#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4b n GLN 2 N 0.00 -0.10 -1.95 0.00 10.64 -1.26 -4.86 117.38 119.85 1a4b n GLN 2 Ca 0.00 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.88 1a4b n GLN 2 Cb 0.00 -1.64 0.03 0.00 -0.86 0.00 0.00 30.24 27.77 1a4b n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a4b s GLU 4 N -3.70 0.40 -0.02 0.00 2.02 -1.26 -1.47 118.70 114.67 1a4b s GLU 4 Ca 0.54 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.87 1a4b s GLU 4 Cb 0.43 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.87 1a4b s GLU 4 CO -0.08 -0.06 0.05 0.00 0.02 0.00 0.00 175.26 175.19 1a4b s ALA 5 N -0.02 -0.07 -0.17 5.21 0.00 -0.35 -4.97 121.76 121.38 1a4b s ALA 5 Ca -0.02 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1a4b s ALA 5 Cb -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1a4b s ALA 5 CO 0.01 -0.06 0.25 0.99 0.00 0.00 0.00 175.76 176.96 1a4b s THR 6 N 0.40 5.33 0.03 0.00 2.01 -1.26 -0.49 115.64 121.66 1a4b s THR 6 Ca -0.03 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1a4b s THR 6 Cb -0.05 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1a4b s THR 6 CO -0.01 0.39 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.61 1a4b s ILE 7 N 0.49 1.50 0.04 1.82 2.07 -0.24 -4.94 121.20 121.94 1a4b s ILE 7 Ca 0.14 -1.06 0.09 0.00 -1.41 0.00 0.00 60.65 58.42 1a4b s ILE 7 Cb -0.13 -1.30 -0.03 0.00 0.13 0.00 0.00 42.46 41.14 1a4b s ILE 7 CO 0.03 0.21 -0.26 -1.61 -1.91 0.00 0.00 174.94 171.40 1a4b s GLU 8 N -0.99 1.83 0.24 3.50 2.02 -1.26 -1.00 118.70 123.04 1a4b s GLU 8 Ca 0.06 -1.09 0.10 0.00 0.02 0.00 0.00 54.97 54.06 1a4b s GLU 8 Cb -0.08 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 1a4b s GLU 8 CO 0.01 0.52 -0.18 -1.54 0.02 0.00 0.00 175.26 174.09 1a4b s SER 9 N -1.17 3.14 0.00 -0.19 1.04 0.09 -1.33 113.70 115.28 1a4b s SER 9 Ca 0.11 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1a4b s SER 9 Cb -0.10 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1a4b s SER 9 CO 0.02 -0.05 0.00 -0.46 0.98 0.00 0.00 173.24 173.73 1a4b n ASN 10 N -0.47 0.00 -0.71 7.02 0.23 -1.26 -0.43 115.26 119.64 1a4b n ASN 10 Ca -0.07 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.03 1a4b n ASN 10 Cb 0.60 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.45 1a4b n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1a4b n ASP 11 N 0.00 2.03 -2.54 0.53 8.00 -1.26 -4.62 116.55 118.70 1a4b n ASP 11 Ca 0.00 -2.08 -0.05 0.00 0.71 0.00 0.00 54.79 53.37 1a4b n ASP 11 Cb 0.00 -0.29 -0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1a4b n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4b n ALA 12 N 0.43 0.14 -0.56 2.24 0.00 -1.26 -5.05 120.51 116.45 1a4b n ALA 12 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1a4b n ALA 12 Cb 0.35 0.19 0.28 0.00 0.00 0.00 0.00 19.45 20.28 1a4b n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a4b n MET 13 N -0.62 3.66 -4.21 0.00 2.81 -1.26 -4.95 117.12 112.55 1a4b n MET 13 Ca -0.01 -2.48 -0.20 0.00 -1.81 0.00 0.00 57.70 53.20 1a4b n MET 13 Cb 0.12 -2.08 -0.12 0.00 -0.71 0.00 0.00 33.22 30.43 1a4b n MET 13 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1a4b s GLN 14 N -2.45 0.90 0.55 0.03 1.03 -1.26 -3.26 119.66 115.21 1a4b s GLN 14 Ca 0.44 -1.00 -0.08 0.00 0.04 0.00 0.00 55.36 54.76 1a4b s GLN 14 Cb 0.34 -0.97 -0.04 0.00 0.03 0.00 0.00 33.01 32.37 1a4b s GLN 14 CO 0.12 0.22 0.91 0.71 -2.54 0.00 0.00 175.29 174.71 1a4b s TYR 15 N -1.23 3.60 -0.66 9.60 2.02 -1.26 -4.33 117.35 125.08 1a4b s TYR 15 Ca 0.00 1.06 0.26 0.00 -0.37 0.00 0.00 57.07 58.02 1a4b s TYR 15 Cb -0.10 -2.52 0.82 0.00 -0.40 0.00 0.00 41.96 39.76 1a4b s TYR 15 CO 0.03 -0.49 1.76 0.38 -1.57 0.00 0.00 175.55 175.66 1a4b h ASP 16 N -0.04 0.00 -3.39 2.29 2.03 -1.60 -3.41 116.42 112.30 1a4b h ASP 16 Ca -0.45 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.18 1a4b h ASP 16 Cb 1.20 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.38 1a4b h ASP 16 CO 0.62 0.00 -0.76 -0.76 -1.03 0.00 0.00 179.24 177.31 1a4b s LEU 17 N -4.64 2.90 0.26 0.15 1.43 -1.26 -4.96 118.68 112.56 1a4b s LEU 17 Ca 0.09 -0.69 0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1a4b s LEU 17 Cb 0.11 -1.65 0.24 0.00 0.03 0.00 0.00 46.19 44.93 1a4b s LEU 17 CO 0.57 -0.07 1.34 0.11 0.23 0.00 0.00 176.35 178.52 