#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4a s GLN 2 N 0.00 0.91 -0.64 0.00 -2.07 -1.26 -4.95 119.66 111.64 1a4a s GLN 2 Ca 0.00 1.49 -0.01 0.00 -1.82 0.00 0.00 55.36 55.02 1a4a s GLN 2 Cb 0.00 -1.72 0.44 0.00 -1.09 0.00 0.00 33.01 30.64 1a4a s GLN 2 CO 0.00 -2.69 1.91 0.00 -1.32 0.00 0.00 175.29 173.19 1a4a s GLU 4 N -3.83 0.36 -0.09 0.00 2.02 -1.26 -1.45 118.70 114.45 1a4a s GLU 4 Ca 0.61 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 55.00 1a4a s GLU 4 Cb 0.48 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.88 1a4a s GLU 4 CO -0.07 -0.07 0.29 0.00 0.02 0.00 0.00 175.26 175.43 1a4a s ALA 5 N -1.36 -0.71 -0.15 5.21 0.00 -0.32 -4.96 121.76 119.47 1a4a s ALA 5 Ca -0.15 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.47 1a4a s ALA 5 Cb -0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1a4a s ALA 5 CO 0.00 -0.15 0.09 0.99 0.00 0.00 0.00 175.76 176.69 1a4a s THR 6 N -0.08 5.07 -0.01 0.00 2.01 -1.26 -0.66 115.64 120.70 1a4a s THR 6 Ca -0.02 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1a4a s THR 6 Cb -0.03 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 1a4a s THR 6 CO 0.01 0.52 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.84 1a4a s ILE 7 N -0.23 0.90 -0.02 1.82 2.07 0.63 -4.93 121.20 121.44 1a4a s ILE 7 Ca 0.09 -0.48 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1a4a s ILE 7 Cb -0.12 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1a4a s ILE 7 CO 0.01 0.26 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.66 1a4a s GLU 8 N -0.20 2.75 0.19 3.50 2.02 -1.26 -0.76 118.70 124.93 1a4a s GLU 8 Ca 0.03 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.51 1a4a s GLU 8 Cb -0.05 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1a4a s GLU 8 CO -0.00 0.64 -0.16 -1.54 0.02 0.00 0.00 175.26 174.21 1a4a s SER 9 N -1.32 2.62 0.00 -0.19 1.04 -0.29 -0.98 113.70 114.59 1a4a s SER 9 Ca 0.17 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1a4a s SER 9 Cb -0.11 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1a4a s SER 9 CO 0.07 -0.11 0.00 -0.46 0.98 0.00 0.00 173.24 173.72 1a4a n ASN 10 N -0.08 0.18 -1.07 7.02 6.94 -1.26 -0.63 115.26 126.36 1a4a n ASN 10 Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.44 1a4a n ASN 10 Cb 0.59 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.09 1a4a n ASN 10 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1a4a n ASP 11 N 0.00 2.67 -3.13 0.53 8.00 -1.26 -4.63 116.55 118.72 1a4a n ASP 11 Ca 0.00 -2.33 -0.17 0.00 0.71 0.00 0.00 54.79 53.01 1a4a n ASP 11 Cb 0.00 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.49 1a4a n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4a n ALA 12 N 0.12 0.33 -1.27 2.24 0.00 -1.26 -5.04 120.51 115.62 1a4a n ALA 12 Ca 0.11 -1.31 -0.28 0.00 0.00 0.00 0.00 53.44 51.96 1a4a n ALA 12 Cb 0.64 0.84 0.04 0.00 0.00 0.00 0.00 19.45 20.96 1a4a n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a4a n MET 13 N -0.62 2.36 -4.19 0.00 2.81 -1.26 -4.91 117.12 111.31 1a4a n MET 13 Ca -0.06 -2.61 -0.17 0.00 -1.81 0.00 0.00 57.70 53.04 1a4a n MET 13 Cb 0.38 -2.04 -0.15 0.00 -0.71 0.00 0.00 33.22 30.70 1a4a n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1a4a s GLN 14 N -2.91 0.54 0.37 0.03 -0.21 -1.26 -3.27 119.66 112.94 1a4a s GLN 14 Ca 0.51 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.57 1a4a s GLN 14 Cb 0.39 -0.53 -0.08 0.00 1.00 0.00 0.00 33.01 33.79 1a4a s GLN 14 CO -0.09 0.08 0.77 0.71 -2.12 0.00 0.00 175.29 174.65 1a4a s TYR 15 N 0.08 3.40 -0.00 0.91 2.02 -1.26 -4.16 117.35 118.35 1a4a s TYR 15 Ca -0.01 1.20 0.30 0.00 -0.37 0.00 0.00 57.07 58.20 1a4a s TYR 15 Cb -0.05 -2.54 1.11 0.00 -0.40 0.00 0.00 41.96 40.08 1a4a s TYR 15 CO -0.00 -0.01 1.89 0.38 -1.57 0.00 0.00 175.55 176.24 1a4a h ASP 16 N 1.83 0.00 -3.48 2.29 2.03 -1.45 -3.41 116.42 114.24 1a4a h ASP 16 Ca -0.48 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.17 1a4a h ASP 16 Cb 1.18 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.43 1a4a h ASP 16 CO 0.64 0.03 -0.68 -0.76 -1.03 0.00 0.00 179.24 177.44 1a4a s LEU 17 N -6.25 3.14 0.22 0.15 1.43 -1.26 -4.98 118.68 111.12 1a4a s LEU 17 Ca 0.02 -0.29 0.23 0.00 -1.03 0.00 0.00 54.13 53.06 1a4a s LEU 17 Cb 0.08 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.59 1a4a s LEU 17 CO 0.58 