#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in0 n GLU 2 N 0.00 2.16 -0.96 0.00 2.13 -1.26 -0.53 120.64 122.17 3in0 n GLU 2 Ca 0.00 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3in0 n GLU 2 Cb 0.00 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 28.57 3in0 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3in0 s SER 4 N -2.11 0.16 -0.23 0.00 1.04 0.30 0.19 113.70 113.05 3in0 s SER 4 Ca 0.00 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.45 3in0 s SER 4 Cb 0.00 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.56 3in0 s SER 4 CO 0.00 -0.78 0.53 0.54 0.98 0.00 0.00 173.24 174.51 3in0 s VAL 5 N -3.94 -0.32 -0.06 5.02 0.11 0.23 0.19 120.40 121.63 3in0 s VAL 5 Ca 0.14 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.05 3in0 s VAL 5 Cb 0.05 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 3in0 s VAL 5 CO -0.04 0.03 0.58 -1.81 -3.33 0.00 0.00 175.10 170.53 3in0 s ASP 6 N 1.98 6.88 0.14 3.54 1.01 -1.26 -1.34 116.67 127.63 3in0 s ASP 6 Ca -0.07 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.30 3in0 s ASP 6 Cb -0.09 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 3in0 s ASP 6 CO -0.16 0.02 -0.13 -0.51 0.21 0.00 0.00 175.17 174.60 3in0 s ILE 7 N 0.29 1.37 -0.14 0.77 2.07 0.49 -4.90 121.20 121.16 3in0 s ILE 7 Ca 0.31 -1.86 0.02 0.00 -1.41 0.00 0.00 60.65 57.72 3in0 s ILE 7 Cb -0.17 -1.67 0.01 0.00 0.13 0.00 0.00 42.46 40.76 3in0 s ILE 7 CO 0.15 -0.50 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.37 3in0 s GLN 8 N -3.01 3.05 -0.07 3.50 -0.21 -1.26 0.19 119.66 121.85 3in0 s GLN 8 Ca 0.12 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.65 3in0 s GLN 8 Cb -0.03 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3in0 s GLN 8 CO 0.03 0.00 0.00 0.20 -2.12 0.00 0.00 175.29 173.40 3in0 s GLY 9 N 0.79 1.85 0.00 3.09 0.00 0.49 -2.53 107.32 111.01 3in0 s GLY 9 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3in0 s GLY 9 CO -0.01 -0.61 0.00 1.16 0.00 0.00 0.00 173.10 173.64 3in0 n ASN 10 N 2.02 0.64 0.10 1.64 0.23 -1.15 -3.05 115.26 115.70 3in0 n ASN 10 Ca -0.18 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.99 3in0 n ASN 10 Cb 0.53 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.44 3in0 n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3in0 h ASP 11 N 0.00 0.00 -0.15 0.53 3.32 -1.92 -3.22 116.42 114.98 3in0 h ASP 11 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3in0 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3in0 h ASP 11 CO 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 3in0 n GLN 12 N -2.40 1.71 -1.30 3.56 1.13 -1.26 -4.90 117.38 113.91 3in0 n GLN 12 Ca 0.03 -1.06 -0.10 0.00 -1.94 0.00 0.00 57.00 53.93 3in0 n GLN 12 Cb 0.47 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.38 3in0 n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3in0 n MET 13 N 0.28 -0.86 -4.15 -1.09 1.56 -1.22 -5.00 117.12 106.65 3in0 n MET 13 Ca 0.16 0.84 -0.26 0.00 -0.27 0.00 0.00 57.70 58.17 3in0 n MET 13 Cb 0.32 -4.82 -0.07 0.00 2.15 0.00 0.00 33.22 30.81 3in0 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3in0 s GLN 14 N -2.77 2.65 0.00 2.12 -0.21 -1.26 -4.17 119.66 116.01 3in0 s GLN 14 Ca 0.00 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 3in0 s GLN 14 Cb 0.00 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 3in0 s GLN 14 CO 0.00 0.47 0.16 -0.06 -2.12 0.00 0.00 175.29 173.74 3in0 s PHE 15 N -1.75 3.49 -0.40 0.91 0.08 -1.26 -2.93 117.98 116.13 3in0 s PHE 15 Ca 0.29 0.31 -0.03 0.00 0.12 0.00 0.00 56.93 57.63 3in0 s PHE 15 Cb -0.10 -1.80 0.13 0.00 -0.57 0.00 0.00 43.02 40.69 3in0 s PHE 15 CO 0.21 0.62 2.44 0.27 -0.10 0.00 0.00 175.22 178.66 3in0 n ASN 16 N 0.90 6.49 0.00 1.36 0.23 -1.05 -4.82 115.26 118.38 3in0 n ASN 16 Ca -0.11 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 50.79 3in0 n ASN 16 Cb 0.52 -1.