1a4b h LYS 18 N 8.03 0.00 -3.99 1.70 1.79 -1.87 -3.45 116.57 118.77 1a4b h LYS 18 Ca -0.38 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.93 1a4b h LYS 18 Cb 1.13 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.58 1a4b h LYS 18 CO 0.60 0.00 -0.69 -1.83 -1.08 0.00 0.00 179.45 176.45 1a4b s GLU 19 N -3.26 0.36 0.01 3.15 -1.05 -1.26 -1.62 118.70 115.03 1a4b s GLU 19 Ca 0.04 -0.69 0.04 0.00 -0.15 0.00 0.00 54.97 54.21 1a4b s GLU 19 Cb 0.09 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1a4b s GLU 19 CO 0.72 -0.06 -0.11 -1.64 0.95 0.00 0.00 175.26 175.12 1a4b s MET 20 N -1.82 0.86 -0.09 -4.83 -1.94 0.19 -4.94 119.30 106.73 1a4b s MET 20 Ca -0.13 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 1a4b s MET 20 Cb -0.07 -0.83 -0.00 0.00 2.01 0.00 0.00 34.83 35.93 1a4b s MET 20 CO -0.02 0.22 -0.24 0.08 -0.01 0.00 0.00 175.02 175.05 1a4b s VAL 21 N -0.45 2.01 -0.31 -6.03 1.01 -1.26 -1.59 120.40 113.78 1a4b s VAL 21 Ca 0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1a4b s VAL 21 Cb -0.05 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1a4b s VAL 21 CO 0.00 0.55 0.19 -0.69 0.00 0.00 0.00 175.10 175.15 1a4b s VAL 22 N 0.21 5.02 0.33 2.92 1.01 -0.09 -4.90 120.40 124.91 1a4b s VAL 22 Ca -0.14 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1a4b s VAL 22 Cb -0.17 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1a4b s VAL 22 CO 0.07 0.12 1.41 -0.62 0.00 0.00 0.00 175.10 176.09 1a4b s ASP 23 N 1.70 6.57 0.06 3.32 2.15 -1.26 -0.38 116.67 128.82 1a4b s ASP 23 Ca 0.06 2.84 0.14 0.00 0.43 0.00 0.00 52.55 56.01 1a4b s ASP 23 Cb -0.17 -2.65 0.59 0.00 -0.30 0.00 0.00 42.92 40.39 1a4b s ASP 23 CO 0.09 -0.71 1.42 0.29 -0.17 0.00 0.00 175.17 176.09 1a4b n LYS 24 N 1.00 0.04 0.00 4.34 5.02 -1.26 -1.23 118.16 126.07 1a4b n LYS 24 Ca 0.02 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.77 1a4b n LYS 24 Cb 0.40 -1.58 0.53 0.00 -0.02 0.00 0.00 35.03 34.36 1a4b n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a4b n SER 25 N -1.66 0.00 -4.76 4.39 3.41 -1.26 -4.87 113.62 108.88 1a4b n SER 25 Ca 0.02 0.22 -0.39 0.00 -0.26 0.00 0.00 58.87 58.47 1a4b n SER 25 Cb 0.14 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1a4b n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4b n LYS 27 N 2.70 0.66 -4.20 0.00 5.02 -1.26 -4.74 118.16 116.34 1a4b n LYS 27 Ca -0.06 0.13 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 1a4b n LYS 27 Cb 0.51 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1a4b n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a4b s GLN 28 N -2.57 0.83 -0.01 1.97 -0.21 -1.26 -1.49 119.66 116.92 1a4b s GLN 28 Ca -0.07 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.42 1a4b s GLN 28 Cb 0.07 -0.84 -0.00 0.00 1.00 0.00 0.00 33.01 33.24 1a4b s GLN 28 CO 0.83 0.19 -0.10 0.12 -2.12 0.00 0.00 175.29 174.21 1a4b s PHE 29 N -1.20 0.96 -0.09 0.91 5.36 -0.46 -4.78 117.98 118.67 1a4b s PHE 29 Ca -0.02 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1a4b s PHE 29 Cb -0.10 -0.64 -0.02 0.00 -0.34 0.00 0.00 43.02 41.93 1a4b s PHE 29 CO 0.02 -0.04 -0.17 0.99 -1.46 0.00 0.00 175.22 174.56 1a4b s THR 30 N -0.11 2.77 -0.14 0.12 2.01 -0.54 -1.05 115.64 118.69 1a4b s THR 30 Ca 0.02 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1a4b s THR 30 Cb -0.05 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1a4b s THR 30 CO -0.00 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1a4b s VAL 31 N -0.01 3.27 -0.38 3.82 1.01 0.44 -1.21 120.40 127.34 1a4b s VAL 31 Ca -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1a4b s VAL 31 Cb -0.14 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 33.92 1a4b s VAL 31 CO 0.04 0.51 0.15 -2.28 0.00 0.00 0.00 175.10 173.52 1a4b s HIS 32 N 0.45 3.46 -0.09 5.22 5.04 0.36 -0.99 115.29 128.72 1a4b s HIS 32 Ca -0.08 -2.12 -0.21 0.00 -1.54 0.00 0.00 55.06 51.11 1a4b s HIS 32 Cb -0.15 -2.84 -0.04 0.00 0.04 0.00 0.00 32.58 29.59 1a4b s HIS 32 CO 0.04 -0.90 0.62 -1.17 -2.34 0.00 0.00 174.74 170.99 1a4b s LEU 33 N 1.22 4.29 -0.10 8.88 2.96 0.29 -1.08 118.68 135.14 1a4b s LEU 33 Ca 0.03 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 1a4b s LEU 33 Cb -0.22 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 1a4b s LEU 33 CO -0.02 -0.09 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.17 