#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4a n GLN 2 N 0.00 0.00 -1.95 0.00 -0.00 -1.26 -3.79 117.38 110.38 1a4a n GLN 2 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 1a4a n GLN 2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.23 1a4a n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a4a s GLU 4 N -2.71 0.90 -0.01 0.00 2.02 -1.25 -1.61 118.70 116.04 1a4a s GLU 4 Ca 0.52 -0.47 -0.21 0.00 0.02 0.00 0.00 54.97 54.83 1a4a s GLU 4 Cb 0.31 0.40 0.04 0.00 0.10 0.00 0.00 34.13 34.98 1a4a s GLU 4 CO -0.22 -0.31 0.45 0.00 0.02 0.00 0.00 175.26 175.20 1a4a s ALA 5 N -2.71 -1.16 -0.02 5.21 0.00 -0.29 0.13 121.76 122.92 1a4a s ALA 5 Ca -0.04 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.64 1a4a s ALA 5 Cb -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1a4a s ALA 5 CO -0.04 -0.34 -0.26 0.99 0.00 0.00 0.00 175.76 176.11 1a4a s THR 6 N -1.55 2.03 0.00 0.00 2.01 -1.26 -0.72 115.64 116.15 1a4a s THR 6 Ca -0.11 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1a4a s THR 6 Cb -0.03 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1a4a s THR 6 CO 0.05 0.57 -0.02 -0.51 -0.69 0.00 0.00 174.62 174.02 1a4a s ILE 7 N -0.58 0.11 0.03 1.82 2.07 0.06 -4.93 121.20 119.78 1a4a s ILE 7 Ca 0.09 -0.18 0.09 0.00 -1.41 0.00 0.00 60.65 59.24 1a4a s ILE 7 Cb -0.10 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 1a4a s ILE 7 CO -0.01 -0.04 -0.26 -1.61 -1.91 0.00 0.00 174.94 171.11 1a4a s GLU 8 N -0.23 1.83 0.02 3.50 2.02 -1.26 -0.79 118.70 123.79 1a4a s GLU 8 Ca -0.02 -1.06 0.06 0.00 0.02 0.00 0.00 54.97 53.98 1a4a s GLU 8 Cb -0.02 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1a4a s GLU 8 CO -0.00 0.51 -0.19 -1.54 0.02 0.00 0.00 175.26 174.06 1a4a s SER 9 N -1.10 2.28 0.00 -0.19 1.04 -0.09 -1.04 113.70 114.60 1a4a s SER 9 Ca 0.11 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1a4a s SER 9 Cb -0.10 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1a4a s SER 9 CO 0.01 0.18 0.00 -0.46 0.98 0.00 0.00 173.24 173.95 1a4a n ASN 10 N 2.20 1.26 -0.94 7.02 6.94 -1.25 -0.20 115.26 130.29 1a4a n ASN 10 Ca -0.16 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.41 1a4a n ASN 10 Cb 0.53 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.06 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 2.42 -4.54 0.53 8.00 -1.26 -4.60 116.55 117.09 1a4a n ASP 11 Ca 0.00 -2.28 -0.25 0.00 0.71 0.00 0.00 54.79 52.97 1a4a n ASP 11 Cb 0.00 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.44 1a4a n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a4a s ALA 12 N -1.41 2.85 -1.35 2.24 0.00 -1.26 -5.04 121.76 117.79 1a4a s ALA 12 Ca 0.15 -2.16 -0.09 0.00 0.00 0.00 0.00 51.96 49.86 1a4a s ALA 12 Cb 0.12 0.24 0.11 0.00 0.00 0.00 0.00 23.12 23.59 1a4a s ALA 12 CO 0.04 -0.12 2.15 -1.33 0.00 0.00 0.00 175.76 176.51 1a4a n MET 13 N -0.82 3.76 -4.58 0.00 0.00 -1.26 -4.88 117.12 109.33 1a4a n MET 13 Ca -0.04 -3.26 -0.22 0.00 0.00 0.00 0.00 57.70 54.17 1a4a n MET 13 Cb 0.66 -2.89 -0.15 0.00 0.00 0.00 0.00 33.22 30.83 1a4a n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1a4a s GLN 14 N 0.56 1.22 0.15 0.03 -0.21 -1.26 -3.62 119.66 116.53 1a4a s GLN 14 Ca 0.47 -0.44 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 1a4a s GLN 14 Cb 0.13 -1.12 -0.05 0.00 1.00 0.00 0.00 33.01 32.97 1a4a s GLN 14 CO -0.04 0.20 0.37 0.71 -2.12 0.00 0.00 175.29 174.41 1a4a s TYR 15 N 0.00 3.48 -0.32 0.91 2.02 -1.26 -3.93 117.35 118.24 1a4a s TYR 15 Ca -0.01 0.51 0.27 0.00 -0.37 0.00 0.00 57.07 57.48 1a4a s TYR 15 Cb -0.08 -1.97 0.88 0.00 -0.40 0.00 0.00 41.96 40.39 1a4a s TYR 15 CO 0.01 0.43 1.78 0.38 -1.57 0.00 0.00 175.55 176.58 1a4a h ASP 16 N 2.74 0.00 -3.36 2.29 2.03 -1.47 -3.42 116.42 115.22 1a4a h ASP 16 Ca -0.46 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.19 1a4a h ASP 16 Cb 1.17 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.41 1a4a h ASP 16 CO 0.72 0.00 -0.71 -0.76 -1.03 0.00 0.00 179.24 177.46 1a4a s LEU 17 N -5.57 2.99 0.01 0.15 1.43 -1.26 -4.97 118.68 111.46 1a4a s LEU 17 Ca 0.05 -0.28 0.22 0.00 -1.03 0.00 0.00 54.13 53.09 1a4a s LEU 17 Cb 0.08 -1.73 -0.15 