0.00 1.16 0.11 0.23 0.00 0.00 176.35 178.43 1a4a h LYS 18 N 7.96 0.00 -3.28 1.70 1.79 -1.89 -3.45 116.57 119.40 1a4a h LYS 18 Ca -0.39 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.94 1a4a h LYS 18 Cb 1.17 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 1a4a h LYS 18 CO 0.60 0.00 -0.41 -1.83 -1.08 0.00 0.00 179.45 176.73 1a4a s GLU 19 N -3.31 0.51 0.00 3.15 -1.05 -1.26 -0.90 118.70 115.84 1a4a s GLU 19 Ca 0.02 -0.19 0.04 0.00 -0.15 0.00 0.00 54.97 54.68 1a4a s GLU 19 Cb 0.10 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 1a4a s GLU 19 CO 0.76 -0.12 -0.12 -1.64 0.95 0.00 0.00 175.26 175.09 1a4a s MET 20 N -1.08 0.94 -0.12 -4.83 -1.94 0.41 -4.93 119.30 107.75 1a4a s MET 20 Ca -0.12 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1a4a s MET 20 Cb -0.06 -0.92 0.01 0.00 2.01 0.00 0.00 34.83 35.88 1a4a s MET 20 CO 0.02 0.24 -0.20 0.08 -0.01 0.00 0.00 175.02 175.16 1a4a s VAL 21 N -0.43 1.88 -0.27 -6.03 1.01 -1.26 -1.55 120.40 113.75 1a4a s VAL 21 Ca 0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1a4a s VAL 21 Cb -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1a4a s VAL 21 CO -0.00 0.52 0.48 -0.69 0.00 0.00 0.00 175.10 175.41 1a4a s VAL 22 N 0.78 5.09 0.27 2.92 1.01 -0.21 -4.89 120.40 125.38 1a4a s VAL 22 Ca -0.09 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1a4a s VAL 22 Cb -0.16 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1a4a s VAL 22 CO -0.00 0.07 1.30 -0.62 0.00 0.00 0.00 175.10 175.85 1a4a s ASP 23 N 1.59 6.86 0.00 3.32 2.15 -1.26 -0.57 116.67 128.77 1a4a s ASP 23 Ca 0.19 2.54 0.06 0.00 0.43 0.00 0.00 52.55 55.77 1a4a s ASP 23 Cb -0.16 -2.63 0.29 0.00 -0.30 0.00 0.00 42.92 40.12 1a4a s ASP 23 CO 0.10 -0.50 1.11 0.29 -0.17 0.00 0.00 175.17 176.00 1a4a n LYS 24 N 1.63 0.05 0.00 4.34 5.02 -1.26 -1.42 118.16 126.52 1a4a n LYS 24 Ca 0.03 0.30 0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1a4a n LYS 24 Cb 0.42 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.62 1a4a n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a4a n SER 25 N -1.38 0.00 -4.79 4.39 3.41 -1.26 -4.85 113.62 109.14 1a4a n SER 25 Ca 0.02 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.34 1a4a n SER 25 Cb 0.06 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1a4a n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4a n LYS 27 N 2.45 0.68 -4.42 0.00 4.81 -1.26 -4.77 118.16 115.65 1a4a n LYS 27 Ca -0.10 0.17 -0.21 0.00 -0.87 0.00 0.00 58.31 57.29 1a4a n LYS 27 Cb 0.52 -1.61 -0.10 0.00 0.02 0.00 0.00 35.03 33.85 1a4a n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a4a s GLN 28 N -2.54 1.54 -0.06 1.64 -0.21 -1.26 -1.63 119.66 117.14 1a4a s GLN 28 Ca -0.21 -1.77 -0.03 0.00 0.02 0.00 0.00 55.36 53.37 1a4a s GLN 28 Cb 0.08 -1.19 0.03 0.00 1.00 0.00 0.00 33.01 32.92 1a4a s GLN 28 CO 0.74 0.07 0.14 0.12 -2.12 0.00 0.00 175.29 174.23 1a4a s PHE 29 N -2.97 -0.15 -0.10 0.91 5.36 -0.55 -4.82 117.98 115.65 1a4a s PHE 29 Ca 0.29 0.44 -0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1a4a s PHE 29 Cb 0.03 -0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1a4a s PHE 29 CO 0.12 -0.14 -0.08 0.99 -1.46 0.00 0.00 175.22 174.65 1a4a s THR 30 N 0.83 3.57 -0.13 0.12 2.01 -0.53 -1.04 115.64 120.47 1a4a s THR 30 Ca -0.06 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1a4a s THR 30 Cb -0.08 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1a4a s THR 30 CO -0.04 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 1a4a s VAL 31 N -0.33 3.03 -0.34 3.82 1.01 -0.14 -1.17 120.40 126.27 1a4a s VAL 31 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1a4a s VAL 31 Cb -0.13 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1a4a s VAL 31 CO 0.02 0.52 0.12 -1.00 0.00 0.00 0.00 175.10 174.77 1a4a s HIS 32 N 0.39 3.23 -0.20 5.22 3.76 0.16 -1.57 115.29 126.28 1a4a s HIS 32 Ca -0.10 -1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 53.41 1a4a s HIS 32 Cb -0.16 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1a4a s HIS 32 CO 0.05 -0.68 0.38 -1.17 -0.85 0.00 0.00 174.74 172.47 1a4a s LEU 33 N 1.45 4.16 -0.05 0.89 2.96 -0.02 -0.26 118.68 127.82 1a4a s LEU 33 Ca -0.00 0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1a4a s LEU 33 Cb -0.19 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1a4a s LEU 33 