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 3in0 n ASN 16 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3in0 n THR 17 N 0.62 0.00 -0.28 5.53 5.66 -1.26 -4.84 114.28 119.70 3in0 n THR 17 Ca 0.41 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.41 3in0 n THR 17 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 3in0 n THR 17 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3in0 n ASN 18 N 0.00 0.90 -3.99 1.09 0.23 -1.26 -4.82 115.26 107.41 3in0 n ASN 18 Ca 0.00 -1.18 -0.14 0.00 -0.53 0.00 0.00 54.58 52.73 3in0 n ASN 18 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 3in0 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3in0 s ALA 19 N -0.18 0.40 -0.01 -2.53 0.00 -1.26 -0.63 121.76 117.55 3in0 s ALA 19 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3in0 s ALA 19 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3in0 s ALA 19 CO 0.00 0.02 -0.14 0.42 0.00 0.00 0.00 175.76 176.06 3in0 s ILE 20 N -0.71 1.11 -0.17 0.00 1.01 0.13 -4.93 121.20 117.64 3in0 s ILE 20 Ca -0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 3in0 s ILE 20 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3in0 s ILE 20 CO -0.00 0.32 0.40 -0.89 0.00 0.00 0.00 174.94 174.76 3in0 s THR 21 N -0.29 5.22 -0.11 2.92 2.01 -1.26 -2.18 115.64 121.95 3in0 s THR 21 Ca 0.05 0.74 -0.00 0.00 0.31 0.00 0.00 61.69 62.78 3in0 s THR 21 Cb -0.06 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.74 3in0 s THR 21 CO -0.00 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.46 3in0 s VAL 22 N 0.99 0.99 -0.20 3.82 1.01 -0.72 -4.92 120.40 121.36 3in0 s VAL 22 Ca 0.20 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 3in0 s VAL 22 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3in0 s VAL 22 CO 0.08 0.36 0.65 -0.62 0.00 0.00 0.00 175.10 175.56 3in0 s ASP 23 N 1.66 6.69 0.54 3.32 -1.08 -1.26 -0.94 116.67 125.61 3in0 s ASP 23 Ca 0.04 0.84 0.35 0.00 -0.52 0.00 0.00 52.55 53.26 3in0 s ASP 23 Cb -0.13 -2.36 1.53 0.00 -1.46 0.00 0.00 42.92 40.51 3in0 s ASP 23 CO -0.07 -0.30 1.82 0.11 0.52 0.00 0.00 175.17 177.26 3in0 h LYS 24 N 7.52 0.00 0.00 4.34 1.57 -1.91 0.50 116.57 128.59 3in0 h LYS 24 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3in0 h LYS 24 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3in0 h LYS 24 CO 0.78 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.32 3in0 h SER 25 N 0.00 0.00 -2.76 0.86 4.64 -1.94 -3.44 113.55 110.90 3in0 h SER 25 Ca 0.52 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.28 3in0 h SER 25 Cb 2.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.17 3in0 h SER 25 CO -0.01 0.00 0.99 0.00 -0.87 0.00 0.00 176.83 176.94 3in0 h LYS 27 N 8.82 0.44 -6.46 0.00 1.63 -1.87 -3.44 116.57 115.70 3in0 h LYS 27 Ca -0.34 -0.30 -0.63 0.00 -0.85 0.00 0.00 60.65 58.53 3in0 h LYS 27 Cb 1.15 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.67 3in0 h LYS 27 CO 0.95 0.90 -0.74 -0.65 -3.45 0.00 0.00 179.45 176.47 3in0 s GLN 28 N -3.97 1.94 -0.03 1.90 1.11 -1.26 -2.99 119.66 116.36 3in0 s GLN 28 Ca -0.14 -1.35 0.04 0.00 0.01 0.00 0.00 55.36 53.92 3in0 s GLN 28 Cb 0.05 -2.08 -0.00 0.00 -1.01 0.00 0.00 33.01 29.97 3in0 s GLN 28 CO 0.79 0.42 -0.14 0.12 0.01 0.00 0.00 175.29 176.49 3in0 s PHE 29 N -1.75 1.39 0.04 0.91 5.36 -1.15 -4.68 117.98 118.09 3in0 s PHE 29 Ca 0.24 -0.37 0.08 0.00 -0.96 0.00 0.00 56.93 55.92 3in0 s PHE 29 Cb -0.08 -0.95 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 3in0 s PHE 29 CO 0.14 -0.13 -0.22 0.99 -1.46 0.00 0.00 175.22 174.55 3in0 s THR 30 N 0.07 2.51 -0.06 0.12 2.01 0.49 -1.47 115.64 119.31 3in0 s THR 30 Ca -0.03 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 60.77 3in0 s THR 30 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3in0 s THR 30 CO 0.01 0.36 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.40 3in0 s VAL 31 N -0.86 2.36 -0.35 3.82 1.01 0.49 -0.60 120.40 126.27 3in0 s VAL 31 Ca 0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3in0 s VAL 31 Cb -0.10 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3in0 s VAL 31 CO 0.04 0.57 0.14 0.20 0.00 0.00 0.00 175.10 176.05 3in0 s ASN 32 N -0.32 5.46 -0.08 3.32 0.01 -0.45 0.12 114.94 123.01 3in0 s ASN 32 Ca 0.01 -1.11 -0.16 0.00 -0.71 0.00 0.00 52.86 50.89 3in0 s ASN 32 Cb -0.13 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 3in0 s ASN 32 CO 0.02 -0.36 0.42 -0.22 -1.51 0.00 0.00 177.10 175.46 3in0 s LEU 33 N 1.45 4.35 0.09 0.60 2.96 -0.68 0.19 118.68 127.64 3in0 s LEU 33 Ca -0.00 0.82 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 3in0 s LEU 33 Cb -0.20 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 3in0 s LEU 33 CO 0.04 0.15 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.59 