1a4b s LYS 34 N 0.84 3.01 -0.51 1.98 1.02 -0.17 -1.36 119.74 124.54 1a4b s LYS 34 Ca 0.33 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 1a4b s LYS 34 Cb -0.17 -2.38 0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1a4b s LYS 34 CO 0.15 0.26 0.45 -1.58 -0.92 0.00 0.00 175.35 173.71 1a4b s HIS 35 N 0.16 3.27 -2.30 3.18 5.65 -0.06 -0.73 115.29 124.45 1a4b s HIS 35 Ca -0.11 -1.25 0.22 0.00 0.25 0.00 0.00 55.06 54.17 1a4b s HIS 35 Cb -0.16 -3.56 0.84 0.00 -1.18 0.00 0.00 32.58 28.52 1a4b s HIS 35 CO 0.06 -0.95 1.60 1.33 -0.65 0.00 0.00 174.74 176.14 1a4b n VAL 36 N 5.19 0.16 -1.42 0.89 0.24 0.43 -0.57 118.33 123.25 1a4b n VAL 36 Ca -0.13 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.34 61.71 1a4b n VAL 36 Cb 0.41 0.35 0.11 0.00 -1.47 0.00 0.00 33.84 33.24 1a4b n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a4b n GLY 37 N 1.12 -1.44 0.23 7.63 0.00 -1.25 -4.81 105.19 106.66 1a4b n GLY 37 Ca 0.17 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.54 1a4b n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a4b n LYS 38 N -2.54 0.47 -3.10 1.61 2.85 -1.26 -2.53 118.16 113.65 1a4b n LYS 38 Ca 0.09 -1.03 -0.37 0.00 -1.05 0.00 0.00 58.31 55.95 1a4b n LYS 38 Cb 0.30 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.52 1a4b n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a4b s MET 39 N -0.56 4.28 0.79 -1.58 -1.94 -1.26 -4.78 119.30 114.24 1a4b s MET 39 Ca 0.07 0.89 -0.11 0.00 -1.71 0.00 0.00 55.69 54.83 1a4b s MET 39 Cb 0.05 -2.94 0.06 0.00 2.01 0.00 0.00 34.83 34.01 1a4b s MET 39 CO 0.07 0.43 1.09 0.00 -0.01 0.00 0.00 175.02 176.60 1a4b s ALA 40 N -1.45 2.17 0.25 3.03 0.00 -1.26 -0.37 121.76 124.13 1a4b s ALA 40 Ca 0.41 0.20 0.34 0.00 0.00 0.00 0.00 51.96 52.91 1a4b s ALA 40 Cb -0.18 -3.25 1.54 0.00 0.00 0.00 0.00 23.12 21.23 1a4b s ALA 40 CO 0.21 -1.83 2.05 1.57 0.00 0.00 0.00 175.76 177.77 1a4b h LYS 41 N -1.17 0.00 0.00 0.00 2.10 -1.84 -0.89 116.57 114.78 1a4b h LYS 41 Ca -0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.18 1a4b h LYS 41 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1a4b h LYS 41 CO 0.52 0.04 -0.13 0.66 -2.00 0.00 0.00 179.45 178.54 1a4b h SER 42 N 0.00 0.00 0.00 7.07 4.64 -1.96 -2.16 113.55 121.14 1a4b h SER 42 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1a4b h SER 42 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 1a4b h SER 42 CO 0.00 0.13 -2.28 0.00 -0.87 0.00 0.00 176.83 173.82 1a4b n ALA 43 N -2.27 1.52 -2.89 5.18 0.00 -0.68 -4.85 120.51 116.53 1a4b n ALA 43 Ca -0.02 -1.02 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 1a4b n ALA 43 Cb 0.26 -0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.71 1a4b n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1a4b n MET 44 N -3.05 1.02 -1.58 0.00 0.00 -0.42 -5.04 117.12 108.05 1a4b n MET 44 Ca -0.38 -2.50 -0.31 0.00 -0.00 0.00 0.00 57.70 54.52 1a4b n MET 44 Cb 0.96 -1.21 0.05 0.00 0.00 0.00 0.00 33.22 33.03 1a4b n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1a4b s GLY 45 N -1.77 1.66 0.00 -5.12 0.00 -0.82 -4.64 107.32 96.64 1a4b s GLY 45 Ca 0.29 0.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.95 1a4b s GLY 45 CO -0.06 0.37 0.21 0.30 0.00 0.00 0.00 173.10 173.92 1a4b s HIS 46 N -3.06 -0.04 0.17 1.90 3.76 -0.34 -4.85 115.29 112.83 1a4b s HIS 46 Ca 0.58 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 55.52 1a4b s HIS 46 Cb -0.14 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 1a4b s HIS 46 CO 0.55 -0.34 0.12 0.27 -0.85 0.00 0.00 174.74 174.48 1a4b n ASN 47 N 1.30 0.07 -3.79 1.40 6.94 -1.26 -0.80 115.26 119.11 1a4b n ASN 47 Ca -0.22 -2.07 -0.21 0.00 -0.02 0.00 0.00 54.58 52.06 1a4b n ASN 47 Cb 0.56 0.73 -0.17 0.00 -2.36 0.00 0.00 39.78 38.54 1a4b n ASN 47 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1a4b s TRP 48 N -2.55 0.52 -0.03 -2.53 -0.00 -1.26 -4.18 118.94 108.91 1a4b s TRP 48 Ca 0.17 -0.08 0.03 0.00 -0.00 0.00 0.00 56.10 56.22 1a4b s TRP 48 Cb 0.01 -0.65 -0.00 0.00 -0.00 0.00 0.00 33.47 32.83 1a4b s TRP 48 CO 0.12 -0.24 -0.12 0.08 -0.00 0.00 0.00 176.95 176.78 1a4b s VAL 49 N 1.61 1.04 -0.14 5.86 1.01 0.28 -0.93 120.40 129.14 1a4b s VAL 49 Ca -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a4b s VAL 49 Cb -0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1a4b