CO 0.04 -0.05 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.24 1a4a s LYS 34 N 1.22 2.41 -0.36 1.98 1.02 0.06 -1.56 119.74 124.51 1a4a s LYS 34 Ca 0.18 -0.88 -0.09 0.00 0.02 0.00 0.00 55.97 55.20 1a4a s LYS 34 Cb -0.15 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1a4a s LYS 34 CO 0.08 0.47 0.17 -1.58 -0.92 0.00 0.00 175.35 173.57 1a4a s HIS 35 N -0.39 3.25 -2.65 3.18 5.65 -0.25 -1.13 115.29 122.95 1a4a s HIS 35 Ca 0.03 -1.14 0.24 0.00 0.25 0.00 0.00 55.06 54.44 1a4a s HIS 35 Cb -0.12 -2.38 0.46 0.00 -1.18 0.00 0.00 32.58 29.36 1a4a s HIS 35 CO 0.02 -0.68 1.41 1.33 -0.65 0.00 0.00 174.74 176.17 1a4a n VAL 36 N 4.93 0.22 -1.32 0.89 0.24 0.19 -1.25 118.33 122.24 1a4a n VAL 36 Ca -0.12 -0.54 -0.16 0.00 -2.04 0.00 0.00 64.34 61.47 1a4a n VAL 36 Cb 0.45 1.03 0.12 0.00 -1.47 0.00 0.00 33.84 33.98 1a4a n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a4a n GLY 37 N 1.36 -1.70 0.23 7.63 0.00 -1.25 -4.84 105.19 106.63 1a4a n GLY 37 Ca 0.17 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.58 1a4a n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a4a n LYS 38 N -2.78 1.97 -3.01 1.61 2.85 -1.26 -3.42 118.16 114.11 1a4a n LYS 38 Ca 0.09 -1.44 -0.33 0.00 -1.05 0.00 0.00 58.31 55.58 1a4a n LYS 38 Cb 0.32 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.54 1a4a n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a4a s MET 39 N -0.81 4.08 0.67 -1.58 -1.94 -1.26 -4.79 119.30 113.66 1a4a s MET 39 Ca 0.08 0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 54.78 1a4a s MET 39 Cb 0.05 -2.33 -0.00 0.00 2.01 0.00 0.00 34.83 34.55 1a4a s MET 39 CO 0.06 0.08 1.06 0.00 -0.01 0.00 0.00 175.02 176.21 1a4a s ALA 40 N -2.07 2.70 -0.02 3.03 0.00 -1.26 -0.83 121.76 123.31 1a4a s ALA 40 Ca 0.57 0.16 0.31 0.00 0.00 0.00 0.00 51.96 53.01 1a4a s ALA 40 Cb -0.10 -3.19 1.19 0.00 0.00 0.00 0.00 23.12 21.02 1a4a s ALA 40 CO 0.16 -1.11 1.91 1.57 0.00 0.00 0.00 175.76 178.29 1a4a h LYS 41 N -0.42 0.00 0.00 0.00 2.10 -1.85 -0.39 116.57 116.02 1a4a h LYS 41 Ca -0.45 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.18 1a4a h LYS 41 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1a4a h LYS 41 CO 0.57 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 178.54 1a4a h SER 42 N 0.00 0.00 0.01 7.07 4.64 -1.96 -2.44 113.55 120.87 1a4a h SER 42 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 1a4a h SER 42 Cb 0.58 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.61 1a4a h SER 42 CO 0.00 0.14 -2.39 0.00 -0.87 0.00 0.00 176.83 173.70 1a4a n ALA 43 N -2.34 1.23 -2.86 5.18 0.00 -0.66 -4.82 120.51 116.25 1a4a n ALA 43 Ca -0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.27 1a4a n ALA 43 Cb 0.24 -0.05 0.03 0.00 0.00 0.00 0.00 19.45 19.68 1a4a n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1a4a n MET 44 N -3.89 1.07 -1.71 0.00 0.00 -0.25 -5.03 117.12 107.32 1a4a n MET 44 Ca -0.49 -2.83 -0.32 0.00 -0.00 0.00 0.00 57.70 54.06 1a4a n MET 44 Cb 0.92 -1.17 0.04 0.00 0.00 0.00 0.00 33.22 33.01 1a4a n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1a4a s GLY 45 N -2.25 1.93 0.02 -5.12 0.00 -0.92 -4.73 107.32 96.25 1a4a s GLY 45 Ca 0.30 0.32 -0.03 0.00 0.00 0.00 0.00 44.72 45.31 1a4a s GLY 45 CO -0.04 0.65 0.03 0.30 0.00 0.00 0.00 173.10 174.05 1a4a s HIS 46 N -2.67 0.23 0.15 1.90 3.76 -0.56 -4.83 115.29 113.27 1a4a s HIS 46 Ca 0.62 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1a4a s HIS 46 Cb -0.17 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1a4a s HIS 46 CO 0.46 -0.27 0.10 0.27 -0.85 0.00 0.00 174.74 174.45 1a4a n ASN 47 N 1.23 0.21 -3.73 1.40 0.23 -1.26 -0.86 115.26 112.47 1a4a n ASN 47 Ca -0.22 -1.93 -0.21 0.00 -0.53 0.00 0.00 54.58 51.69 1a4a n ASN 47 Cb 0.56 0.61 -0.18 0.00 -2.08 0.00 0.00 39.78 38.70 1a4a n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1a4a s TRP 48 N -2.43 0.38 -0.06 -2.53 -0.00 -1.26 -4.32 118.94 108.71 1a4a s TRP 48 Ca 0.14 0.03 0.04 0.00 -0.00 0.00 0.00 56.10 56.31 1a4a s TRP 48 Cb 0.01 -0.63 -0.00 0.00 -0.00 0.00 0.00 33.47 32.85 1a4a s TRP 48 CO 0.10 -0.25 -0.19 0.08 -0.00 0.00 0.00 176.95 176.69 1a4a s VAL 49 N 1.95 1.59 -0.17 5.86 1.01 0.08 -1.04 120.40 129.68 1a4a s VAL 49 Ca 0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1a4a s VAL 49 Cb -0.12 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1a4a