3in0 s SER 34 N -0.08 3.79 -0.54 3.68 0.01 0.50 -2.41 113.70 118.65 3in0 s SER 34 Ca 0.23 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.01 3in0 s SER 34 Cb -0.15 -0.53 0.19 0.00 0.21 0.00 0.00 66.02 65.74 3in0 s SER 34 CO 0.10 0.20 0.47 1.57 0.41 0.00 0.00 173.24 176.00 3in0 n HIS 35 N 1.06 1.15 -0.50 2.43 -0.00 -1.24 0.19 115.22 118.31 3in0 n HIS 35 Ca -0.16 -3.79 -0.26 0.00 0.46 0.00 0.00 57.72 53.97 3in0 n HIS 35 Cb 0.53 -0.23 0.20 0.00 -0.12 0.00 0.00 29.99 30.36 3in0 n HIS 35 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3in0 n PRO 36 N 2.07 -2.66 0.00 1.57 -0.01 -1.17 -1.53 135.00 133.27 3in0 n PRO 36 Ca 0.25 -0.78 0.00 0.00 -0.01 0.00 0.00 63.50 62.97 3in0 n PRO 36 Cb 0.43 -1.69 0.00 0.00 -0.01 0.00 0.00 33.50 32.24 3in0 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3in0 n GLY 37 N 2.09 -1.70 2.53 -1.23 0.00 -1.26 -4.30 105.19 101.32 3in0 n GLY 37 Ca 0.05 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 3in0 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3in0 n ASN 38 N 0.08 -0.25 -4.15 1.61 4.13 -1.26 -4.43 115.26 110.99 3in0 n ASN 38 Ca 0.00 -3.00 -0.29 0.00 1.68 0.00 0.00 54.58 52.97 3in0 n ASN 38 Cb 0.00 0.30 -0.17 0.00 -1.54 0.00 0.00 39.78 38.37 3in0 n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3in0 s LEU 39 N -2.71 1.93 0.00 3.41 1.43 -1.26 -4.98 118.68 116.50 3in0 s LEU 39 Ca 0.29 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 3in0 s LEU 39 Cb 0.37 -1.16 0.26 0.00 0.03 0.00 0.00 46.19 45.69 3in0 s LEU 39 CO -0.04 0.13 1.02 -2.65 0.23 0.00 0.00 176.35 175.04 3in0 n PRO 40 N 3.50 -2.60 0.20 1.29 -0.02 -1.26 0.13 135.00 136.25 3in0 n PRO 40 Ca -0.20 -1.63 0.05 0.00 -2.02 0.00 0.00 63.50 59.70 3in0 n PRO 40 Cb 0.52 -1.43 0.43 0.00 -0.02 0.00 0.00 33.50 33.01 3in0 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3in0 h LYS 41 N 0.00 0.00 0.00 -0.52 3.64 -1.87 -2.55 116.57 115.27 3in0 h LYS 41 Ca -0.37 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.85 3in0 h LYS 41 Cb 1.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3in0 h LYS 41 CO 0.25 0.30 -0.77 -2.95 -2.27 0.00 0.00 179.45 174.01 3in0 h ASN 42 N 0.00 0.00 0.00 4.20 -1.07 -1.97 -2.19 115.58 114.56 3in0 h ASN 42 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.07 3in0 h ASN 42 Cb 0.58 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.77 3in0 h ASN 42 CO 0.04 0.77 -2.11 0.52 0.07 0.00 0.00 177.43 176.72 3in0 n VAL 43 N -3.55 1.11 -2.72 6.14 0.31 -1.18 -4.68 118.33 113.76 3in0 n VAL 43 Ca -0.00 -0.53 -0.05 0.00 -0.01 0.00 0.00 64.34 63.74 3in0 n VAL 43 Cb 0.76 -0.94 0.05 0.00 -0.91 0.00 0.00 33.84 32.80 3in0 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3in0 n MET 44 N -2.86 1.36 -1.99 5.55 0.00 -0.97 -5.03 117.12 113.18 3in0 n MET 44 Ca -0.31 -3.11 -0.38 0.00 -0.00 0.00 0.00 57.70 53.90 3in0 n MET 44 Cb 0.93 -1.18 0.02 0.00 0.00 0.00 0.00 33.22 32.99 3in0 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3in0 s GLY 45 N -3.09 2.85 0.03 -5.12 0.00 -0.82 -4.75 107.32 96.41 3in0 s GLY 45 Ca 0.26 1.17 0.04 0.00 0.00 0.00 0.00 44.72 46.18 3in0 s GLY 45 CO -0.01 1.67 -0.11 0.30 0.00 0.00 0.00 173.10 174.95 3in0 s HIS 46 N -1.40 0.98 0.29 1.90 3.76 -0.97 -4.82 115.29 115.03 3in0 s HIS 46 Ca 0.67 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 3in0 s HIS 46 Cb -0.36 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 3in0 s HIS 46 CO 0.43 0.00 0.13 0.54 -0.85 0.00 0.00 174.74 174.99 3in0 s ASN 47 N -0.98 1.43 -0.10 1.40 2.20 -1.26 -0.02 114.94 117.60 3in0 s ASN 47 Ca -0.00 -1.49 0.01 0.00 -0.94 0.00 0.00 52.86 50.44 3in0 s ASN 47 Cb -0.07 0.29 0.02 0.00 -2.00 0.00 0.00 41.25 39.49 3in0 s ASN 47 CO 0.01 -0.82 -0.12 0.86 -2.94 0.00 0.00 177.10 174.08 3in0 s TRP 48 N -3.66 1.70 0.04 1.54 -0.00 -1.26 -4.34 118.94 112.96 3in0 s TRP 48 Ca 0.36 -0.78 0.06 0.00 -0.00 0.00 0.00 56.10 55.74 3in0 s TRP 48 Cb 0.06 -1.28 -0.02 0.00 -0.00 0.00 0.00 33.47 32.23 3in0 s TRP 48 CO 0.16 -0.44 -0.17 0.08 -0.00 0.00 0.00 176.95 176.57 3in0 s VAL 49 N 1.13 1.37 0.06 5.86 1.01 -0.64 -0.25 120.40 128.94 3in0 s VAL 49 Ca -0.05 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.93 3in0 s VAL 49 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3in0 s VAL 49 CO -0.03 0.12 -0.12 -0.22 