s VAL 49 CO -0.03 0.31 -0.16 -0.22 0.00 0.00 0.00 175.10 174.99 1a4b s LEU 50 N 0.04 2.46 0.18 3.92 2.96 0.09 -1.73 118.68 126.61 1a4b s LEU 50 Ca -0.02 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 1a4b s LEU 50 Cb -0.09 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1a4b s LEU 50 CO 0.01 0.12 0.27 0.42 -1.32 0.00 0.00 176.35 175.84 1a4b s THR 51 N 0.61 0.05 0.38 3.68 -4.23 -0.56 -0.55 115.64 115.02 1a4b s THR 51 Ca -0.09 -1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 58.60 1a4b s THR 51 Cb -0.16 -2.03 -0.10 0.00 1.34 0.00 0.00 72.50 71.55 1a4b s THR 51 CO 0.03 -0.22 1.40 -0.54 -0.54 0.00 0.00 174.62 174.76 1a4b s LYS 52 N -4.02 4.08 0.38 3.99 1.02 -1.26 -1.10 119.74 122.84 1a4b s LYS 52 Ca 0.22 2.40 0.16 0.00 0.02 0.00 0.00 55.97 58.77 1a4b s LYS 52 Cb 0.04 -2.91 1.03 0.00 -0.52 0.00 0.00 37.83 35.46 1a4b s LYS 52 CO 0.04 -0.49 1.78 1.49 -0.92 0.00 0.00 175.35 177.25 1a4b h GLU 53 N 2.93 0.45 -0.29 1.68 4.57 -1.89 0.25 114.58 122.28 1a4b h GLU 53 Ca -0.50 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.61 1a4b h GLU 53 Cb 1.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1a4b h GLU 53 CO 0.64 0.30 0.01 0.00 -1.18 0.00 0.00 179.01 178.77 1a4b h ALA 54 N 1.63 1.47 -0.00 2.92 0.00 -1.94 -3.06 119.26 120.28 1a4b h ALA 54 Ca 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a4b h ALA 54 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a4b h ALA 54 CO -0.30 0.38 -0.15 -0.25 0.00 0.00 0.00 179.25 178.93 1a4b n ASP 55 N -4.32 0.48 0.03 0.00 8.00 0.87 -4.58 116.55 117.03 1a4b n ASP 55 Ca 0.01 -0.47 -0.02 0.00 0.71 0.00 0.00 54.79 55.02 1a4b n ASP 55 Cb 0.22 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1a4b n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1a4b h LYS 56 N 0.52 -0.10 -0.43 -1.24 3.64 -1.46 -1.09 116.57 116.42 1a4b h LYS 56 Ca 0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1a4b h LYS 56 Cb 0.40 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1a4b h LYS 56 CO 0.00 -0.07 0.29 1.49 -2.27 0.00 0.00 179.45 178.89 1a4b h GLU 57 N -0.10 0.36 0.70 1.90 4.81 -1.84 -0.16 114.58 120.25 1a4b h GLU 57 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1a4b h GLU 57 Cb 0.09 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1a4b h GLU 57 CO -0.02 0.24 -0.34 0.78 -0.73 0.00 0.00 179.01 178.95 1a4b h GLY 58 N 0.37 -0.99 0.16 1.92 0.00 -1.83 -1.40 103.07 101.32 1a4b h GLY 58 Ca 0.18 0.37 0.13 0.00 0.00 0.00 0.00 47.33 48.01 1a4b h GLY 58 CO -0.04 -0.36 0.24 -2.08 0.00 0.00 0.00 176.54 174.30 1a4b h VAL 59 N -1.13 0.65 -0.70 4.60 2.07 -0.80 -1.08 116.25 119.86 1a4b h VAL 59 Ca -0.10 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1a4b h VAL 59 Cb 0.75 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1a4b h VAL 59 CO 0.16 0.07 0.45 0.00 0.02 0.00 0.00 177.57 178.27 1a4b h ALA 60 N 1.52 1.48 0.19 1.67 0.00 -0.88 0.15 119.26 123.40 1a4b h ALA 60 Ca 0.38 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.88 1a4b h ALA 60 Cb 0.57 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a4b h ALA 60 CO -0.40 0.47 -1.76 1.15 0.00 0.00 0.00 179.25 178.72 1a4b h THR 61 N 0.95 0.94 -0.12 0.00 2.02 -0.10 -1.60 112.91 115.01 1a4b h THR 61 Ca 0.26 -2.51 -0.04 0.00 0.77 0.00 0.00 66.41 64.89 1a4b h THR 61 Cb -0.09 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1a4b h THR 61 CO -0.05 0.86 -0.09 0.44 0.37 0.00 0.00 175.52 177.04 1a4b h ASP 62 N 0.11 0.16 0.01 4.18 3.32 -1.19 -1.00 116.42 122.01 1a4b h ASP 62 Ca -0.35 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1a4b h ASP 62 Cb 2.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.61 1a4b h ASP 62 CO 0.18 0.28 -0.00 1.23 -1.72 0.00 0.00 179.24 179.21 1a4b h GLY 63 N 0.59 -0.01 0.61 2.75 0.00 -0.73 -1.82 103.07 104.47 1a4b h GLY 63 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.48 1a4b h GLY 63 CO 0.02 -0.00 0.61 1.98 0.00 0.00 0.00 176.54 179.14 1a4b h MET 64 N -0.41 0.93 0.00 4.80 1.85 -0.95 0.10 114.93 121.25 1a4b h MET 64 Ca -0.00 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1a4b h MET 64 Cb 0.40 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.22 1a4b h MET 64 CO 0.00 0.62 0.00 0.09 -0.40 0.00 0.00 176.91 177.22 1a4b n ASN 65 N -4.56 0.03 0.05 1.39 3.02 -0.41 -2.96 115.26 111.82 