0.00 0.03 0.00 0.00 46.19 44.42 1a4a s LEU 17 CO 0.56 0.08 0.85 0.29 0.23 0.00 0.00 176.35 178.37 1a4a n LYS 18 N 4.09 0.26 -3.82 1.70 4.01 -1.26 -4.85 118.16 118.29 1a4a n LYS 18 Ca -0.18 -0.05 -0.12 0.00 -0.51 0.00 0.00 58.31 57.45 1a4a n LYS 18 Cb 0.52 -1.54 -0.13 0.00 -0.51 0.00 0.00 35.03 33.38 1a4a n LYS 18 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1a4a s GLU 19 N -3.20 0.16 -0.03 1.97 2.12 -1.26 -1.26 118.70 117.21 1a4a s GLU 19 Ca 0.03 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.60 1a4a s GLU 19 Cb 0.15 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1a4a s GLU 19 CO 0.85 -0.03 -0.16 -1.64 -0.54 0.00 0.00 175.26 173.75 1a4a s MET 20 N 0.13 1.44 -0.13 4.30 -1.94 0.00 -4.95 119.30 118.15 1a4a s MET 20 Ca -0.00 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1a4a s MET 20 Cb -0.01 -1.32 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 1a4a s MET 20 CO -0.00 0.28 -0.16 0.08 -0.01 0.00 0.00 175.02 175.21 1a4a s VAL 21 N -0.15 2.73 -0.25 -6.03 1.01 -1.26 -1.41 120.40 115.04 1a4a s VAL 21 Ca 0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1a4a s VAL 21 Cb -0.08 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1a4a s VAL 21 CO 0.01 0.53 0.22 -0.69 0.00 0.00 0.00 175.10 175.16 1a4a s VAL 22 N 0.46 5.31 0.34 2.92 1.01 0.34 -4.95 120.40 125.83 1a4a s VAL 22 Ca -0.11 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1a4a s VAL 22 Cb -0.16 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1a4a s VAL 22 CO 0.05 0.29 1.19 -0.62 0.00 0.00 0.00 175.10 176.01 1a4a s ASP 23 N 1.30 6.82 0.00 3.32 2.15 -1.26 -1.48 116.67 127.52 1a4a s ASP 23 Ca 0.10 2.42 0.09 0.00 0.43 0.00 0.00 52.55 55.59 1a4a s ASP 23 Cb -0.15 -2.63 0.44 0.00 -0.30 0.00 0.00 42.92 40.28 1a4a s ASP 23 CO 0.07 -0.47 1.23 0.29 -0.17 0.00 0.00 175.17 176.13 1a4a n LYS 24 N 0.62 0.07 0.00 4.34 5.02 -0.33 -1.24 118.16 126.64 1a4a n LYS 24 Ca 0.01 0.26 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 1a4a n LYS 24 Cb 0.45 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.39 0.48 -4.69 4.39 3.41 -1.26 -4.88 113.62 109.68 1a4a n SER 25 Ca 0.03 -0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 1a4a n SER 25 Cb 0.09 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1a4a n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4a h LYS 27 N 7.13 0.17 -6.49 0.00 1.63 -1.90 -3.43 116.57 113.68 1a4a h LYS 27 Ca -0.34 -0.28 -0.63 0.00 -0.85 0.00 0.00 60.65 58.55 1a4a h LYS 27 Cb 1.16 0.11 -0.19 0.00 -0.60 0.00 0.00 32.23 32.71 1a4a h LYS 27 CO 0.80 0.94 -0.82 -0.65 -3.45 0.00 0.00 179.45 176.27 1a4a s GLN 28 N -2.58 1.44 0.00 1.90 -0.21 -1.26 -0.88 119.66 118.08 1a4a s GLN 28 Ca -0.15 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.76 1a4a s GLN 28 Cb 0.07 -1.73 -0.00 0.00 1.00 0.00 0.00 33.01 32.35 1a4a s GLN 28 CO 0.80 0.38 -0.01 0.12 -2.12 0.00 0.00 175.29 174.45 1a4a s PHE 29 N -1.66 0.13 -0.09 0.91 5.36 -0.41 -4.81 117.98 117.40 1a4a s PHE 29 Ca 0.19 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1a4a s PHE 29 Cb -0.08 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 1a4a s PHE 29 CO 0.09 -0.01 -0.23 0.99 -1.46 0.00 0.00 175.22 174.59 1a4a s THR 30 N -0.11 1.98 -0.16 0.12 2.01 -0.64 -0.56 115.64 118.28 1a4a s THR 30 Ca -0.00 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1a4a s THR 30 Cb -0.01 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1a4a s THR 30 CO -0.00 0.54 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 1a4a s VAL 31 N 0.34 3.65 -0.33 3.82 1.01 -0.21 -1.14 120.40 127.55 1a4a s VAL 31 Ca -0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1a4a s VAL 31 Cb -0.18 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1a4a s VAL 31 CO 0.08 0.49 0.14 -1.00 0.00 0.00 0.00 175.10 174.81 1a4a s HIS 32 N 0.53 3.20 -0.15 5.22 3.76 0.10 -2.22 115.29 125.73 1a4a s HIS 32 Ca -0.04 -0.90 -0.16 0.00 -0.15 0.00 0.00 55.06 53.81 1a4a s HIS 32 Cb -0.15 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1a4a s HIS 32 CO 0.03 -0.58 0.37 -1.17 -0.85 0.00 0.00 174.74 172.55 1a4a s LEU 33 N 1.54 4.25 -0.01 0.89 2.96 0.51 -0.76 118.68 128.05 1a4a s