s VAL 49 CO -0.04 0.45 -0.09 -0.22 0.00 0.00 0.00 175.10 175.20 1a4a s LEU 50 N 0.17 2.78 0.18 3.92 2.96 0.19 -1.35 118.68 127.52 1a4a s LEU 50 Ca -0.08 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1a4a s LEU 50 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1a4a s LEU 50 CO 0.04 0.07 0.12 0.42 -1.32 0.00 0.00 176.35 175.68 1a4a s THR 51 N 0.90 0.04 0.42 3.68 -4.23 -0.38 -1.21 115.64 114.85 1a4a s THR 51 Ca -0.02 -1.93 -0.24 0.00 -1.18 0.00 0.00 61.69 58.31 1a4a s THR 51 Cb -0.15 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 1a4a s THR 51 CO 0.00 -0.17 1.16 -0.54 -0.54 0.00 0.00 174.62 174.53 1a4a s LYS 52 N -4.11 3.98 0.44 3.99 1.02 -1.26 -1.03 119.74 122.77 1a4a s LYS 52 Ca 0.33 1.80 0.24 0.00 0.02 0.00 0.00 55.97 58.36 1a4a s LYS 52 Cb 0.07 -2.60 1.25 0.00 -0.52 0.00 0.00 37.83 36.03 1a4a s LYS 52 CO 0.08 -0.37 1.78 1.49 -0.92 0.00 0.00 175.35 177.41 1a4a h GLU 53 N 2.47 0.26 -0.09 1.68 4.57 -1.89 0.18 114.58 121.75 1a4a h GLU 53 Ca -0.49 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.58 1a4a h GLU 53 Cb 1.24 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1a4a h GLU 53 CO 0.62 0.17 -0.40 0.00 -1.18 0.00 0.00 179.01 178.22 1a4a h ALA 54 N 1.56 1.16 -0.00 2.92 0.00 -1.95 -3.18 119.26 119.77 1a4a h ALA 54 Ca 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a4a h ALA 54 Cb 1.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1a4a h ALA 54 CO -0.22 0.57 -0.17 -0.25 0.00 0.00 0.00 179.25 179.18 1a4a n ASP 55 N -4.04 0.30 0.03 0.00 8.00 0.62 -4.47 116.55 116.98 1a4a n ASP 55 Ca -0.01 -0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 1a4a n ASP 55 Cb 0.46 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 1a4a n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1a4a h LYS 56 N 0.21 -0.60 -0.49 -1.24 3.64 -1.54 -1.51 116.57 115.04 1a4a h LYS 56 Ca 0.00 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1a4a h LYS 56 Cb 0.44 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1a4a h LYS 56 CO 0.00 -0.40 0.15 1.49 -2.27 0.00 0.00 179.45 178.42 1a4a h GLU 57 N -0.63 0.73 -0.29 1.90 4.81 -1.85 -0.65 114.58 118.60 1a4a h GLU 57 Ca 0.02 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1a4a h GLU 57 Cb 0.69 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1a4a h GLU 57 CO -0.38 0.63 -0.01 0.78 -0.73 0.00 0.00 179.01 179.30 1a4a h GLY 58 N 0.89 0.55 0.98 1.92 0.00 -1.78 -1.72 103.07 103.91 1a4a h GLY 58 Ca 0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1a4a h GLY 58 CO -0.01 0.38 0.23 -2.08 0.00 0.00 0.00 176.54 175.06 1a4a h VAL 59 N 0.29 1.21 -0.60 4.60 2.07 -1.04 -1.29 116.25 121.49 1a4a h VAL 59 Ca 0.08 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1a4a h VAL 59 Cb 0.45 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1a4a h VAL 59 CO 0.02 0.25 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1a4a h ALA 60 N 1.07 0.77 -0.08 1.67 0.00 -1.01 0.91 119.26 122.61 1a4a h ALA 60 Ca 0.18 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1a4a h ALA 60 Cb 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a4a h ALA 60 CO -0.02 0.29 -0.77 1.15 0.00 0.00 0.00 179.25 179.90 1a4a h THR 61 N 0.82 1.32 0.00 0.00 2.02 -1.18 -0.82 112.91 115.07 1a4a h THR 61 Ca 0.21 -2.03 -0.07 0.00 0.77 0.00 0.00 66.41 65.29 1a4a h THR 61 Cb 0.05 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1a4a h THR 61 CO -0.03 0.63 -0.32 0.44 0.37 0.00 0.00 175.52 176.60 1a4a h ASP 62 N 0.32 0.00 0.08 4.18 3.32 -1.21 -2.95 116.42 120.17 1a4a h ASP 62 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1a4a h ASP 62 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1a4a h ASP 62 CO 0.16 0.32 -0.04 1.23 -1.72 0.00 0.00 179.24 179.19 1a4a h GLY 63 N 0.97 -0.11 0.64 2.75 0.00 -0.64 -2.76 103.07 103.92 1a4a h GLY 63 Ca -0.00 0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.49 1a4a h GLY 63 CO 0.04 -0.04 0.55 1.98 0.00 0.00 0.00 176.54 179.08 1a4a h MET 64 N -0.24 0.69 0.00 4.80 1.85 -1.00 0.29 114.93 121.33 1a4a h MET 64 Ca -0.01 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1a4a h MET 64 Cb 0.20 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.08 1a4a h MET 64 CO 0.02 0.46 0.00 0.09 -0.40 0.00 0.00 176.91 177.07 1a4a n ASN 65 N -4.54 0.66 0.17 1.39 3.02 -1.06 -3.22 115.26 