1a4b n ASN 65 Ca 0.17 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.35 1a4b n ASN 65 Cb 0.32 -0.51 0.37 0.00 -0.61 0.00 0.00 39.78 39.35 1a4b n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4b n ALA 66 N -1.51 2.67 0.00 5.41 0.00 0.02 -5.05 120.51 122.05 1a4b n ALA 66 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1a4b n ALA 66 Cb 0.25 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1a4b n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4b n GLY 67 N 1.39 -0.55 0.35 0.00 0.00 -1.16 -4.21 105.19 101.01 1a4b n GLY 67 Ca 0.05 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.47 1a4b n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4b h LEU 68 N 0.00 0.93 -1.80 0.99 5.85 -1.92 -1.13 115.31 118.23 1a4b h LEU 68 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1a4b h LEU 68 Cb 0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1a4b h LEU 68 CO 0.00 0.58 -0.14 0.00 -0.34 0.00 0.00 178.44 178.54 1a4b h ALA 69 N 1.44 1.29 -0.28 1.25 0.00 -2.02 -0.48 119.26 120.47 1a4b h ALA 69 Ca 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a4b h ALA 69 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a4b h ALA 69 CO -0.19 0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.28 1a4b n GLN 70 N -3.68 1.70 -3.18 0.00 1.13 -0.89 -4.89 117.38 107.57 1a4b n GLN 70 Ca -0.02 -1.09 -0.23 0.00 -1.94 0.00 0.00 57.00 53.72 1a4b n GLN 70 Cb 0.26 -1.27 0.04 0.00 0.11 0.00 0.00 30.24 29.38 1a4b n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a4b n ASP 71 N 0.36 -6.08 -4.17 1.08 8.00 -0.19 -2.68 116.55 112.88 1a4b n ASP 71 Ca 0.12 -0.36 -0.32 0.00 0.71 0.00 0.00 54.79 54.94 1a4b n ASP 71 Cb 0.27 -4.88 -0.04 0.00 -0.02 0.00 0.00 41.12 36.44 1a4b n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a4b n TYR 72 N -4.61 -1.57 -3.72 1.24 4.01 -0.48 -4.58 117.16 107.46 1a4b n TYR 72 Ca -0.08 0.73 -0.19 0.00 -0.16 0.00 0.00 57.90 58.20 1a4b n TYR 72 Cb 0.60 -3.12 -0.17 0.00 -0.31 0.00 0.00 39.34 36.34 1a4b n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a4b s VAL 73 N -3.74 -0.04 0.05 -0.72 1.01 -1.09 -3.88 120.40 111.99 1a4b s VAL 73 Ca 0.34 0.34 -0.34 0.00 0.00 0.00 0.00 61.98 62.32 1a4b s VAL 73 Cb -0.19 -0.18 -0.13 0.00 0.00 0.00 0.00 36.38 35.88 1a4b s VAL 73 CO 0.94 0.17 1.71 1.17 0.00 0.00 0.00 175.10 179.08 1a4b n LYS 74 N 4.98 2.16 -1.67 2.72 4.81 -1.26 -4.84 118.16 125.06 1a4b n LYS 74 Ca -0.10 0.78 -0.46 0.00 -0.87 0.00 0.00 58.31 57.66 1a4b n LYS 74 Cb 0.50 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 32.92 1a4b n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a4b n ALA 75 N 4.84 1.27 -1.49 3.14 0.00 -1.26 -1.70 120.51 125.32 1a4b n ALA 75 Ca 0.19 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 1a4b n ALA 75 Cb 0.29 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 1a4b n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4b n GLY 76 N 3.61 1.01 3.61 0.00 0.00 -1.26 -4.94 105.19 107.22 1a4b n GLY 76 Ca 0.18 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1a4b n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4b s ASP 77 N -2.81 5.74 0.58 1.61 -1.08 -0.69 -4.85 116.67 115.17 1a4b s ASP 77 Ca 0.00 1.85 0.28 0.00 -0.52 0.00 0.00 52.55 54.16 1a4b s ASP 77 Cb 0.00 -2.52 1.63 0.00 -1.46 0.00 0.00 42.92 40.58 1a4b s ASP 77 CO 0.00 -1.74 2.11 0.71 0.52 0.00 0.00 175.17 176.76 1a4b h THR 78 N 6.81 0.52 0.00 1.71 1.35 -1.92 -1.46 112.91 119.92 1a4b h THR 78 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1a4b h THR 78 Cb 1.22 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1a4b h THR 78 CO 0.97 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.78 1a4b n ARG 79 N -3.88 0.00 -3.29 4.72 1.74 -1.26 -4.70 116.66 110.00 1a4b n ARG 79 Ca 0.01 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 1a4b n ARG 79 Cb 0.31 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.16 1a4b n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4b s VAL 80 N -3.00 5.06 0.19 1.55 1.01 -0.55 -4.42 120.40 120.23 1a4b s VAL 80 Ca 0.12 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1a4b s VAL 80 Cb 0.17 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1a4b s VAL 80 CO 0.47 -0.16 1.58 0.40 0.00 0.00 0.00 175.10 177.38 1a4b h ILE 81 N 5.58 1.28 -1.60 2.22 2.04 -1.10 -3.47 117.51 122.45 