0.00 0.00 0.00 175.10 174.85 3in0 s LEU 50 N -1.09 2.91 -0.06 3.92 2.96 0.34 -2.33 118.68 125.33 3in0 s LEU 50 Ca 0.05 -0.35 -0.31 0.00 -0.22 0.00 0.00 54.13 53.29 3in0 s LEU 50 Cb -0.08 -1.71 0.13 0.00 0.50 0.00 0.00 46.19 45.03 3in0 s LEU 50 CO 0.01 0.23 1.37 -0.94 -1.32 0.00 0.00 176.35 175.70 3in0 s SER 51 N -1.77 -0.02 0.69 3.68 1.04 -1.13 -1.75 113.70 114.43 3in0 s SER 51 Ca 0.18 -0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.40 3in0 s SER 51 Cb -0.11 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3in0 s SER 51 CO 0.09 -0.14 1.10 0.42 0.98 0.00 0.00 173.24 175.70 3in0 s THR 52 N -2.16 3.28 0.40 2.02 -4.23 -1.26 -0.22 115.64 113.47 3in0 s THR 52 Ca 0.17 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 3in0 s THR 52 Cb 0.05 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 71.07 3in0 s THR 52 CO -0.05 -0.42 2.02 0.00 -0.54 0.00 0.00 174.62 175.64 3in0 h ALA 53 N -0.25 1.64 0.31 3.99 0.00 -1.54 -2.14 119.26 121.27 3in0 h ALA 53 Ca -0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3in0 h ALA 53 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3in0 h ALA 53 CO 0.53 0.30 -0.15 0.00 0.00 0.00 0.00 179.25 179.94 3in0 h ALA 54 N 1.70 -0.42 0.00 0.00 0.00 -1.91 -3.12 119.26 115.51 3in0 h ALA 54 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3in0 h ALA 54 Cb 0.02 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3in0 h ALA 54 CO -0.02 -0.69 -0.05 -0.44 0.00 0.00 0.00 179.25 178.04 3in0 h ASP 55 N -0.51 0.00 -0.79 0.00 3.32 -1.85 -3.35 116.42 113.25 3in0 h ASP 55 Ca -0.04 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.13 3in0 h ASP 55 Cb 0.38 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.80 3in0 h ASP 55 CO 0.07 0.05 -0.39 -0.03 -1.72 0.00 0.00 179.24 177.23 3in0 h MET 56 N 0.00 -0.09 0.00 3.56 1.85 -1.33 0.33 114.93 119.26 3in0 h MET 56 Ca -0.00 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 3in0 h MET 56 Cb 0.50 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 3in0 h MET 56 CO 0.01 -0.06 -0.15 0.37 -0.40 0.00 0.00 176.91 176.67 3in0 h GLN 57 N -0.09 0.00 0.05 0.39 5.75 -1.79 -0.56 115.11 118.86 3in0 h GLN 57 Ca 0.27 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3in0 h GLN 57 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3in0 h GLN 57 CO -0.83 0.15 -0.03 0.78 -2.65 0.00 0.00 178.83 176.26 3in0 h GLY 58 N 0.85 -0.08 0.98 2.39 0.00 -0.63 -2.40 103.07 104.19 3in0 h GLY 58 Ca -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3in0 h GLY 58 CO 0.02 -0.03 0.16 -2.08 0.00 0.00 0.00 176.54 174.61 3in0 h VAL 59 N -0.59 1.09 0.00 4.60 2.07 -0.88 -2.28 116.25 120.25 3in0 h VAL 59 Ca -0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3in0 h VAL 59 Cb 0.52 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3in0 h VAL 59 CO 0.01 0.08 -0.14 0.58 0.02 0.00 0.00 177.57 178.13 3in0 h VAL 60 N 0.33 1.02 0.00 2.57 2.07 -1.19 0.41 116.25 121.45 3in0 h VAL 60 Ca 0.09 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3in0 h VAL 60 Cb 0.00 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3in0 h VAL 60 CO -0.02 0.13 -0.00 0.74 0.02 0.00 0.00 177.57 178.44 3in0 h THR 61 N 0.00 1.68 0.00 2.57 2.02 -1.21 -2.74 112.91 115.23 3in0 h THR 61 Ca -0.00 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.02 3in0 h THR 61 Cb 0.25 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 3in0 h THR 61 CO 0.02 0.55 0.00 0.47 0.37 0.00 0.00 175.52 176.93 3in0 n ASP 62 N -4.65 0.61 -0.08 4.18 8.00 -0.88 -1.55 116.55 122.19 3in0 n ASP 62 Ca -0.09 0.68 -0.16 0.00 0.71 0.00 0.00 54.79 55.93 3in0 n ASP 62 Cb 0.44 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 3in0 n ASP 62 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3in0 h GLY 63 N 1.75 0.00 1.24 0.44 0.00 -0.97 -2.62 103.07 102.91 3in0 h GLY 63 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3in0 h GLY 63 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 3in0 h MET 64 N -1.00 0.91 0.00 4.80 -0.00 -1.42 -2.40 114.93 115.81 3in0 h MET 64 Ca -0.15 -0.29 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 3in0 h MET 64 Cb 1.03 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 3in0 h MET 64 CO -0.09 0.94 0.00 0.00 -0.00 0.00 0.00 176.91 177.75 3in0 n ALA 65 N -2.49 2.45 -0.08 -3.00 0.00 -0.60 -2.75 