LEU 33 Ca 0.03 0.63 0.07 0.00 -0.22 0.00 0.00 54.13 54.64 1a4a s LEU 33 Cb -0.18 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1a4a s LEU 33 CO 0.05 0.05 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.35 1a4a s LYS 34 N 0.58 1.89 -0.40 1.98 1.02 0.03 -1.15 119.74 123.69 1a4a s LYS 34 Ca 0.20 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 1a4a s LYS 34 Cb -0.14 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 1a4a s LYS 34 CO 0.07 0.50 0.23 -1.58 -0.92 0.00 0.00 175.35 173.65 1a4a s HIS 35 N -0.58 3.32 -2.42 3.18 5.65 -0.14 -0.91 115.29 123.38 1a4a s HIS 35 Ca 0.09 -1.48 0.24 0.00 0.25 0.00 0.00 55.06 54.16 1a4a s HIS 35 Cb -0.09 -2.80 0.83 0.00 -1.18 0.00 0.00 32.58 29.34 1a4a s HIS 35 CO -0.01 -0.81 1.61 1.33 -0.65 0.00 0.00 174.74 176.21 1a4a n VAL 36 N 4.90 0.12 -1.07 0.89 0.24 0.72 -1.13 118.33 123.01 1a4a n VAL 36 Ca -0.10 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.76 1a4a n VAL 36 Cb 0.43 0.52 0.08 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.18 -1.80 0.02 7.63 0.00 -1.23 -4.80 105.19 106.19 1a4a n GLY 37 Ca 0.17 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.29 2.30 -3.70 1.61 2.85 -1.26 -2.29 118.16 115.38 1a4a n LYS 38 Ca 0.06 -1.43 -0.28 0.00 -1.05 0.00 0.00 58.31 55.61 1a4a n LYS 38 Cb 0.21 -0.95 -0.03 0.00 -0.65 0.00 0.00 35.03 33.60 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 -0.99 3.53 0.79 -1.58 -1.94 -1.26 -4.77 119.30 113.08 1a4a s MET 39 Ca 0.03 -0.32 -0.12 0.00 -1.71 0.00 0.00 55.69 53.57 1a4a s MET 39 Cb 0.03 -2.84 0.07 0.00 2.01 0.00 0.00 34.83 34.10 1a4a s MET 39 CO 0.00 0.41 1.14 0.00 -0.01 0.00 0.00 175.02 176.57 1a4a s ALA 40 N -1.84 1.99 0.25 3.03 0.00 -1.26 -0.61 121.76 123.31 1a4a s ALA 40 Ca 0.39 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.00 1a4a s ALA 40 Cb -0.11 -3.39 0.27 0.00 0.00 0.00 0.00 23.12 19.89 1a4a s ALA 40 CO 0.29 -2.06 1.56 -0.22 0.00 0.00 0.00 175.76 175.32 1a4a h LYS 41 N -1.00 0.07 0.00 0.00 3.64 -1.87 0.62 116.57 118.02 1a4a h LYS 41 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1a4a h LYS 41 Cb 1.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1a4a h LYS 41 CO 0.48 0.70 0.00 0.66 -2.27 0.00 0.00 179.45 179.02 1a4a h SER 42 N 0.05 0.00 0.11 4.20 4.64 -1.96 -1.34 113.55 119.25 1a4a h SER 42 Ca -0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1a4a h SER 42 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1a4a h SER 42 CO 0.09 0.00 -1.55 0.00 -0.87 0.00 0.00 176.83 174.50 1a4a h ALA 43 N 2.12 0.24 -0.25 5.18 0.00 -1.75 -3.44 119.26 121.36 1a4a h ALA 43 Ca 0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 54.91 53.51 1a4a h ALA 43 Cb 0.73 0.55 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 1a4a h ALA 43 CO 0.00 0.93 -0.60 -0.12 0.00 0.00 0.00 179.25 179.46 1a4a n MET 44 N -3.86 1.33 -1.17 0.00 0.00 0.14 -5.00 117.12 108.57 1a4a n MET 44 Ca -0.27 -2.16 -0.31 0.00 -0.00 0.00 0.00 57.70 54.96 1a4a n MET 44 Cb 0.92 -0.36 0.10 0.00 0.00 0.00 0.00 33.22 33.88 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 -1.95 1.67 0.04 -5.12 0.00 -0.51 -4.80 107.32 96.66 1a4a s GLY 45 Ca 0.20 0.30 -0.08 0.00 0.00 0.00 0.00 44.72 45.14 1a4a s GLY 45 CO -0.07 0.67 0.15 0.30 0.00 0.00 0.00 173.10 174.15 1a4a s HIS 46 N -2.87 0.12 0.00 1.90 3.76 -0.84 -4.82 115.29 112.55 1a4a s HIS 46 Ca 0.62 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1a4a s HIS 46 Cb -0.18 -0.08 -0.00 0.00 1.11 0.00 0.00 32.58 33.43 1a4a s HIS 46 CO 0.56 -0.41 0.00 0.27 -0.85 0.00 0.00 174.74 174.32 1a4a n ASN 47 N 0.66 0.02 -3.71 1.40 0.23 -1.26 -1.40 115.26 111.19 1a4a n ASN 47 Ca -0.19 -1.02 -0.16 0.00 -0.53 0.00 0.00 54.58 52.68 1a4a n ASN 47 Cb 0.59 0.02 -0.15 0.00 -2.08 0.00 0.00 39.78 38.15 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 -2.00 -0.12 -0.05 -2.53 -0.00 -1.26 -4.42 118.94 108.56 1a4a s TRP 48 Ca 0.00 0.45 0.03 0.00 -0.00 0.00 0.00 56.10 56.58 1a4a s TRP 48 Cb 0.00 -0.21 0.01 0.00 -0.00 0.00 0.00 33.47 33.27 1a4a s TRP 48 CO 0.00 -0.19 -0.12 0.08 -0.00 0.00 0.00 176.95 176.72 1a4a s VAL 49 N 1.65 1.07 -0.15 5.86 1.01 0.19 -1.24 120.40 128.78 1a4a s