1a4b h ILE 81 Ca -0.28 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.21 1a4b h ILE 81 Cb 1.13 1.29 -0.23 0.00 -0.74 0.00 0.00 36.82 38.28 1a4b h ILE 81 CO 0.75 0.48 0.53 0.00 0.00 0.00 0.00 178.15 179.90 1a4b s ALA 82 N -4.51 -1.92 0.06 1.87 0.00 -1.23 -4.93 121.76 111.11 1a4b s ALA 82 Ca -0.10 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 1a4b s ALA 82 Cb 0.12 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1a4b s ALA 82 CO 0.85 -0.32 0.42 -3.38 0.00 0.00 0.00 175.76 173.33 1a4b s HIS 83 N -1.15 -0.26 0.64 0.00 -3.43 -1.26 -0.73 115.29 109.10 1a4b s HIS 83 Ca -0.02 0.17 0.06 0.00 -0.80 0.00 0.00 55.06 54.46 1a4b s HIS 83 Cb -0.00 0.24 0.11 0.00 -1.43 0.00 0.00 32.58 31.49 1a4b s HIS 83 CO 0.02 -0.61 0.88 0.95 -2.00 0.00 0.00 174.74 173.99 1a4b s THR 84 N -2.77 2.11 0.63 -5.38 -4.23 -0.10 -4.79 115.64 101.10 1a4b s THR 84 Ca -0.03 -0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1a4b s THR 84 Cb -0.00 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1a4b s THR 84 CO -0.04 0.00 1.02 -0.54 -0.54 0.00 0.00 174.62 174.52 1a4b s LYS 85 N -4.87 3.40 0.03 3.99 1.02 -1.26 -4.61 119.74 117.45 1a4b s LYS 85 Ca 0.64 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 1a4b s LYS 85 Cb -0.05 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1a4b s LYS 85 CO 0.41 -0.65 1.05 0.08 -0.92 0.00 0.00 175.35 175.32 1a4b s VAL 86 N -3.18 4.55 0.30 3.17 1.01 -1.26 -4.45 120.40 120.54 1a4b s VAL 86 Ca 0.55 1.85 0.09 0.00 0.00 0.00 0.00 61.98 64.47 1a4b s VAL 86 Cb -0.11 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1a4b s VAL 86 CO 0.53 0.15 -0.11 0.27 0.00 0.00 0.00 175.10 175.94 1a4b s ILE 87 N 0.95 2.07 0.37 2.22 -4.36 0.02 -4.90 121.20 117.56 1a4b s ILE 87 Ca 0.54 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1a4b s ILE 87 Cb -0.24 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.03 1a4b s ILE 87 CO 0.29 -0.32 0.10 0.61 0.24 0.00 0.00 174.94 175.86 1a4b n GLY 88 N -0.65 3.42 3.66 6.27 0.00 -1.26 -1.20 105.19 115.43 1a4b n GLY 88 Ca -0.05 -2.30 -0.44 0.00 0.00 0.00 0.00 46.02 43.23 1a4b n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4b n GLY 89 N 0.57 0.42 2.30 -0.02 0.00 0.50 -2.21 105.19 106.74 1a4b n GLY 89 Ca -0.10 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1a4b n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4b n GLY 90 N 1.19 0.38 3.64 -0.02 0.00 0.26 -4.89 105.19 105.75 1a4b n GLY 90 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1a4b n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4b s GLU 91 N -0.53 2.07 0.06 1.61 2.02 -0.94 -4.97 118.70 118.03 1a4b s GLU 91 Ca 0.00 -1.80 -0.02 0.00 0.02 0.00 0.00 54.97 53.16 1a4b s GLU 91 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1a4b s GLU 91 CO 0.00 0.09 0.02 -1.54 0.02 0.00 0.00 175.26 173.85 1a4b s SER 92 N -3.73 0.41 -0.06 -0.19 1.04 -1.26 -0.89 113.70 109.02 1a4b s SER 92 Ca 0.35 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 1a4b s SER 92 Cb 0.01 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1a4b s SER 92 CO 0.19 -0.63 0.39 -0.62 0.98 0.00 0.00 173.24 173.55 1a4b s ASP 93 N -2.92 -0.32 0.13 7.02 2.15 -0.47 -5.01 116.67 117.25 1a4b s ASP 93 Ca 0.08 0.40 0.09 0.00 0.43 0.00 0.00 52.55 53.55 1a4b s ASP 93 Cb 0.07 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 1a4b s ASP 93 CO -0.09 -0.37 -0.21 -0.44 -0.17 0.00 0.00 175.17 173.89 1a4b s SER 94 N -0.81 2.73 -0.02 -0.34 0.01 -1.26 -0.55 113.70 113.46 1a4b s SER 94 Ca -0.09 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.44 1a4b s SER 94 Cb -0.04 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1a4b s SER 94 CO 0.04 0.05 -0.09 0.54 0.41 0.00 0.00 173.24 174.19 1a4b s VAL 95 N -1.42 0.74 -0.02 3.43 0.11 -0.16 -4.95 120.40 118.12 1a4b s VAL 95 Ca 0.11 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1a4b s VAL 95 Cb -0.09 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1a4b s VAL 95 CO 0.05 0.22 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.03 1a4b s THR 96 N -0.01 3.21 0.13 5.04 2.01 -1.26 -0.42 115.64 124.34 1a4b s THR 96 Ca 0.00 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 1a4b s THR 96 Cb -0.06 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1a4b s THR 96 CO -0.00 0.51 0.11 0.72 -0.69 0.00 0.00 174.62 175.26 