120.51 114.05 3in0 n ALA 65 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 3in0 n ALA 65 Cb 0.36 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 3in0 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3in0 n SER 66 N -0.98 0.48 0.00 0.00 7.64 -0.93 -5.00 113.62 114.83 3in0 n SER 66 Ca 0.18 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3in0 n SER 66 Cb 0.08 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3in0 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3in0 n GLY 67 N 1.77 2.60 0.19 0.23 0.00 -1.11 -4.44 105.19 104.44 3in0 n GLY 67 Ca -0.31 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 43.74 3in0 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3in0 h LEU 68 N 0.00 -0.44 -1.00 0.99 5.85 -1.89 0.13 115.31 118.95 3in0 h LEU 68 Ca 0.00 0.13 0.37 0.00 0.84 0.00 0.00 57.88 59.22 3in0 h LEU 68 Cb 0.00 0.28 -0.17 0.00 0.37 0.00 0.00 40.66 41.14 3in0 h LEU 68 CO 0.00 -0.16 0.53 -2.24 -0.34 0.00 0.00 178.44 176.23 3in0 h ASP 69 N -0.02 0.37 -0.69 1.25 3.04 -2.00 0.36 116.42 118.72 3in0 h ASP 69 Ca 0.20 0.23 -0.34 0.00 -3.24 0.00 0.00 57.03 53.88 3in0 h ASP 69 Cb 0.33 0.22 -0.20 0.00 -1.04 0.00 0.00 39.33 38.64 3in0 h ASP 69 CO -0.45 -0.30 0.30 0.29 -2.04 0.00 0.00 179.24 177.04 3in0 n LYS 70 N -5.18 2.23 -2.87 4.15 4.76 0.26 -4.93 118.16 116.59 3in0 n LYS 70 Ca 0.35 -3.09 -0.20 0.00 -2.87 0.00 0.00 58.31 52.50 3in0 n LYS 70 Cb 1.13 -2.03 0.01 0.00 -1.84 0.00 0.00 35.03 32.30 3in0 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3in0 n ASP 71 N -1.04 -4.84 -3.91 4.39 9.92 0.13 -2.14 116.55 119.05 3in0 n ASP 71 Ca 0.46 -0.15 -0.33 0.00 -0.53 0.00 0.00 54.79 54.24 3in0 n ASP 71 Cb 1.37 -4.00 0.01 0.00 -0.64 0.00 0.00 41.12 37.86 3in0 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3in0 n TYR 72 N -3.98 -1.65 -3.65 1.24 4.01 -0.16 -4.76 117.16 108.22 3in0 n TYR 72 Ca -0.12 0.46 -0.04 0.00 -0.16 0.00 0.00 57.90 58.04 3in0 n TYR 72 Cb 0.61 -3.31 -0.06 0.00 -0.31 0.00 0.00 39.34 36.27 3in0 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3in0 s LEU 73 N -6.94 -1.00 0.08 7.72 1.43 -0.91 -4.21 118.68 114.85 3in0 s LEU 73 Ca 0.30 1.48 -0.34 0.00 -1.03 0.00 0.00 54.13 54.55 3in0 s LEU 73 Cb -0.13 2.21 -0.13 0.00 0.03 0.00 0.00 46.19 48.18 3in0 s LEU 73 CO 0.91 -0.23 1.71 1.17 0.23 0.00 0.00 176.35 180.15 3in0 n LYS 74 N 5.02 2.26 -1.67 1.70 4.81 -1.18 -4.85 118.16 124.24 3in0 n LYS 74 Ca -0.15 0.82 -0.47 0.00 -0.87 0.00 0.00 58.31 57.65 3in0 n LYS 74 Cb 0.53 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.90 3in0 n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3in0 n PRO 75 N 4.77 2.17 -1.80 1.64 -0.02 -1.26 -1.22 135.00 139.27 3in0 n PRO 75 Ca 0.19 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.29 3in0 n PRO 75 Cb 0.30 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.15 3in0 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3in0 n ASP 76 N 4.52 -4.94 -4.66 2.55 9.92 -1.26 -4.91 116.55 117.77 3in0 n ASP 76 Ca 0.19 0.24 -0.44 0.00 -0.53 0.00 0.00 54.79 54.25 3in0 n ASP 76 Cb 0.29 -3.95 -0.04 0.00 -0.64 0.00 0.00 41.12 36.78 3in0 n ASP 76 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3in0 n ASP 77 N -0.85 3.83 0.00 -2.24 -0.08 -0.36 -4.81 116.55 112.05 3in0 n ASP 77 Ca -0.18 0.86 0.13 0.00 -1.51 0.00 0.00 54.79 54.09 3in0 n ASP 77 Cb 0.58 -1.47 0.61 0.00 2.34 0.00 0.00 41.12 43.17 3in0 n ASP 77 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3in0 n SER 78 N 7.65 0.00 0.04 1.67 7.64 -1.26 -3.18 113.62 126.18 3in0 n SER 78 Ca 0.22 0.32 0.13 0.00 1.01 0.00 0.00 58.87 60.55 3in0 n SER 78 Cb 0.37 -0.44 0.35 0.00 -1.01 0.00 0.00 64.21 63.49 3in0 n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3in0 n ARG 79 N -1.44 0.15 -2.50 1.43 1.74 -1.26 -4.76 116.66 110.03 3in0 n ARG 79 Ca 0.08 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 3in0 n ARG 79 Cb 0.28 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3in0 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3in0 s VAL 80 N -3.08 4.04 -0.14 1.55 1.01 -1.19 -4.47 120.40 118.12 3in0 s VAL 80 Ca 0.10 1.60 0.16 0.00 0.00 0.00 0.00 61.98 63.84 3in0 s VAL 80 Cb 0.15 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 3in0 s VAL 80 CO 0.64 0.20 0.13 -0.38 0.00 0.00 0.00 175.10 175.69 3in0 n ILE 81 N 3.16 0.94 -3.61 2.22 5.41 -0.72 -5.01 119.36 121.75 3in0 n ILE 81 Ca 0.06 -0.67 -0.04 0.00 1.00 0.00 0.00 62.75 63.09 3in0 n ILE 81 Cb 0.47 -0.