111.68 1a4a n ASN 65 Ca 0.16 0.65 0.05 0.00 -0.03 0.00 0.00 54.58 55.41 1a4a n ASN 65 Cb 0.41 -0.79 0.15 0.00 -0.61 0.00 0.00 39.78 38.94 1a4a n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4a h ALA 66 N 2.30 0.80 0.00 5.41 0.00 -0.70 -3.50 119.26 123.57 1a4a h ALA 66 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1a4a h ALA 66 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1a4a h ALA 66 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1a4a n GLY 67 N 0.93 0.42 0.29 0.00 0.00 -1.20 -4.25 105.19 101.39 1a4a n GLY 67 Ca 0.02 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 1a4a n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a4a h LEU 68 N 0.00 0.90 -1.91 0.99 5.85 -1.93 -1.15 115.31 118.06 1a4a h LEU 68 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1a4a h LEU 68 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1a4a h LEU 68 CO 0.00 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.89 1a4a h ALA 69 N 1.15 1.00 -0.61 1.25 0.00 -2.02 0.32 119.26 120.34 1a4a h ALA 69 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a4a h ALA 69 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a4a h ALA 69 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1a4a n GLN 70 N -2.94 3.15 -2.88 0.00 1.13 -0.93 -4.93 117.38 109.97 1a4a n GLN 70 Ca -0.01 -2.51 -0.20 0.00 -1.94 0.00 0.00 57.00 52.35 1a4a n GLN 70 Cb 0.20 -1.73 0.01 0.00 0.11 0.00 0.00 30.24 28.83 1a4a n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a4a n ASP 71 N 1.15 -4.88 -4.18 1.08 8.00 0.10 -2.62 116.55 115.21 1a4a n ASP 71 Ca 0.23 -0.15 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 1a4a n ASP 71 Cb 0.73 -4.02 -0.03 0.00 -0.02 0.00 0.00 41.12 37.77 1a4a n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a4a n TYR 72 N -4.00 -1.66 -3.93 1.24 4.01 -0.48 -4.60 117.16 107.75 1a4a n TYR 72 Ca -0.11 0.77 -0.17 0.00 -0.16 0.00 0.00 57.90 58.22 1a4a n TYR 72 Cb 0.61 -3.08 -0.16 0.00 -0.31 0.00 0.00 39.34 36.40 1a4a n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a4a s VAL 73 N -3.53 0.18 0.01 -0.72 1.01 -1.08 -4.11 120.40 112.17 1a4a s VAL 73 Ca 0.51 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1a4a s VAL 73 Cb -0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 1a4a s VAL 73 CO 0.93 0.15 1.62 -0.75 0.00 0.00 0.00 175.10 177.05 1a4a s LYS 74 N 1.04 4.20 0.16 2.72 2.20 -1.26 -4.88 119.74 123.93 1a4a s LYS 74 Ca -0.09 2.23 -0.34 0.00 -0.36 0.00 0.00 55.97 57.41 1a4a s LYS 74 Cb -0.14 -3.75 -0.15 0.00 -1.51 0.00 0.00 37.83 32.29 1a4a s LYS 74 CO -0.02 -0.76 1.42 0.00 -0.36 0.00 0.00 175.35 175.64 1a4a n ALA 75 N 6.17 0.37 -1.50 3.13 0.00 -1.26 -1.63 120.51 125.79 1a4a n ALA 75 Ca 0.16 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 1a4a n ALA 75 Cb 0.42 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 1a4a n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4a n GLY 76 N 2.74 1.15 3.65 0.00 0.00 -1.26 -4.95 105.19 106.52 1a4a n GLY 76 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1a4a n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4a s ASP 77 N -2.80 6.48 0.47 1.61 -1.08 -0.64 -4.86 116.67 115.84 1a4a s ASP 77 Ca 0.00 2.06 0.25 0.00 -0.52 0.00 0.00 52.55 54.33 1a4a s ASP 77 Cb 0.00 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.07 1a4a s ASP 77 CO 0.00 -1.11 1.93 0.71 0.52 0.00 0.00 175.17 177.22 1a4a h THR 78 N 5.86 0.62 0.00 1.71 1.35 -1.92 -2.62 112.91 117.91 1a4a h THR 78 Ca -0.38 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1a4a h THR 78 Cb 1.18 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1a4a h THR 78 CO 0.97 0.19 0.00 0.54 -0.25 0.00 0.00 175.52 176.97 1a4a n ARG 79 N -3.55 0.09 -3.27 4.72 1.74 -1.26 -4.62 116.66 110.51 1a4a n ARG 79 Ca -0.01 0.25 -0.43 0.00 -0.77 0.00 0.00 57.85 56.89 1a4a n ARG 79 Cb 0.35 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.06 1a4a n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4a s VAL 80 N -3.10 5.03 0.08 1.55 1.01 -0.99 -4.44 120.40 119.54 1a4a s VAL 80 Ca 0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1a4a s VAL 80 Cb 0.12 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1a4a s VAL 80 CO 0.39 -0.44 1.48 0.40 0.00 0.00 0.00 175.10 176.94 1a4a h ILE 81 N 5.75 1.28 -1.97 2.22 2.04 -1.42 -3.47 117.51 121.94 1a4a h ILE 81 