VAL 49 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1a4a s VAL 49 Cb -0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1a4a s VAL 49 CO -0.05 0.33 -0.11 -0.22 0.00 0.00 0.00 175.10 175.06 1a4a s LEU 50 N 0.50 2.82 0.20 3.92 2.96 -0.39 -0.87 118.68 127.82 1a4a s LEU 50 Ca -0.11 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1a4a s LEU 50 Cb -0.14 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1a4a s LEU 50 CO 0.03 0.14 0.24 0.42 -1.32 0.00 0.00 176.35 175.86 1a4a s THR 51 N 0.50 0.02 0.44 3.68 -4.23 -0.48 -1.38 115.64 114.19 1a4a s THR 51 Ca -0.08 -1.73 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1a4a s THR 51 Cb -0.15 -2.27 -0.08 0.00 1.34 0.00 0.00 72.50 71.34 1a4a s THR 51 CO 0.04 -0.09 1.27 -0.54 -0.54 0.00 0.00 174.62 174.76 1a4a s LYS 52 N -4.08 3.81 0.58 3.99 1.02 -1.26 -1.17 119.74 122.63 1a4a s LYS 52 Ca 0.30 2.07 0.30 0.00 0.02 0.00 0.00 55.97 58.65 1a4a s LYS 52 Cb 0.04 -2.61 1.42 0.00 -0.52 0.00 0.00 37.83 36.17 1a4a s LYS 52 CO 0.08 -0.60 1.82 1.49 -0.92 0.00 0.00 175.35 177.23 1a4a h GLU 53 N 2.37 0.00 0.19 1.68 4.81 -1.88 0.38 114.58 122.13 1a4a h GLU 53 Ca -0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1a4a h GLU 53 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1a4a h GLU 53 CO 0.61 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.80 1a4a h ALA 54 N 1.35 -0.26 0.00 2.92 0.00 -1.91 -3.29 119.26 118.08 1a4a h ALA 54 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a4a h ALA 54 Cb 1.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1a4a h ALA 54 CO -0.00 -0.56 0.00 -0.25 0.00 0.00 0.00 179.25 178.44 1a4a n ASP 55 N -5.12 0.00 0.38 0.00 8.00 0.12 -4.34 116.55 115.60 1a4a n ASP 55 Ca -0.09 -1.10 -0.18 0.00 0.71 0.00 0.00 54.79 54.13 1a4a n ASP 55 Cb 0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.00 -0.92 -0.87 -1.24 3.64 -1.63 -0.62 116.57 114.92 1a4a h LYS 56 Ca 0.00 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1a4a h LYS 56 Cb 0.00 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1a4a h LYS 56 CO 0.00 -0.60 0.53 0.93 -2.27 0.00 0.00 179.45 178.04 1a4a h GLU 57 N -1.00 1.18 -0.45 1.90 5.08 -1.87 -0.11 114.58 119.32 1a4a h GLU 57 Ca -0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1a4a h GLU 57 Cb 0.74 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1a4a h GLU 57 CO 0.16 0.83 0.06 0.78 -1.00 0.00 0.00 179.01 179.84 1a4a h GLY 58 N 1.21 0.82 1.03 -3.84 0.00 -1.82 -1.10 103.07 99.36 1a4a h GLY 58 Ca 0.31 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 1a4a h GLY 58 CO -0.06 0.52 -0.32 -2.08 0.00 0.00 0.00 176.54 174.60 1a4a h VAL 59 N 0.62 1.29 -0.26 4.60 2.07 -0.90 -2.41 116.25 121.26 1a4a h VAL 59 Ca 0.14 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1a4a h VAL 59 Cb 0.41 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1a4a h VAL 59 CO 0.01 0.48 0.16 0.00 0.02 0.00 0.00 177.57 178.24 1a4a h ALA 60 N 0.73 0.33 0.15 1.67 0.00 -0.82 0.28 119.26 121.59 1a4a h ALA 60 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a4a h ALA 60 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a4a h ALA 60 CO 0.08 -0.17 -0.07 1.15 0.00 0.00 0.00 179.25 180.23 1a4a h THR 61 N 0.32 0.92 0.00 0.00 2.02 -1.25 0.95 112.91 115.88 1a4a h THR 61 Ca 0.09 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1a4a h THR 61 Cb 0.01 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1a4a h THR 61 CO -0.02 0.07 -0.20 0.44 0.37 0.00 0.00 175.52 176.18 1a4a h ASP 62 N -0.34 0.00 -0.10 4.18 3.32 -1.38 -1.88 116.42 120.22 1a4a h ASP 62 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1a4a h ASP 62 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1a4a h ASP 62 CO 0.03 0.20 -0.01 1.23 -1.72 0.00 0.00 179.24 178.97 1a4a h GLY 63 N 0.73 0.20 0.88 2.75 0.00 -0.13 -1.74 103.07 105.76 1a4a h GLY 63 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1a4a h GLY 63 CO 0.03 0.14 0.51 1.98 0.00 0.00 0.00 176.54 179.20 1a4a h MET 64 N -0.11 0.97 0.00 4.80 1.85 -0.50 0.29 114.93 122.22 1a4a h MET 64 Ca 0.03 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1a4a h MET 64 Cb 0.39 