00 175.76 177.88 1r1c s GLN 83 N -1.10 0.80 0.58 0.00 -2.07 -1.26 -0.78 119.66 115.84 1r1c s GLN 83 Ca -0.09 0.25 0.08 0.00 -1.82 0.00 0.00 55.36 53.78 1r1c s GLN 83 Cb -0.00 0.38 0.08 0.00 -1.09 0.00 0.00 33.01 32.37 1r1c s GLN 83 CO 0.08 -0.21 0.65 0.25 -1.32 0.00 0.00 175.29 174.74 1r1c n THR 84 N 1.58 0.00 -1.90 3.63 -2.24 -0.82 -4.82 114.28 109.71 1r1c n THR 84 Ca -0.18 -2.09 -0.29 0.00 -2.27 0.00 0.00 64.05 59.21 1r1c n THR 84 Cb 0.56 -0.29 0.08 0.00 -2.10 0.00 0.00 70.33 68.58 1r1c n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1r1c s LYS 85 N -4.53 2.20 -0.22 -0.78 -2.85 -1.26 -4.62 119.74 107.69 1r1c s LYS 85 Ca 0.49 0.20 -0.29 0.00 -1.00 0.00 0.00 55.97 55.37 1r1c s LYS 85 Cb -0.04 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.76 1r1c s LYS 85 CO 0.31 -1.44 1.03 -1.17 0.10 0.00 0.00 175.35 174.18 1r1c s LEU 86 N -5.51 4.11 0.16 2.77 2.96 -1.26 -4.45 118.68 117.45 1r1c s LEU 86 Ca 0.61 1.39 0.11 0.00 -0.22 0.00 0.00 54.13 56.01 1r1c s LEU 86 Cb -0.11 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1r1c s LEU 86 CO 0.50 -0.64 -0.25 0.27 -1.32 0.00 0.00 176.35 174.90 1r1c s ILE 87 N 3.07 2.26 0.00 6.68 -4.36 -0.29 -4.90 121.20 123.66 1r1c s ILE 87 Ca 0.44 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1r1c s ILE 87 Cb -0.15 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.53 1r1c s ILE 87 CO 0.07 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.84 1r1c n GLY 88 N 0.63 2.97 3.60 6.27 0.00 -1.26 -2.17 105.19 115.22 1r1c n GLY 88 Ca -0.16 -2.14 -0.51 0.00 0.00 0.00 0.00 46.02 43.22 1r1c n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r1c n SER 89 N -1.89 1.78 0.00 1.61 2.88 0.33 -1.97 113.62 116.37 1r1c n SER 89 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1r1c n SER 89 Cb 0.00 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 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 2.57 0.90 3.09 0.46 0.00 0.14 -4.97 105.19 107.38 1r1c n GLY 90 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1r1c n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r1c n GLU 91 N -2.05 0.72 -3.56 1.61 1.02 -0.83 -4.95 120.64 112.59 1r1c n GLU 91 Ca 0.00 -2.54 -0.08 0.00 -0.02 0.00 0.00 57.16 54.52 1r1c n GLU 91 Cb 0.00 -0.09 -0.04 0.00 -0.02 0.00 0.00 31.44 31.30 1r1c n GLU 91 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1r1c s LYS 92 N -4.03 0.58 0.16 3.49 -2.85 -1.26 -3.32 119.74 112.51 1r1c s LYS 92 Ca 0.43 -0.03 -0.19 0.00 -1.00 0.00 0.00 55.97 55.18 1r1c s LYS 92 Cb -0.03 0.27 0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1r1c s LYS 92 CO 0.28 -0.22 0.51 0.34 0.10 0.00 0.00 175.35 176.36 1r1c s ASP 93 N -1.66 -0.36 0.11 0.03 2.15 -0.94 -5.02 116.67 110.97 1r1c s ASP 93 Ca 0.03 -0.25 0.04 0.00 0.43 0.00 0.00 52.55 52.80 1r1c s ASP 93 Cb -0.01 0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 43.13 1r1c s ASP 93 CO -0.03 -0.96 -0.11 -0.44 -0.17 0.00 0.00 175.17 173.46 1r1c s SER 94 N -2.81 1.60 -0.12 -0.34 0.01 -1.26 -0.10 113.70 110.68 1r1c s SER 94 Ca 0.04 -0.82 -0.10 0.00 1.31 0.00 0.00 55.95 56.38 1r1c s SER 94 Cb -0.00 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.25 1r1c s SER 94 CO -0.09 -0.24 0.31 0.54 0.41 0.00 0.00 173.24 174.17 1r1c s VAL 95 N -2.41 -0.01 -0.10 3.43 0.11 -0.61 -4.84 120.40 115.97 1r1c s VAL 95 Ca 0.07 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1r1c s VAL 95 Cb -0.03 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1r1c s VAL 95 CO 0.01 0.01 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.74 1r1c s THR 96 N 0.40 2.81 0.17 5.04 2.01 -1.26 -0.26 115.64 124.56 1r1c s THR 96 Ca -0.02 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1r1c s THR 96 Cb -0.04 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1r1c s THR 96 CO -0.02 0.55 0.01 0.72 -0.69 0.00 0.00 174.62 175.19 1r1c s PHE 97 N 0.08 1.21 0.03 4.92 -0.12 0.61 -4.93 117.98 119.78 1r1c s PHE 97 Ca -0.07 -1.03 -0.30 0.00 -0.05 0.00 0.00 56.93 55.47 1r1c s PHE 97 Cb -0.15 -0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 1r1c s PHE 97 CO 0.05 -0.23 1.10 -0.51 -0.05 0.00 0.00 175.22 175.58 1r1c s ASP 98 N -3.17 7.21 0.13 1.98 1.01 -1.26 -0.18 116.67 122.38 1r1c s ASP 98 Ca 0.24 1.84 0.26 0.00 0.71 0.00 0.00 52.55 55.61 1r1c s ASP 98 Cb 0.06 -2.57 0.78 0.00 1.01 0.00 0.00 42.92 42.20 1r1c s ASP 98 CO 0.04 -0.38 1.69 0.52 0.21 0.00 0.00 175.17 177.25 1r1c n VAL 99 N 3.96 0.38 -1.55 -1.27 0.31 0.19 -4.85 118.33 115.49 1r1c n VAL 99 Ca 0.08 -0.20 -0.50 0.00 -0.01 0.00 0.00 64.34 63.70 1r1c n VAL 99 Cb 0.48 -0.41 -0.05 0.00 -0.91 0.00 0.00 33.84 32.96 1r1c n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1r1c n SER 100 N -2.02 0.96 -3.80 4.52 3.41 -1.26 -4.91 113.62 110.52 1r1c n SER 100 Ca 0.05 1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 59.51 1r1c n SER 100 Cb 0.41 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.07 1r1c n SER 100 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1r1c s LYS 101 N -0.35 1.49 -0.02 4.33 -0.14 -1.26 -5.12 119.74 118.67 1r1c s LYS 101 Ca 0.75 -2.16 -0.26 0.00 -1.36 0.00 0.00 55.97 52.94 1r1c s LYS 101 Cb -0.91 -2.68 0.06 0.00 -1.68 0.00 0.00 37.83 32.61 1r1c s LYS 101 CO 0.53 -1.13 0.58 -1.17 -0.76 0.00 0.00 175.35 173.40 1r1c s LEU 102 N 0.23 -0.27 -0.45 3.17 2.96 -1.26 -4.87 118.68 118.17 1r1c s LEU 102 Ca 0.17 0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 54.45 1r1c s LEU 102 Cb -0.24 2.24 0.01 0.00 0.50 0.00 0.00 46.19 48.69 1r1c s LEU 102 CO -0.01 -0.62 0.54 2.29 -1.32 0.00 0.00 176.35 177.23 1r1c n LYS 103 N 0.82 -1.74 -0.04 1.98 -0.00 -1.26 -4.91 118.16 113.01 1r1c n LYS 103 Ca -0.19 1.