Ca -0.26 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1a4a h ILE 81 Cb 1.11 1.44 -0.19 0.00 -0.74 0.00 0.00 36.82 38.44 1a4a h ILE 81 CO 0.81 0.34 0.28 0.00 0.00 0.00 0.00 178.15 179.58 1a4a s ALA 82 N -4.78 -1.80 0.13 1.87 0.00 -1.22 -4.99 121.76 110.97 1a4a s ALA 82 Ca -0.13 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 1a4a s ALA 82 Cb 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1a4a s ALA 82 CO 0.77 -0.39 0.37 -3.38 0.00 0.00 0.00 175.76 173.13 1a4a s HIS 83 N -1.40 -0.10 0.52 0.00 -3.43 -1.26 -0.64 115.29 108.98 1a4a s HIS 83 Ca -0.08 -0.24 0.08 0.00 -0.80 0.00 0.00 55.06 54.02 1a4a s HIS 83 Cb -0.00 0.20 0.09 0.00 -1.43 0.00 0.00 32.58 31.44 1a4a s HIS 83 CO 0.06 -0.70 0.71 0.25 -2.00 0.00 0.00 174.74 173.06 1a4a n THR 84 N -0.21 0.00 -2.09 -5.38 -2.24 -0.21 -4.85 114.28 99.29 1a4a n THR 84 Ca -0.15 -1.68 -0.28 0.00 -2.27 0.00 0.00 64.05 59.67 1a4a n THR 84 Cb 0.63 -0.60 0.06 0.00 -2.10 0.00 0.00 70.33 68.32 1a4a n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a4a s LYS 85 N -4.33 2.53 -0.10 -0.78 1.02 -1.26 -4.65 119.74 112.17 1a4a s LYS 85 Ca 0.54 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.35 1a4a s LYS 85 Cb -0.04 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1a4a s LYS 85 CO 0.34 -1.11 0.93 0.08 -0.92 0.00 0.00 175.35 174.66 1a4a s VAL 86 N -3.28 4.85 0.30 3.17 1.01 -1.26 -4.44 120.40 120.74 1a4a s VAL 86 Ca 0.58 1.88 0.11 0.00 0.00 0.00 0.00 61.98 64.56 1a4a s VAL 86 Cb -0.11 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1a4a s VAL 86 CO 0.48 0.06 -0.17 0.27 0.00 0.00 0.00 175.10 175.74 1a4a s ILE 87 N 1.78 2.44 0.46 2.22 -4.36 -0.04 -4.90 121.20 118.81 1a4a s ILE 87 Ca 0.45 -2.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1a4a s ILE 87 Cb -0.18 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1a4a s ILE 87 CO 0.18 -0.35 0.04 0.61 0.24 0.00 0.00 174.94 175.66 1a4a n GLY 88 N -0.67 3.54 3.66 6.27 0.00 -1.26 -1.50 105.19 115.23 1a4a n GLY 88 Ca -0.05 -2.35 -0.44 0.00 0.00 0.00 0.00 46.02 43.18 1a4a n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4a n GLY 89 N -0.52 0.40 2.24 -0.02 0.00 -0.01 -2.06 105.19 105.22 1a4a n GLY 89 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1a4a n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4a n GLY 90 N 1.16 0.49 3.73 -0.02 0.00 -0.38 -4.93 105.19 105.23 1a4a n GLY 90 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1a4a n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4a s GLU 91 N -0.24 2.25 0.11 1.61 2.02 -0.87 -4.97 118.70 118.60 1a4a s GLU 91 Ca 0.00 -1.75 -0.06 0.00 0.02 0.00 0.00 54.97 53.17 1a4a s GLU 91 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1a4a s GLU 91 CO 0.00 -0.04 0.16 -1.54 0.02 0.00 0.00 175.26 173.86 1a4a s SER 92 N -3.88 0.19 0.02 -0.19 1.04 -1.26 -1.10 113.70 108.53 1a4a s SER 92 Ca 0.40 -0.86 -0.15 0.00 0.48 0.00 0.00 55.95 55.82 1a4a s SER 92 Cb 0.02 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1a4a s SER 92 CO 0.22 -0.75 0.34 -0.62 0.98 0.00 0.00 173.24 173.40 1a4a s ASP 93 N -2.93 -0.19 0.14 7.02 2.15 -0.60 -5.00 116.67 117.26 1a4a s ASP 93 Ca 0.12 -0.05 0.08 0.00 0.43 0.00 0.00 52.55 53.12 1a4a s ASP 93 Cb 0.05 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 1a4a s ASP 93 CO -0.06 -0.57 -0.18 -0.44 -0.17 0.00 0.00 175.17 173.75 1a4a s SER 94 N -1.81 2.47 -0.04 -0.34 0.01 -1.26 -0.84 113.70 111.89 1a4a s SER 94 Ca -0.08 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1a4a s SER 94 Cb -0.02 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1a4a s SER 94 CO -0.01 -0.04 0.11 0.54 0.41 0.00 0.00 173.24 174.26 1a4a s VAL 95 N -1.85 -0.01 -0.04 3.43 0.11 -0.61 -4.95 120.40 116.49 1a4a s VAL 95 Ca 0.12 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 1a4a s VAL 95 Cb -0.07 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1a4a s VAL 95 CO 0.05 0.01 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.79 1a4a s THR 96 N 0.25 2.98 0.15 5.04 2.01 -1.26 -0.97 115.64 123.85 1a4a s THR 96 Ca -0.02 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1a4a s THR 96 Cb -0.03 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1a4a s THR 96 CO -0.01 0.56 0.07 0.72 -0.69 0.00 0.00 174.62 175.27 1a4a s PHE 97 N -0.75 0.96 -0.16 4.92 -0.71 -0.21 -4.96 117.98 117.07 1a4a