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.20 1a4a h MET 64 CO 0.01 0.64 0.00 -0.91 -0.40 0.00 0.00 176.91 176.25 1a4a h ASN 65 N 1.00 0.00 1.28 1.39 2.35 -1.23 -3.16 115.58 117.20 1a4a h ASN 65 Ca 0.32 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1a4a h ASN 65 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1a4a h ASN 65 CO -0.11 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.49 1a4a h ALA 66 N 2.07 0.95 0.00 -0.83 0.00 0.01 -3.50 119.26 117.95 1a4a h ALA 66 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a4a h ALA 66 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a4a h ALA 66 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1a4a n GLY 67 N 0.52 -0.81 0.34 0.00 0.00 -1.20 -4.28 105.19 99.78 1a4a n GLY 67 Ca 0.01 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.42 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 0.82 -2.82 0.99 5.85 -1.92 -1.66 115.31 116.58 1a4a h LEU 68 Ca 0.00 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a4a h LEU 68 Cb 0.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1a4a h LEU 68 CO 0.00 0.61 -0.00 0.00 -0.34 0.00 0.00 178.44 178.71 1a4a h ALA 69 N 1.54 1.17 -0.67 1.25 0.00 -2.02 0.46 119.26 120.99 1a4a h ALA 69 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1a4a h ALA 69 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a4a h ALA 69 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.24 1a4a n GLN 70 N -3.33 2.65 -3.06 0.00 1.13 -0.73 -4.94 117.38 109.11 1a4a n GLN 70 Ca -0.03 -2.56 -0.22 0.00 -1.94 0.00 0.00 57.00 52.25 1a4a n GLN 70 Cb 0.08 -1.56 0.02 0.00 0.11 0.00 0.00 30.24 28.89 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 1.61 -5.30 -4.14 1.08 8.00 0.15 -2.29 116.55 115.66 1a4a n ASP 71 Ca 0.23 -0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 1a4a n ASP 71 Cb 0.61 -4.32 -0.02 0.00 -0.02 0.00 0.00 41.12 37.37 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 -4.26 -1.82 -4.00 1.24 4.01 -0.70 -4.65 117.16 106.98 1a4a n TYR 72 Ca -0.09 0.81 -0.20 0.00 -0.16 0.00 0.00 57.90 58.26 1a4a n TYR 72 Cb 0.60 -3.21 -0.17 0.00 -0.31 0.00 0.00 39.34 36.25 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 -3.38 0.40 0.11 -0.72 1.01 -0.97 -4.13 120.40 112.71 1a4a s VAL 73 Ca 0.63 -0.00 -0.34 0.00 0.00 0.00 0.00 61.98 62.27 1a4a s VAL 73 Cb -0.34 -0.48 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 1a4a s VAL 73 CO 0.91 0.21 1.66 1.17 0.00 0.00 0.00 175.10 179.05 1a4a n LYS 74 N 4.36 2.22 -1.72 2.72 4.81 -1.26 -4.83 118.16 124.45 1a4a n LYS 74 Ca -0.21 0.80 -0.43 0.00 -0.87 0.00 0.00 58.31 57.61 1a4a n LYS 74 Cb 0.50 -2.60 -0.02 0.00 0.02 0.00 0.00 35.03 32.93 1a4a n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a4a n ALA 75 N 4.26 2.27 -1.61 3.14 0.00 -1.26 -2.20 120.51 125.10 1a4a n ALA 75 Ca 0.18 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.85 1a4a n ALA 75 Cb 0.30 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 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 2.47 1.29 3.61 0.00 0.00 -1.26 -4.90 105.19 106.40 1a4a n GLY 76 Ca 0.11 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.73 5.92 0.59 1.61 -1.08 -0.93 -4.85 116.67 115.20 1a4a s ASP 77 Ca 0.00 1.56 0.35 0.00 -0.52 0.00 0.00 52.55 53.94 1a4a s ASP 77 Cb 0.00 -2.52 1.85 0.00 -1.46 0.00 0.00 42.92 40.79 1a4a s ASP 77 CO 0.00 -1.64 2.20 0.71 0.52 0.00 0.00 175.17 176.96 1a4a h THR 78 N 6.70 0.27 0.00 1.71 1.35 -1.91 -1.85 112.91 119.18 1a4a h THR 78 Ca -0.36 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1a4a h THR 78 Cb 1.18 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1a4a h THR 78 CO 1.00 0.04 -0.13 0.54 -0.25 0.00 0.00 175.52 176.72 1a4a n ARG 79 N -3.39 0.11 -3.11 4.72 1.74 -1.26 -4.74 116.66 110.73 1a4a n ARG 79 Ca -0.02 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 1a4a n ARG 79 Cb 0.16 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.05 4.84 0.10 1.55 1.01 -0.70 -4.45 120.40 119.70 1a4a s VAL 80 Ca 0.12 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1a4a s VAL 80 Cb 0.16 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1a4a s VAL 80 CO 0.59 -0.54 1.43 