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.95 3in0 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3in0 s ALA 82 N -2.60 -2.08 0.16 -1.39 0.00 -1.25 -4.91 121.76 109.69 3in0 s ALA 82 Ca -0.08 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 3in0 s ALA 82 Cb 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.57 3in0 s ALA 82 CO 0.72 -0.44 0.51 -3.38 0.00 0.00 0.00 175.76 173.17 3in0 s HIS 83 N -1.77 -0.32 0.80 0.00 -3.43 -1.26 -0.51 115.29 108.81 3in0 s HIS 83 Ca 0.08 0.04 -0.05 0.00 -0.80 0.00 0.00 55.06 54.32 3in0 s HIS 83 Cb -0.01 0.42 0.17 0.00 -1.43 0.00 0.00 32.58 31.73 3in0 s HIS 83 CO -0.05 -0.82 1.10 0.25 -2.00 0.00 0.00 174.74 173.22 3in0 n THR 84 N -0.32 0.00 -2.67 -5.38 -2.24 0.66 -4.76 114.28 99.58 3in0 n THR 84 Ca -0.15 -1.39 -0.22 0.00 -2.27 0.00 0.00 64.05 60.02 3in0 n THR 84 Cb 0.64 -1.08 0.09 0.00 -2.10 0.00 0.00 70.33 67.87 3in0 n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3in0 s LYS 85 N -5.35 1.94 -0.13 -0.78 1.02 -1.26 -4.62 119.74 110.57 3in0 s LYS 85 Ca 0.69 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 3in0 s LYS 85 Cb -0.03 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3in0 s LYS 85 CO 0.47 -1.21 1.04 -1.17 -0.92 0.00 0.00 175.35 173.55 3in0 s LEU 86 N -4.99 4.21 -0.09 3.17 2.96 -1.26 -4.25 118.68 118.43 3in0 s LEU 86 Ca 0.64 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 3in0 s LEU 86 Cb -0.06 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3in0 s LEU 86 CO 0.42 -0.52 -0.09 0.27 -1.32 0.00 0.00 176.35 175.11 3in0 s ILE 87 N 2.33 1.05 0.19 6.68 -4.36 0.97 -4.85 121.20 123.21 3in0 s ILE 87 Ca 0.48 -0.36 -0.03 0.00 -0.26 0.00 0.00 60.65 60.48 3in0 s ILE 87 Cb -0.18 -1.03 0.04 0.00 1.25 0.00 0.00 42.46 42.54 3in0 s ILE 87 CO 0.16 0.36 0.22 0.61 0.24 0.00 0.00 174.94 176.52 3in0 n GLY 88 N 4.49 -1.69 3.82 6.27 0.00 -1.26 -2.29 105.19 114.53 3in0 n GLY 88 Ca -0.17 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3in0 n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3in0 s SER 89 N -1.92 6.90 0.00 1.61 0.15 0.12 -2.66 113.70 117.90 3in0 s SER 89 Ca 0.13 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.46 3in0 s SER 89 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3in0 s SER 89 CO 0.09 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3in0 n GLY 90 N -0.74 2.83 3.30 9.45 0.00 -0.58 -4.81 105.19 114.64 3in0 n GLY 90 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3in0 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3in0 n GLU 91 N -2.00 -1.04 -3.61 1.61 1.02 -1.09 -4.98 120.64 110.55 3in0 n GLU 91 Ca 0.00 -1.80 -0.16 0.00 -0.02 0.00 0.00 57.16 55.18 3in0 n GLU 91 Cb 0.00 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3in0 n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3in0 s LYS 92 N -5.43 0.91 -0.30 3.49 2.20 -1.26 -4.01 119.74 115.33 3in0 s LYS 92 Ca 0.64 0.15 -0.08 0.00 -0.36 0.00 0.00 55.97 56.32 3in0 s LYS 92 Cb -0.02 0.42 0.18 0.00 -1.51 0.00 0.00 37.83 36.91 3in0 s LYS 92 CO 0.45 -0.27 0.86 0.34 -0.36 0.00 0.00 175.35 176.37 3in0 s ASP 93 N -1.13 -0.86 0.44 1.43 2.15 -1.01 -5.03 116.67 112.65 3in0 s ASP 93 Ca -0.11 0.52 0.03 0.00 0.43 0.00 0.00 52.55 53.42 3in0 s ASP 93 Cb -0.02 1.72 0.01 0.00 -0.30 0.00 0.00 42.92 44.32 3in0 s ASP 93 CO 0.08 -0.16 0.63 -0.44 -0.17 0.00 0.00 175.17 175.10 3in0 s SER 94 N 2.91 5.72 -0.08 -0.34 0.01 -1.26 -1.68 113.70 118.98 3in0 s SER 94 Ca 0.09 -0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 3in0 s SER 94 Cb -0.12 -1.18 0.04 0.00 0.21 0.00 0.00 66.02 64.96 3in0 s SER 94 CO -0.16 -0.74 0.20 0.54 0.41 0.00 0.00 173.24 173.49 3in0 s VAL 95 N -2.47 -0.03 -0.05 3.43 0.11 0.32 -4.84 120.40 116.86 3in0 s VAL 95 Ca 0.50 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 3in0 s VAL 95 Cb -0.10 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3in0 s VAL 95 CO 0.36 0.05 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.12 3in0 s THR 96 N 0.96 2.88 0.13 5.04 2.01 -1.26 0.19 115.64 125.59 3in0 s THR 96 Ca -0.07 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3in0 s THR 96 Cb -0.09 