s PHE 97 Ca 0.12 -1.26 -0.29 0.00 -1.04 0.00 0.00 56.93 54.46 1a4a s PHE 97 Cb -0.11 -0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1a4a s PHE 97 CO 0.01 -0.53 1.19 -0.51 -1.34 0.00 0.00 175.22 174.04 1a4a s ASP 98 N -3.09 7.01 0.57 1.98 1.11 -1.26 -1.49 116.67 121.51 1a4a s ASP 98 Ca 0.28 1.64 0.33 0.00 0.18 0.00 0.00 52.55 54.97 1a4a s ASP 98 Cb 0.07 -2.54 1.75 0.00 1.07 0.00 0.00 42.92 43.27 1a4a s ASP 98 CO 0.04 -0.70 2.17 0.58 1.18 0.00 0.00 175.17 178.45 1a4a h VAL 99 N 5.38 0.36 0.00 -1.27 2.07 -1.61 -1.80 116.25 119.39 1a4a h VAL 99 Ca -0.26 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1a4a h VAL 99 Cb 1.11 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1a4a h VAL 99 CO 0.95 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 177.05 1a4a n SER 100 N -3.49 0.31 0.09 0.57 3.41 -1.26 -0.88 113.62 112.37 1a4a n SER 100 Ca -0.02 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1a4a n SER 100 Cb 0.17 -0.67 0.45 0.00 -0.26 0.00 0.00 64.21 63.90 1a4a n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4a n LYS 101 N -1.89 0.21 -3.94 4.33 5.02 -0.68 -4.81 118.16 116.39 1a4a n LYS 101 Ca 0.00 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.18 1a4a n LYS 101 Cb 0.07 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 1a4a n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a4a s LEU 102 N -4.25 4.26 -0.19 -0.35 1.43 -0.06 -5.08 118.68 114.44 1a4a s LEU 102 Ca 0.10 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1a4a s LEU 102 Cb 0.13 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1a4a s LEU 102 CO 0.55 0.23 0.04 -0.89 0.23 0.00 0.00 176.35 176.51 1a4a s THR 103 N -1.37 4.51 0.34 5.49 2.01 -1.26 -5.05 115.64 120.32 1a4a s THR 103 Ca 0.29 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1a4a s THR 103 Cb -0.13 -3.03 -0.12 0.00 0.01 0.00 0.00 72.50 69.23 1a4a s THR 103 CO 0.21 0.45 1.43 -2.65 -0.69 0.00 0.00 174.62 173.37 1a4a n PRO 104 N 3.78 2.46 0.00 4.92 -0.02 -1.26 -1.98 135.00 142.90 1a4a n PRO 104 Ca -0.17 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1a4a n PRO 104 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1a4a n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4a n GLY 105 N 0.93 2.71 3.83 -1.23 0.00 -1.26 -5.02 105.19 105.15 1a4a n GLY 105 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1a4a n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a4a s GLU 106 N -0.30 4.06 -0.14 1.61 2.12 -0.84 -5.07 118.70 120.13 1a4a s GLU 106 Ca 0.00 0.59 -0.08 0.00 0.36 0.00 0.00 54.97 55.85 1a4a s GLU 106 Cb 0.00 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1a4a s GLU 106 CO 0.00 0.48 0.13 0.00 -0.54 0.00 0.00 175.26 175.33 1a4a s ALA 107 N -1.44 3.80 0.26 6.30 0.00 -1.26 -4.45 121.76 124.96 1a4a s ALA 107 Ca 0.38 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1a4a s ALA 107 Cb -0.16 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1a4a s ALA 107 CO 0.19 0.48 -0.16 0.71 0.00 0.00 0.00 175.76 176.98 1a4a s TYR 108 N -0.60 2.39 -0.15 0.00 1.51 0.91 -4.35 117.35 117.05 1a4a s TYR 108 Ca 0.13 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1a4a s TYR 108 Cb -0.12 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1a4a s TYR 108 CO 0.02 0.66 0.09 0.00 -1.11 0.00 0.00 175.55 175.21 1a4a s ALA 109 N -2.31 3.56 0.04 3.71 0.00 -0.20 -1.17 121.76 125.40 1a4a s ALA 109 Ca 0.29 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1a4a s ALA 109 Cb -0.06 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1a4a s ALA 109 CO 0.15 0.36 -0.20 1.52 0.00 0.00 0.00 175.76 177.59 1a4a s TYR 110 N -0.20 2.50 0.29 0.00 -0.85 -0.72 -1.25 117.35 117.12 1a4a s TYR 110 Ca 0.09 -0.29 -0.21 0.00 -0.52 0.00 0.00 57.07 56.14 1a4a s TYR 110 Cb -0.12 -1.45 0.02 0.00 0.38 0.00 0.00 41.96 40.80 1a4a s TYR 110 CO 0.01 0.23 0.72 -0.59 -1.52 0.00 0.00 175.55 174.40 1a4a s PHE 111 N -0.90 -0.16 -0.24 -3.49 -0.71 -0.46 -1.00 117.98 111.03 1a4a s PHE 111 Ca 0.14 -0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 55.62 1a4a s PHE 111 Cb -0.10 0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 42.38 1a4a s PHE 111 CO 0.04 -1.26 0.13 0.00 -1.34 0.00 0.00 175.22 172.79 1a4a n SER 113 N 4.37 3.24 -4.75 0.00 3.41 -1.26 -2.38 113.62 116.24 1a4a n SER 113 Ca -0.15 -2.05 -0.41 0.00 -0.26 0.00 0.00 