1a4b s PHE 97 N -0.83 0.68 -0.12 4.92 -0.71 -0.22 -4.96 117.98 116.74 1a4b s PHE 97 Ca 0.13 -1.08 -0.29 0.00 -1.04 0.00 0.00 56.93 54.66 1a4b s PHE 97 Cb -0.11 -0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 41.34 1a4b s PHE 97 CO 0.03 -0.56 0.99 -0.51 -1.34 0.00 0.00 175.22 173.83 1a4b s ASP 98 N -3.01 7.20 0.57 1.98 1.01 -1.26 -1.36 116.67 121.81 1a4b s ASP 98 Ca 0.20 1.48 0.33 0.00 0.71 0.00 0.00 52.55 55.27 1a4b s ASP 98 Cb 0.06 -2.54 1.73 0.00 1.01 0.00 0.00 42.92 43.18 1a4b s ASP 98 CO -0.00 -0.46 2.16 0.58 0.21 0.00 0.00 175.17 177.66 1a4b h VAL 99 N 5.13 0.34 0.00 -1.27 2.07 -1.55 -2.41 116.25 118.56 1a4b h VAL 99 Ca -0.30 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1a4b h VAL 99 Cb 1.14 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1a4b h VAL 99 CO 0.86 0.06 0.00 -1.54 0.02 0.00 0.00 177.57 176.97 1a4b n SER 100 N -3.46 0.02 0.12 0.57 3.41 -1.26 -0.99 113.62 112.03 1a4b n SER 100 Ca -0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 1a4b n SER 100 Cb 0.18 -0.51 0.43 0.00 -0.26 0.00 0.00 64.21 64.05 1a4b n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1a4b h LYS 101 N 0.00 0.00 -5.87 4.33 1.57 -1.83 -3.44 116.57 111.32 1a4b h LYS 101 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1a4b h LYS 101 Cb 0.07 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.27 1a4b h LYS 101 CO 0.00 0.00 -0.56 -0.51 -0.57 0.00 0.00 179.45 177.81 1a4b s LEU 102 N -4.61 3.96 -0.21 2.94 1.43 -0.16 -5.08 118.68 116.95 1a4b s LEU 102 Ca 0.08 0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 1a4b s LEU 102 Cb 0.11 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1a4b s LEU 102 CO 0.54 0.35 0.56 -0.89 0.23 0.00 0.00 176.35 177.14 1a4b s THR 103 N -1.04 5.07 0.06 5.49 2.01 -1.26 -5.02 115.64 120.95 1a4b s THR 103 Ca 0.17 1.03 -0.36 0.00 0.31 0.00 0.00 61.69 62.84 1a4b s THR 103 Cb -0.12 -3.88 -0.15 0.00 0.01 0.00 0.00 72.50 68.36 1a4b s THR 103 CO 0.07 0.14 1.52 -2.65 -0.69 0.00 0.00 174.62 173.01 1a4b n PRO 104 N 4.99 1.62 -0.50 4.92 -0.02 -1.26 -1.40 135.00 143.35 1a4b n PRO 104 Ca -0.03 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1a4b n PRO 104 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1a4b n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4b n GLY 105 N 3.21 0.75 3.71 -1.23 0.00 -1.26 -5.05 105.19 105.31 1a4b n GLY 105 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1a4b n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a4b s GLU 106 N -0.50 3.67 0.12 1.61 2.12 -0.49 -5.04 118.70 120.19 1a4b s GLU 106 Ca 0.00 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 54.76 1a4b s GLU 106 Cb 0.00 -3.14 -0.07 0.00 0.26 0.00 0.00 34.13 31.19 1a4b s GLU 106 CO 0.00 0.48 0.85 0.00 -0.54 0.00 0.00 175.26 176.05 1a4b s ALA 107 N -0.20 3.35 0.15 6.30 0.00 -1.26 -4.51 121.76 125.58 1a4b s ALA 107 Ca 0.08 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.59 1a4b s ALA 107 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1a4b s ALA 107 CO 0.01 0.12 -0.25 0.71 0.00 0.00 0.00 175.76 176.34 1a4b s TYR 108 N -0.47 2.25 -0.09 0.00 2.02 0.54 -4.34 117.35 117.25 1a4b s TYR 108 Ca 0.41 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.59 1a4b s TYR 108 Cb -0.23 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1a4b s TYR 108 CO 0.27 0.38 0.34 0.00 -1.57 0.00 0.00 175.55 174.97 1a4b s ALA 109 N -1.28 3.65 0.11 3.71 0.00 -0.25 -0.73 121.76 126.96 1a4b s ALA 109 Ca 0.15 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.86 1a4b s ALA 109 Cb -0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 1a4b s ALA 109 CO 0.07 0.29 -0.23 1.52 0.00 0.00 0.00 175.76 177.41 1a4b s TYR 110 N -0.27 1.99 0.15 0.00 -0.85 -0.33 -1.50 117.35 116.54 1a4b s TYR 110 Ca 0.20 -0.40 -0.25 0.00 -0.52 0.00 0.00 57.07 56.10 1a4b s TYR 110 Cb -0.15 -1.09 0.06 0.00 0.38 0.00 0.00 41.96 41.17 1a4b s TYR 110 CO 0.08 0.24 0.88 -0.59 -1.52 0.00 0.00 175.55 174.65 1a4b s PHE 111 N -1.10 -0.20 -0.25 -3.49 -0.71 -0.70 -1.02 117.98 110.51 1a4b s PHE 111 Ca 0.09 -0.10 -0.12 0.00 -1.04 0.00 0.00 56.93 55.76 1a4b s PHE 111 Cb -0.10 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 1a4b s PHE 111 CO 0.05 -0.86 0.23 0.00 -1.34 0.00 0.00 175.22 173.30 1a4b n SER 113 N 4.68 2.87 -4.76 0.00 3.41 -1.26 -1.92 113.62 116.64 1a4b