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 3in0 s THR 96 CO -0.06 0.58 0.10 0.72 -0.69 0.00 0.00 174.62 175.28 3in0 s PHE 97 N -0.58 0.71 -0.51 4.92 -0.71 -0.54 -4.97 117.98 116.29 3in0 s PHE 97 Ca 0.08 -1.10 -0.27 0.00 -1.04 0.00 0.00 56.93 54.61 3in0 s PHE 97 Cb -0.11 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 3in0 s PHE 97 CO 0.01 -0.55 1.97 0.34 -1.34 0.00 0.00 175.22 175.65 3in0 s ASP 98 N -3.01 5.24 0.56 1.98 -1.08 -1.26 -2.94 116.67 116.16 3in0 s ASP 98 Ca 0.20 0.76 0.29 0.00 -0.52 0.00 0.00 52.55 53.28 3in0 s ASP 98 Cb 0.07 -2.52 1.67 0.00 -1.46 0.00 0.00 42.92 40.67 3in0 s ASP 98 CO -0.00 -2.32 2.17 0.58 0.52 0.00 0.00 175.17 176.12 3in0 h VAL 99 N 7.04 0.53 0.00 1.11 2.07 -1.83 -1.19 116.25 123.99 3in0 h VAL 99 Ca -0.28 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3in0 h VAL 99 Cb 1.19 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3in0 h VAL 99 CO 1.16 0.05 0.00 -0.24 0.02 0.00 0.00 177.57 178.56 3in0 n SER 100 N -3.73 0.00 0.03 0.57 2.88 -1.26 -0.96 113.62 111.14 3in0 n SER 100 Ca -0.02 -0.10 0.12 0.00 -1.33 0.00 0.00 58.87 57.53 3in0 n SER 100 Cb 0.15 -0.12 0.23 0.00 -0.75 0.00 0.00 64.21 63.72 3in0 n SER 100 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3in0 n LYS 101 N -1.12 0.14 -2.84 -1.46 5.02 -0.45 -4.70 118.16 112.75 3in0 n LYS 101 Ca 0.06 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3in0 n LYS 101 Cb 0.05 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 3in0 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3in0 s LEU 102 N -3.58 4.17 0.47 -0.35 1.43 -0.13 -5.03 118.68 115.65 3in0 s LEU 102 Ca 0.09 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 3in0 s LEU 102 Cb 0.16 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 3in0 s LEU 102 CO 0.70 -1.30 0.98 -0.54 0.23 0.00 0.00 176.35 176.42 3in0 s LYS 103 N 4.02 4.04 -0.11 1.70 1.02 -1.26 -4.99 119.74 124.16 3in0 s LYS 103 Ca 0.28 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 3in0 s LYS 103 Cb -0.14 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3in0 s LYS 103 CO 0.16 -0.20 1.29 -2.00 -0.92 0.00 0.00 175.35 173.68 3in0 s GLU 104 N -3.47 4.27 0.00 1.68 2.56 -1.26 -2.97 118.70 119.51 3in0 s GLU 104 Ca 0.62 1.74 0.00 0.00 0.00 0.00 0.00 54.97 57.33 3in0 s GLU 104 Cb -0.11 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.32 3in0 s GLU 104 CO 0.20 -0.63 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 3in0 n GLY 105 N 3.58 0.45 3.80 -1.50 0.00 -1.26 -5.07 105.19 105.19 3in0 n GLY 105 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3in0 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3in0 s GLU 106 N -0.86 4.27 -0.21 1.61 2.12 -1.16 -5.04 118.70 119.43 3in0 s GLU 106 Ca 0.00 1.29 -0.18 0.00 0.36 0.00 0.00 54.97 56.43 3in0 s GLU 106 Cb 0.00 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 3in0 s GLU 106 CO 0.00 -0.01 0.52 -0.65 -0.54 0.00 0.00 175.26 174.58 3in0 s GLN 107 N -2.73 4.18 0.04 4.30 -0.21 -1.26 -4.90 119.66 119.07 3in0 s GLN 107 Ca 0.58 0.40 0.05 0.00 0.02 0.00 0.00 55.36 56.42 3in0 s GLN 107 Cb -0.15 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.25 3in0 s GLN 107 CO 0.20 -0.17 -0.11 0.71 -2.12 0.00 0.00 175.29 173.80 3in0 s TYR 108 N 1.70 2.76 -0.06 0.91 2.02 -1.25 -1.48 117.35 121.95 3in0 s TYR 108 Ca 0.24 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3in0 s TYR 108 Cb -0.15 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3in0 s TYR 108 CO 0.09 0.35 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.65 3in0 s MET 109 N -1.61 1.70 0.13 -0.62 -1.94 0.70 -2.01 119.30 115.65 3in0 s MET 109 Ca 0.17 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 3in0 s MET 109 Cb -0.11 -1.42 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 3in0 s MET 109 CO 0.08 0.07 0.06 -0.59 -0.01 0.00 0.00 175.02 174.64 3in0 s PHE 110 N 0.52 3.05 0.18 -0.03 -0.12 0.18 -2.84 117.98 118.93 3in0 s PHE 110 Ca -0.12 -0.03 -0.17 0.00 -0.05 0.00 0.00 56.93 56.56 3in0 s PHE 110 Cb -0.15 -1.51 0.06 0.00 -0.63 0.00 0.00 43.02 40.80 3in0 s PHE 110 CO 0.03 0.51 0.83 1.97 -0.05 0.00 0.00 175.22 178.51 3in0 n PHE 111 N 0.06 -1.39 -4.06 3.49 -1.74 -0.98 -1.09 117.46 111.75 3in0 n PHE 111 Ca -0.09 -1.15 -0.34 0.00 -0.56 0.00 0.00 57.45 55.32 3in0 n PHE 111 Cb 0.54 0.56 -0.15 