58.87 55.99 1a4a n SER 113 Cb 0.52 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1a4a n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a4a s PHE 114 N -1.30 2.86 -0.10 7.33 5.36 -1.26 -4.36 117.98 126.51 1a4a s PHE 114 Ca 0.39 0.96 -0.41 0.00 -0.96 0.00 0.00 56.93 56.92 1a4a s PHE 114 Cb 0.21 -3.94 -0.19 0.00 -0.34 0.00 0.00 43.02 38.76 1a4a s PHE 114 CO 0.26 -3.04 1.27 -2.30 -1.46 0.00 0.00 175.22 169.95 1a4a n PRO 115 N 1.98 0.30 -0.96 10.12 -0.02 -1.26 -0.93 135.00 144.23 1a4a n PRO 115 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1a4a n PRO 115 Cb 0.39 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1a4a n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4a n GLY 116 N 2.38 0.96 0.05 -1.23 0.00 -1.26 -4.89 105.19 101.20 1a4a n GLY 116 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1a4a n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a4a n HIS 117 N -2.00 0.28 0.19 1.61 8.25 -0.10 -4.66 115.22 118.79 1a4a n HIS 117 Ca 0.00 0.09 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 1a4a n HIS 117 Cb 0.00 -0.70 0.63 0.00 1.12 0.00 0.00 29.99 31.03 1a4a n HIS 117 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1a4a h TRP 118 N 0.00 0.06 0.00 4.41 5.08 -1.64 -0.75 115.95 123.10 1a4a h TRP 118 Ca -0.08 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.78 1a4a h TRP 118 Cb 1.19 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.31 1a4a h TRP 118 CO 0.00 0.03 -0.66 0.00 -1.28 0.00 0.00 178.44 176.54 1a4a h ALA 119 N 1.93 0.67 0.00 0.11 0.00 -1.88 -3.38 119.26 116.71 1a4a h ALA 119 Ca 0.06 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 1a4a h ALA 119 Cb 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1a4a h ALA 119 CO -0.01 0.65 -2.05 -0.12 0.00 0.00 0.00 179.25 177.72 1a4a n MET 120 N -3.15 1.24 -3.16 0.00 1.56 -1.00 -4.80 117.12 107.80 1a4a n MET 120 Ca 0.00 0.03 -0.45 0.00 -0.27 0.00 0.00 57.70 57.01 1a4a n MET 120 Cb 0.74 -1.39 -0.01 0.00 2.15 0.00 0.00 33.22 34.72 1a4a n MET 120 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1a4a s HIS 121 N -2.37 3.68 0.26 1.12 5.04 -0.32 -4.72 115.29 117.98 1a4a s HIS 121 Ca -0.13 -2.03 -0.16 0.00 -1.54 0.00 0.00 55.06 51.20 1a4a s HIS 121 Cb 0.05 -4.03 0.01 0.00 0.04 0.00 0.00 32.58 28.64 1a4a s HIS 121 CO 0.57 -1.18 0.57 -1.59 -2.34 0.00 0.00 174.74 170.77 1a4a s LYS 122 N 0.72 1.64 0.10 2.88 -2.85 -1.26 -0.99 119.74 119.98 1a4a s LYS 122 Ca 0.29 -1.14 -0.17 0.00 -1.00 0.00 0.00 55.97 53.95 1a4a s LYS 122 Cb -0.07 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.28 1a4a s LYS 122 CO -0.07 -0.71 0.82 0.41 0.10 0.00 0.00 175.35 175.89 1a4a n GLY 123 N -0.41 0.66 3.33 0.59 0.00 -0.17 -4.76 105.19 104.43 1a4a n GLY 123 Ca -0.03 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1a4a n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4a s THR 124 N -2.15 2.33 -0.04 2.61 2.01 -0.08 -1.76 115.64 118.56 1a4a s THR 124 Ca 0.18 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1a4a s THR 124 Cb -0.02 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1a4a s THR 124 CO 0.03 0.57 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.07 1a4a s LEU 125 N -0.37 2.04 0.06 4.42 0.20 -0.31 -0.44 118.68 124.28 1a4a s LEU 125 Ca 0.03 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.30 1a4a s LEU 125 Cb -0.12 -1.28 -0.00 0.00 -0.43 0.00 0.00 46.19 44.35 1a4a s LEU 125 CO 0.02 0.26 0.16 -1.59 -0.29 0.00 0.00 176.35 174.91 1a4a s LYS 126 N -0.30 0.74 0.48 1.98 -2.85 -0.59 -0.07 119.74 119.13 1a4a s LYS 126 Ca 0.02 -0.83 -0.20 0.00 -1.00 0.00 0.00 55.97 53.95 1a4a s LYS 126 Cb -0.12 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1a4a s LYS 126 CO 0.02 -0.22 1.03 -0.51 0.10 0.00 0.00 175.35 175.77 1a4a s LEU 127 N -2.49 3.86 0.23 2.77 1.02 -1.26 -1.04 118.68 121.77 1a4a s LEU 127 Ca 0.00 1.92 -0.31 0.00 0.02 0.00 0.00 54.13 55.76 1a4a s LEU 127 Cb 0.02 -4.55 -0.13 0.00 0.02 0.00 0.00 46.19 41.55 1a4a s LEU 127 CO -0.08 -0.75 1.44 -1.54 0.02 0.00 0.00 176.35 175.44 1a4a n SER 128 N -0.92 2.86 0.00 2.29 3.41 0.27 -4.77 113.62 116.76 1a4a n SER 128 Ca 0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1a4a n SER 128 Cb 0.52 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1a4a n SER 128 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68