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.83 1r1c n LYS 103 Cb 0.58 -5.10 0.00 0.00 -0.00 0.00 0.00 35.03 30.51 1r1c n LYS 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1r1c n GLU 104 N -0.77 0.00 0.00 -1.58 -0.58 -1.26 -5.12 120.64 111.33 1r1c n GLU 104 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1r1c n GLU 104 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 1r1c n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r1c n GLY 105 N 0.00 0.51 0.09 0.62 0.00 -1.26 -4.23 105.19 100.92 1r1c n GLY 105 Ca 0.00 -2.25 0.02 0.00 0.00 0.00 0.00 46.02 43.78 1r1c n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r1c n GLU 106 N -0.35 0.63 -3.64 1.61 2.13 -1.26 -4.57 120.64 115.19 1r1c n GLU 106 Ca 0.00 0.14 -0.38 0.00 0.66 0.00 0.00 57.16 57.59 1r1c n GLU 106 Cb 0.00 -1.75 -0.11 0.00 0.27 0.00 0.00 31.44 29.85 1r1c n GLU 106 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1r1c s HIS 107 N -3.00 3.19 0.19 4.31 3.76 -1.26 -4.39 115.29 118.08 1r1c s HIS 107 Ca -0.04 -0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.80 1r1c s HIS 107 Cb 0.09 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.38 1r1c s HIS 107 CO 0.82 -0.20 0.45 -1.58 -0.85 0.00 0.00 174.74 173.39 1r1c s TRP 108 N 1.69 3.46 0.00 1.40 0.51 -0.94 -4.37 118.94 120.69 1r1c s TRP 108 Ca 0.07 0.67 0.02 0.00 -2.12 0.00 0.00 56.10 54.74 1r1c s TRP 108 Cb -0.16 -2.10 -0.03 0.00 -0.81 0.00 0.00 33.47 30.37 1r1c s TRP 108 CO 0.09 0.35 -0.03 -1.64 -0.51 0.00 0.00 176.95 175.20 1r1c s MET 109 N -2.83 2.66 -0.02 4.98 -1.94 0.17 -0.80 119.30 121.51 1r1c s MET 109 Ca 0.43 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 1r1c s MET 109 Cb -0.12 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 1r1c s MET 109 CO 0.24 0.61 -0.18 -0.59 -0.01 0.00 0.00 175.02 175.09 1r1c s PHE 110 N -1.05 2.57 0.23 -0.03 -0.12 -0.76 -1.61 117.98 117.22 1r1c s PHE 110 Ca 0.18 -0.26 -0.15 0.00 -0.05 0.00 0.00 56.93 56.65 1r1c s PHE 110 Cb -0.11 -1.56 0.01 0.00 -0.63 0.00 0.00 43.02 40.73 1r1c s PHE 110 CO 0.09 0.14 0.51 -0.59 -0.05 0.00 0.00 175.22 175.33 1r1c s PHE 111 N -0.75 0.12 -0.10 3.49 -0.12 0.64 -1.34 117.98 119.92 1r1c s PHE 111 Ca 0.12 -0.49 -0.17 0.00 -0.05 0.00 0.00 56.93 56.34 1r1c s PHE 111 Cb -0.10 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 1r1c s PHE 111 CO 0.01 -0.98 0.43 0.00 -0.05 0.00 0.00 175.22 174.63 1r1c n THR 113 N 3.25 1.20 -1.70 0.00 -2.24 -1.26 -3.08 114.28 110.44 1r1c n THR 113 Ca -0.09 -1.05 -0.43 0.00 -2.27 0.00 0.00 64.05 60.21 1r1c n THR 113 Cb 0.52 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 1r1c n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1r1c n PHE 114 N 1.50 2.47 -1.66 4.78 7.35 -1.26 -4.38 117.46 126.26 1r1c n PHE 114 Ca 0.25 0.36 -0.65 0.00 -0.76 0.00 0.00 57.45 56.65 1r1c n PHE 114 Cb 0.68 -2.52 -0.09 0.00 0.35 0.00 0.00 39.48 37.90 1r1c n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1r1c n PRO 115 N 2.02 0.00 0.00 -7.13 -0.02 -1.26 0.49 135.00 129.10 1r1c n PRO 115 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1r1c n PRO 115 Cb 0.34 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 3.50 2.32 0.17 -1.23 0.00 -1.26 -4.88 105.19 103.81 1r1c n GLY 116 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 