0.00 1.52 0.00 0.00 39.48 41.94 3in0 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3in0 n THR 113 N 4.67 0.51 -1.01 0.00 -2.24 -1.26 -2.69 114.28 112.26 3in0 n THR 113 Ca -0.20 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 60.99 3in0 n THR 113 Cb 0.50 -0.56 0.09 0.00 -2.10 0.00 0.00 70.33 68.26 3in0 n THR 113 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3in0 n PRO 114 N -2.16 -0.02 -1.56 -0.78 -0.02 -1.26 -3.77 135.00 125.43 3in0 n PRO 114 Ca 0.06 0.04 -0.57 0.00 -2.02 0.00 0.00 63.50 61.01 3in0 n PRO 114 Cb 0.42 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 3in0 n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3in0 n PRO 115 N -0.88 0.86 0.00 0.52 -0.02 -1.26 -2.18 135.00 132.03 3in0 n PRO 115 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3in0 n PRO 115 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3in0 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in0 n GLY 116 N 5.43 2.71 0.34 -1.23 0.00 -1.26 -4.86 105.19 106.32 3in0 n GLY 116 Ca 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.33 3in0 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3in0 h HIS 117 N 0.00 1.17 -0.79 1.61 3.86 -1.67 -2.89 115.15 116.45 3in0 h HIS 117 Ca 0.00 -0.08 0.23 0.00 -1.16 0.00 0.00 60.37 59.36 3in0 h HIS 117 Cb 0.00 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.08 3in0 h HIS 117 CO 0.00 0.88 0.70 0.66 0.86 0.00 0.00 177.93 181.03 3in0 h SER 118 N 1.13 0.00 0.25 2.45 4.64 -1.67 1.46 113.55 121.81 3in0 h SER 118 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3in0 h SER 118 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3in0 h SER 118 CO -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.82 3in0 h ALA 119 N 1.33 -0.33 0.05 5.18 0.00 -1.85 -3.33 119.26 120.30 3in0 h ALA 119 Ca 0.37 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3in0 h ALA 119 Cb 1.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3in0 h ALA 119 CO -0.00 -0.57 -0.49 -0.07 0.00 0.00 0.00 179.25 178.11 3in0 h LEU 120 N -0.57 0.16 -8.09 0.00 -0.00 -1.42 -3.43 115.31 101.95 3in0 h LEU 120 Ca -0.03 -0.92 -0.65 0.00 -0.00 0.00 0.00 57.88 56.28 3in0 h LEU 120 Cb 0.42 -0.05 -0.15 0.00 -0.00 0.00 0.00 40.66 40.88 3in0 h LEU 120 CO 0.06 1.22 0.94 -1.10 -0.00 0.00 0.00 178.44 179.55 3in0 s GLN 121 N -2.32 3.46 -0.18 1.13 -0.21 0.49 -4.75 119.66 117.28 3in0 s GLN 121 Ca -0.19 -1.31 -0.34 0.00 0.02 0.00 0.00 55.36 53.54 3in0 s GLN 121 Cb -0.00 -4.83 0.14 0.00 1.00 0.00 0.00 33.01 29.32 3in0 s GLN 121 CO 0.72 -1.91 1.18 -1.59 -2.12 0.00 0.00 175.29 171.58 3in0 s LYS 122 N 3.71 0.34 0.00 2.91 0.00 -1.26 -2.34 119.74 123.10 3in0 s LYS 122 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.21 3in0 s LYS 122 Cb -0.07 0.16 0.00 0.00 0.00 0.00 0.00 37.83 37.92 3in0 s LYS 122 CO -0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.35 175.58 3in0 n GLY 123 N 0.02 -1.36 3.91 0.59 0.00 -0.25 -4.65 105.19 103.44 3in0 n GLY 123 Ca -0.01 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3in0 n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3in0 s THR 124 N -2.13 5.20 -0.08 2.61 -4.23 0.20 -0.64 115.64 116.56 3in0 s THR 124 Ca 0.00 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 3in0 s THR 124 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3in0 s THR 124 CO 0.00 -0.02 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.66 3in0 s LEU 125 N -2.97 1.90 -0.13 4.79 0.20 -0.85 0.19 118.68 121.81 3in0 s LEU 125 Ca 0.34 -0.43 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 3in0 s LEU 125 Cb -0.12 -1.13 0.03 0.00 -0.43 0.00 0.00 46.19 44.55 3in0 s LEU 125 CO 0.27 0.12 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.51 3in0 s THR 126 N 0.39 0.90 -0.61 3.68 2.01 -0.92 -3.85 115.64 117.23 3in0 s THR 126 Ca -0.14 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 3in0 s THR 126 Cb -0.16 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3in0 s THR 126 CO 0.06 0.23 1.94 -0.22 -0.69 0.00 0.00 174.62 175.94 3in0 s LEU 127 N 1.74 3.29 0.00 4.42 0.20 -1.26 -1.75 118.68 125.32 3in0 s LEU 127 Ca 0.03 0.37 0.00 0.00 0.69 0.00 0.00 54.13 55.22 3in0 s LEU 127 Cb -0.14 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.10 3in0 s LEU 127 CO -0.07 -2.48 0.02 2.29 -0.29 0.00 0.00 176.35 175.82