0.40 0.00 0.00 0.00 175.10 176.99 1a4a h ILE 81 N 5.83 1.30 -2.48 2.22 2.04 -1.51 -3.48 117.51 121.44 1a4a h ILE 81 Ca -0.26 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.23 1a4a h ILE 81 Cb 1.10 1.55 -0.15 0.00 -0.74 0.00 0.00 36.82 38.58 1a4a h ILE 81 CO 0.88 0.45 0.32 0.00 0.00 0.00 0.00 178.15 179.79 1a4a s ALA 82 N -4.43 -1.73 -0.01 1.87 0.00 -1.23 -4.95 121.76 111.28 1a4a s ALA 82 Ca -0.12 0.90 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 1a4a s ALA 82 Cb 0.09 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.71 1a4a s ALA 82 CO 0.82 -0.63 0.58 -3.38 0.00 0.00 0.00 175.76 173.15 1a4a s HIS 83 N -2.85 -0.53 0.64 0.00 -3.43 -1.26 -1.26 115.29 106.60 1a4a s HIS 83 Ca -0.00 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 1a4a s HIS 83 Cb -0.01 0.35 0.13 0.00 -1.43 0.00 0.00 32.58 31.62 1a4a s HIS 83 CO -0.06 -0.59 0.87 0.25 -2.00 0.00 0.00 174.74 173.21 1a4a n THR 84 N 0.80 0.00 -1.99 -5.38 -2.24 -0.38 -4.85 114.28 100.24 1a4a n THR 84 Ca -0.19 -1.42 -0.28 0.00 -2.27 0.00 0.00 64.05 59.89 1a4a n THR 84 Cb 0.58 -0.92 0.08 0.00 -2.10 0.00 0.00 70.33 67.96 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 -4.76 2.18 -0.06 -0.78 1.02 -1.26 -4.65 119.74 111.42 1a4a s LYS 85 Ca 0.58 0.07 -0.22 0.00 0.02 0.00 0.00 55.97 56.42 1a4a s LYS 85 Cb -0.03 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1a4a s LYS 85 CO 0.39 -1.40 0.63 0.08 -0.92 0.00 0.00 175.35 174.13 1a4a s VAL 86 N -3.45 5.04 0.17 3.17 1.01 -1.26 -4.43 120.40 120.65 1a4a s VAL 86 Ca 0.61 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.98 1a4a s VAL 86 Cb -0.11 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1a4a s VAL 86 CO 0.48 0.31 -0.20 0.27 0.00 0.00 0.00 175.10 175.96 1a4a s ILE 87 N 0.52 1.96 0.43 2.22 -4.36 -0.50 -4.90 121.20 116.58 1a4a s ILE 87 Ca 0.34 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.87 1a4a s ILE 87 Cb -0.17 -1.90 0.07 0.00 1.25 0.00 0.00 42.46 41.71 1a4a s ILE 87 CO 0.16 -0.24 0.60 0.61 0.24 0.00 0.00 174.94 176.31 1a4a n GLY 88 N 0.35 1.87 3.73 6.27 0.00 -1.26 -1.99 105.19 114.16 1a4a n GLY 88 Ca -0.13 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.21 1.24 2.20 -0.02 0.00 0.22 -2.20 105.19 106.42 1a4a n GLY 89 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 2.25 0.86 3.96 -0.02 0.00 -0.28 -4.85 105.19 107.11 1a4a n GLY 90 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 2.42 0.14 1.61 2.02 -0.93 -4.93 118.70 118.77 1a4a s GLU 91 Ca 0.00 -1.67 -0.13 0.00 0.02 0.00 0.00 54.97 53.19 1a4a s GLU 91 Cb 0.00 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1a4a s GLU 91 CO 0.00 -0.56 0.36 -1.54 0.02 0.00 0.00 175.26 173.54 1a4a s SER 92 N -4.39 -0.10 0.01 -0.19 1.04 -1.26 -0.97 113.70 107.85 1a4a s SER 92 Ca 0.50 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 1a4a s SER 92 Cb -0.05 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.57 1a4a s SER 92 CO 0.30 -0.88 0.42 -0.62 0.98 0.00 0.00 173.24 173.44 1a4a s ASP 93 N -2.87 -0.31 0.16 7.02 2.15 -0.30 -5.00 116.67 117.52 1a4a s ASP 93 Ca 0.08 0.12 0.07 0.00 0.43 0.00 0.00 52.55 53.25 1a4a s ASP 93 Cb 0.02 0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1a4a s ASP 93 CO -0.07 -0.59 -0.15 -0.44 -0.17 0.00 0.00 175.17 173.75 1a4a s SER 94 N -1.70 2.37 -0.09 -0.34 0.01 -1.26 -0.37 113.70 112.32 1a4a s SER 94 Ca -0.08 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.19 1a4a s SER 94 Cb -0.02 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1a4a s SER 94 CO 0.01 -0.13 0.24 0.54 0.41 0.00 0.00 173.24 174.31 1a4a s VAL 95 N -2.45 -0.00 -0.09 3.43 0.11 -0.94 -4.90 120.40 115.55 1a4a s VAL 95 Ca 0.16 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1a4a s VAL 95 Cb -0.03 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1a4a s VAL 95 CO 0.05 0.01 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.72 1a4a s THR 96 N 0.22 2.36 0.19 5.04 2.01 -1.26 -1.04 115.64 123.17 1a4a s THR 96 Ca -0.01 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1a4a s THR 96 Cb -0.02 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1a4a s THR 96 CO -0.00 0.56 -0.05 0.72 -0.69 0.00 