n SER 113 Ca -0.13 -2.12 -0.41 0.00 -0.26 0.00 0.00 58.87 55.95 1a4b n SER 113 Cb 0.52 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1a4b n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a4b s PHE 114 N -1.51 2.80 -0.23 7.33 2.19 -1.26 -4.16 117.98 123.14 1a4b s PHE 114 Ca 0.33 1.00 -0.42 0.00 0.33 0.00 0.00 56.93 58.16 1a4b s PHE 114 Cb 0.19 -3.96 -0.19 0.00 -1.31 0.00 0.00 43.02 37.74 1a4b s PHE 114 CO 0.20 -3.06 1.41 -2.30 1.83 0.00 0.00 175.22 173.29 1a4b n PRO 115 N 1.64 0.31 -0.99 10.12 -0.02 -1.26 -0.75 135.00 144.05 1a4b n PRO 115 Ca 0.05 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1a4b n PRO 115 Cb 0.39 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1a4b n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4b n GLY 116 N 3.01 0.85 0.06 -1.23 0.00 -1.26 -4.92 105.19 101.71 1a4b n GLY 116 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1a4b n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a4b n HIS 117 N -2.24 0.01 -0.09 1.61 8.25 0.07 -4.70 115.22 118.14 1a4b n HIS 117 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1a4b n HIS 117 Cb 0.00 -0.80 0.58 0.00 1.12 0.00 0.00 29.99 30.90 1a4b n HIS 117 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1a4b h TRP 118 N 0.00 0.28 0.00 4.41 5.08 -1.55 0.55 115.95 124.72 1a4b h TRP 118 Ca -0.32 0.01 -0.18 0.00 1.08 0.00 0.00 58.89 59.48 1a4b h TRP 118 Cb 1.73 -0.09 -0.03 0.00 -3.00 0.00 0.00 29.16 27.77 1a4b h TRP 118 CO 0.00 0.11 -0.93 0.00 -1.28 0.00 0.00 178.44 176.34 1a4b h ALA 119 N 1.69 0.52 0.01 0.11 0.00 -1.87 -3.38 119.26 116.35 1a4b h ALA 119 Ca 0.31 -0.81 -0.40 0.00 0.00 0.00 0.00 54.91 54.01 1a4b h ALA 119 Cb 0.87 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1a4b h ALA 119 CO -0.06 1.05 -2.34 -0.12 0.00 0.00 0.00 179.25 177.77 1a4b n MET 120 N -3.24 0.63 -2.98 0.00 0.00 -0.80 -4.79 117.12 105.94 1a4b n MET 120 Ca -0.02 0.24 -0.44 0.00 -0.00 0.00 0.00 57.70 57.48 1a4b n MET 120 Cb 0.87 -1.55 -0.02 0.00 0.00 0.00 0.00 33.22 32.52 1a4b n MET 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1a4b s HIS 121 N -2.51 3.20 0.33 1.12 5.04 0.12 -4.79 115.29 117.81 1a4b s HIS 121 Ca -0.35 -1.48 -0.18 0.00 -1.54 0.00 0.00 55.06 51.52 1a4b s HIS 121 Cb 0.11 -4.23 0.04 0.00 0.04 0.00 0.00 32.58 28.54 1a4b s HIS 121 CO 0.58 -1.43 0.78 -1.59 -2.34 0.00 0.00 174.74 170.74 1a4b s LYS 122 N 2.36 2.00 0.01 2.88 -2.85 -1.26 -1.01 119.74 121.87 1a4b s LYS 122 Ca 0.31 -1.23 -0.05 0.00 -1.00 0.00 0.00 55.97 54.01 1a4b s LYS 122 Cb -0.05 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1a4b s LYS 122 CO -0.09 -0.93 0.21 0.41 0.10 0.00 0.00 175.35 175.05 1a4b n GLY 123 N -0.51 0.79 3.21 0.59 0.00 -0.19 -4.72 105.19 104.36 1a4b n GLY 123 Ca -0.06 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 1a4b n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4b s THR 124 N -2.26 1.69 0.07 2.61 2.01 -0.64 -1.18 115.64 117.94 1a4b s THR 124 Ca 0.05 -0.89 0.09 0.00 0.31 0.00 0.00 61.69 61.25 1a4b s THR 124 Cb -0.00 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1a4b s THR 124 CO 0.00 0.48 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.98 1a4b s LEU 125 N -0.26 2.47 0.11 4.42 0.20 0.09 -0.64 118.68 125.07 1a4b s LEU 125 Ca 0.02 -0.54 -0.17 0.00 0.69 0.00 0.00 54.13 54.13 1a4b s LEU 125 Cb -0.11 -1.42 0.04 0.00 -0.43 0.00 0.00 46.19 44.27 1a4b s LEU 125 CO 0.01 0.23 0.42 -1.59 -0.29 0.00 0.00 176.35 175.13 1a4b s LYS 126 N -1.61 1.05 0.58 1.98 0.00 -0.62 -0.34 119.74 120.78 1a4b s LYS 126 Ca 0.14 -0.62 -0.19 0.00 0.00 0.00 0.00 55.97 55.31 1a4b s LYS 126 Cb -0.10 0.47 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 1a4b s LYS 126 CO 0.05 -0.41 1.20 -0.51 0.00 0.00 0.00 175.35 175.69 1a4b s LEU 127 N -2.63 3.69 0.28 2.77 1.02 -1.26 -0.91 118.68 121.65 1a4b s LEU 127 Ca 0.01 2.37 -0.30 0.00 0.02 0.00 0.00 54.13 56.24 1a4b s LEU 127 Cb 0.01 -4.57 -0.13 0.00 0.02 0.00 0.00 46.19 41.52 1a4b s LEU 127 CO -0.10 -1.52 1.41 -1.54 0.02 0.00 0.00 176.35 174.62 1a4b n SER 128 N -1.50 3.02 0.00 2.29 3.41 0.49 -4.72 113.62 116.61 1a4b n SER 128 Ca 0.13 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 1a4b n SER 128 Cb 0.50 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1a4b n SER 128 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68