1.61 3.86 -0.22 -3.31 115.15 117.09 1r1c h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r1c h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1r1c h HIS 117 CO 0.00 0.47 0.00 0.66 0.86 0.00 0.00 177.93 179.92 1r1c h SER 118 N 0.00 0.00 -0.42 2.45 4.64 -1.71 0.16 113.55 118.67 1r1c h SER 118 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1r1c h SER 118 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1r1c h SER 118 CO 0.06 0.00 0.17 0.00 -0.87 0.00 0.00 176.83 176.19 1r1c h ALA 119 N 2.08 1.40 0.00 5.18 0.00 -1.91 -3.27 119.26 122.74 1r1c h ALA 119 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1r1c h ALA 119 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r1c h ALA 119 CO 0.00 0.45 -1.65 1.28 0.00 0.00 0.00 179.25 179.32 1r1c n LEU 120 N -4.34 0.00 -4.12 0.00 4.77 -0.87 -4.78 117.00 107.66 1r1c n LEU 120 Ca 0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.65 1r1c n LEU 120 Cb 0.17 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1r1c n LEU 120 CO 0.38 0.07 0.31 -0.04 -1.33 0.00 0.00 177.39 176.78 1r1c s MET 121 N -2.77 3.20 0.16 3.23 -1.94 -0.01 -4.64 119.30 116.52 1r1c s MET 121 Ca -0.05 -3.12 -0.18 0.00 -1.71 0.00 0.00 55.69 50.63 1r1c s MET 121 Cb 0.07 -3.96 0.04 0.00 2.01 0.00 0.00 34.83 33.00 1r1c s MET 121 CO 0.53 -1.25 0.49 -1.59 -0.01 0.00 0.00 175.02 173.20 1r1c s LYS 122 N -1.07 1.24 0.01 2.03 0.00 -1.26 -2.24 119.74 118.45 1r1c s LYS 122 Ca 0.25 -0.72 -0.08 0.00 0.00 0.00 0.00 55.97 55.42 1r1c s LYS 122 Cb -0.10 0.52 0.03 0.00 0.00 0.00 0.00 37.83 38.28 1r1c s LYS 122 CO -0.11 -0.51 0.38 0.41 0.00 0.00 0.00 175.35 175.52 1r1c n GLY 123 N -0.30 0.66 3.38 0.59 0.00 -0.45 -4.78 105.19 104.29 1r1c n GLY 123 Ca -0.14 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.19 2.15 -0.16 2.61 -4.23 -0.10 -1.83 115.64 111.88 1r1c s THR 124 Ca 0.09 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1r1c s THR 124 Cb -0.00 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.90 1r1c s THR 124 CO 0.00 -0.08 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.66 1r1c s LEU 125 N -2.38 1.77 0.02 4.79 0.20 0.02 -1.49 118.68 121.61 1r1c s LEU 125 Ca 0.16 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1r1c s LEU 125 Cb -0.08 -1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 44.51 1r1c s LEU 125 CO 0.07 -0.09 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.11 1r1c s THR 126 N 1.50 0.20 -0.35 3.68 2.01 -0.62 -2.21 115.64 119.84 1r1c s THR 126 Ca 0.03 -0.95 -0.37 0.00 0.31 0.00 0.00 61.69 60.72 1r1c s THR 126 Cb -0.14 -0.33 -0.13 0.00 0.01 0.00 0.00 72.50 71.91 1r1c s THR 126 CO -0.10 -0.48 2.13 0.18 -0.69 0.00 0.00 174.62 175.67 1r1c n LEU 127 N 1.57 2.02 0.00 4.42 4.77 -1.26 -0.29 117.00 128.23 1r1c n LEU 127 Ca -0.24 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1r1c n LEU 127 Cb 0.55 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1r1c n LEU 127 CO 0.20 -0.68 0.16 1.17 -1.33 0.00 0.00 177.39 176.90