0.00 174.62 175.15 1a4a s PHE 97 N 0.08 1.41 -0.11 4.92 -0.71 0.28 -4.94 117.98 118.90 1a4a s PHE 97 Ca -0.09 -0.85 -0.26 0.00 -1.04 0.00 0.00 56.93 54.69 1a4a s PHE 97 Cb -0.15 -0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 40.86 1a4a s PHE 97 CO 0.06 0.01 0.85 0.34 -1.34 0.00 0.00 175.22 175.15 1a4a s ASP 98 N -3.24 7.07 0.55 1.98 2.15 -1.26 -1.29 116.67 122.63 1a4a s ASP 98 Ca 0.23 1.30 0.32 0.00 0.43 0.00 0.00 52.55 54.83 1a4a s ASP 98 Cb 0.04 -2.48 1.50 0.00 -0.30 0.00 0.00 42.92 41.69 1a4a s ASP 98 CO 0.05 -0.33 2.05 0.58 -0.17 0.00 0.00 175.17 177.35 1a4a h VAL 99 N 5.03 0.25 0.00 1.11 2.07 -1.28 -2.50 116.25 120.92 1a4a h VAL 99 Ca -0.34 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1a4a h VAL 99 Cb 1.16 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1a4a h VAL 99 CO 0.81 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.93 1a4a n SER 100 N -3.29 0.00 0.08 0.57 3.41 -1.26 -0.53 113.62 112.60 1a4a n SER 100 Ca -0.01 0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1a4a n SER 100 Cb 0.27 -0.32 0.44 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.32 0.14 -4.18 4.33 5.02 -0.94 -4.72 118.16 116.49 1a4a n LYS 101 Ca 0.06 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.32 1a4a n LYS 101 Cb 0.12 -1.74 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 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 -4.00 3.58 0.06 -0.35 1.43 0.31 -5.09 118.68 114.62 1a4a s LEU 102 Ca 0.07 -0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 1a4a s LEU 102 Cb 0.11 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1a4a s LEU 102 CO 0.41 0.18 0.79 -0.89 0.23 0.00 0.00 176.35 177.07 1a4a s THR 103 N 0.31 4.68 0.65 5.49 2.01 -1.26 -5.04 115.64 122.48 1a4a s THR 103 Ca 0.00 1.70 -0.18 0.00 0.31 0.00 0.00 61.69 63.52 1a4a s THR 103 Cb -0.13 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 1a4a s THR 103 CO 0.01 0.37 1.20 -2.65 -0.69 0.00 0.00 174.62 172.86 1a4a n PRO 104 N 2.73 0.99 0.00 4.92 -0.02 -1.26 -3.53 135.00 138.82 1a4a n PRO 104 Ca -0.02 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1a4a n PRO 104 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.01 1.49 3.53 -1.23 0.00 -1.26 -4.95 105.19 103.78 1a4a n GLY 105 Ca 0.15 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.69 1a4a n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a4a n GLU 106 N 0.00 0.87 -3.79 1.61 2.13 -1.23 -4.83 120.64 115.40 1a4a n GLU 106 Ca 0.00 0.31 -0.37 0.00 0.66 0.00 0.00 57.16 57.76 1a4a n GLU 106 Cb 0.00 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 1a4a n GLU 106 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a4a s ALA 107 N -0.73 3.83 0.16 4.31 0.00 -1.26 -4.57 121.76 123.50 1a4a s ALA 107 Ca 0.66 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.17 1a4a s ALA 107 Cb -0.84 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1a4a s ALA 107 CO 0.56 0.55 -0.19 0.71 0.00 0.00 0.00 175.76 177.40 1a4a s TYR 108 N -0.92 2.45 -0.17 0.00 1.51 -0.56 -3.77 117.35 115.88 1a4a s TYR 108 Ca 0.16 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1a4a s TYR 108 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1a4a s TYR 108 CO 0.06 0.46 0.07 0.00 -1.11 0.00 0.00 175.55 175.02 1a4a s ALA 109 N -1.47 3.45 0.01 3.71 0.00 -0.31 -0.52 121.76 126.63 1a4a s ALA 109 Ca 0.20 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1a4a s ALA 109 Cb -0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1a4a s ALA 109 CO 0.11 0.24 -0.17 1.52 0.00 0.00 0.00 175.76 177.45 1a4a s TYR 110 N 0.18 2.59 0.30 0.00 -0.85 -0.50 -1.38 117.35 117.68 1a4a s TYR 110 Ca 0.05 -0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 56.18 1a4a s TYR 110 Cb -0.12 -1.51 0.02 0.00 0.38 0.00 0.00 41.96 40.73 1a4a s TYR 110 CO 0.00 0.22 0.69 -0.59 -1.52 0.00 0.00 175.55 174.35 1a4a s PHE 111 N -0.86 -0.01 -0.21 -3.49 -0.71 -0.05 -0.13 117.98 112.53 1a4a s PHE 111 Ca 0.14 -0.47 -0.07 0.00 -1.04 0.00 0.00 56.93 55.49 1a4a s PHE 111 Cb -0.10 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1a4a s PHE 111 CO 0.04 -1.27 0.06 0.00 -1.34 0.00 0.00 175.22 172.72 1a4a n SER 113 N 4.05 4.29 -4.75 0.00 3.41 -1.26 -1.85 113.62 117.50 1a4a n SER 113 Ca -0.16 -2.20 -0.42 0.00 -0.26 0.00 0.00 58.87 55.83 1a4a n SER 113 Cb 0.52 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1a4a n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1a4a n PHE 114 N 1.37 2.82 -1.71 7.33 7.35 -1.26 -4.34 117.46 129.02 1a4a n PHE 114 Ca 0.25 0.42 -0.64 0.00 -0.76 0.00 0.00 57.45 56.72 1a4a n PHE 114 Cb 0.74 -2.52 -0.09 0.00 0.35 0.00 0.00 39.48 37.95 1a4a n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1a4a n PRO 115 N 0.88 0.35 -0.39 -7.13 -0.02 -1.26 -0.89 135.00 126.54 1a4a n PRO 115 Ca 0.04 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1a4a n PRO 115 Cb 0.38 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.81 1.20 0.06 -1.23 0.00 -1.26 -4.91 105.19 102.85 1a4a n GLY 116 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 0.15 -0.33 1.61 8.25 -0.07 -4.66 115.22 118.16 1a4a n HIS 117 Ca 0.00 0.05 0.14 0.00 -0.26 0.00 0.00 57.72 57.65 1a4a n HIS 117 Cb 0.00 -0.76 0.33 0.00 1.12 0.00 0.00 29.99 30.68 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 0.90 0.00 4.41 5.08 -1.53 0.23 115.95 125.04 1a4a h TRP 118 Ca -0.21 0.04 -0.08 0.00 1.08 0.00 0.00 58.89 59.71 1a4a h TRP 118 Cb 1.51 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 1a4a h TRP 118 CO 0.00 0.09 -0.37 0.00 -1.28 0.00 0.00 178.44 176.88 1a4a h ALA 119 N 1.68 0.83 0.01 0.11 0.00 -1.87 -3.36 119.26 116.67 1a4a h ALA 119 Ca 0.58 -0.34 -0.39 0.00 0.00 0.00 0.00 54.91 54.77 1a4a h ALA 119 Cb 1.03 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1a4a h ALA 119 CO -0.45 0.46 -2.42 -1.33 0.00 0.00 0.00 179.25 175.51 1a4a n MET 120 N -3.29 0.66 -3.19 0.00 2.81 -0.52 -4.78 117.12 108.81 1a4a n MET 120 Ca 0.01 0.15 -0.46 0.00 -1.81 0.00 0.00 57.70 55.60 1a4a n MET 120 Cb 0.61 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.55 1a4a n MET 120 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1a4a s HIS 121 N -2.52 3.40 0.23 2.03 5.04 -0.04 -4.80 115.29 118.62 1a4a s HIS 121 Ca -0.32 -1.56 -0.17 0.00 -1.54 0.00 0.00 55.06 51.46 1a4a s HIS 121 Cb 0.09 -3.96 0.02 0.00 0.04 0.00 0.00 32.58 28.76 1a4a s HIS 121 CO 0.63 -1.17 0.56 -1.59 -2.34 0.00 0.00 174.74 170.83 1a4a s LYS 122 N 1.42 1.51 0.12 2.88 0.00 -1.26 -1.19 119.74 123.23 1a4a s LYS 122 Ca 0.18 -0.98 -0.12 0.00 0.00 0.00 0.00 55.97 55.05 1a4a s LYS 122 Cb -0.14 0.53 0.04 0.00 0.00 0.00 0.00 37.83 38.26 1a4a s LYS 122 CO -0.05 -0.65 0.56 0.41 0.00 0.00 0.00 175.35 175.63 1a4a n GLY 123 N -0.38 0.98 3.26 0.59 0.00 0.82 -4.79 105.19 105.67 1a4a n GLY 123 Ca -0.07 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.31 1.91 -0.05 2.61 2.01 -0.39 -1.41 115.64 118.01 1a4a s THR 124 Ca 0.12 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1a4a s THR 124 Cb -0.02 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1a4a s THR 124 CO 0.04 0.54 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.07 1a4a s LEU 125 N -0.32 2.00 0.04 4.42 0.20 0.32 -0.82 118.68 124.52 1a4a s LEU 125 Ca 0.02 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 1a4a s LEU 125 Cb -0.12 -1.18 -0.01 0.00 -0.43 0.00 0.00 46.19 44.45 1a4a s LEU 125 CO 0.01 0.21 0.10 -1.59 -0.29 0.00 0.00 176.35 174.79 1a4a s LYS 126 N -0.09 0.58 -0.07 1.98 -2.85 -0.50 -1.50 119.74 117.29 1a4a s LYS 126 Ca -0.03 -0.74 -0.17 0.00 -1.00 0.00 0.00 55.97 54.03 1a4a s LYS 126 Cb -0.12 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.83 1a4a s LYS 126 CO 0.03 -0.15 0.47 -1.17 0.10 0.00 0.00 175.35 174.63 1a4a s LEU 127 N -2.09 4.36 0.26 2.77 2.96 -1.26 -0.50 118.68 125.17 1a4a s LEU 127 Ca -0.05 0.91 -0.20 0.00 -0.22 0.00 0.00 54.13 54.56 1a4a s LEU 127 Cb -0.01 -2.69 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1a4a s LEU 127 CO -0.04 0.11 0.68 -0.55 -1.32 0.00 0.00 176.35 175.23 1a4a s SER 128 N -0.01 -0.29 0.00 3.68 0.15 -0.55 -4.11 113.70 112.58 1a4a s SER 128 Ca 0.26 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1a4a s SER 128 Cb -0.16 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1a4a s SER 128 CO 0.12 -1.27 0.45 -0.46 1.20 0.00 0.00 173.24 173.28