#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iwe s GLU 2 N 0.00 1.96 0.00 0.00 1.03 -1.26 -3.66 118.70 116.77 2iwe s GLU 2 Ca 0.00 0.90 0.00 0.00 0.03 0.00 0.00 54.97 55.90 2iwe s GLU 2 Cb 0.00 -1.88 0.00 0.00 -0.80 0.00 0.00 34.13 31.45 2iwe s GLU 2 CO 0.00 -1.78 0.00 0.00 -1.33 0.00 0.00 175.26 172.15 2iwe s SER 4 N -2.46 0.12 -0.11 0.00 1.04 -1.24 -0.89 113.70 110.17 2iwe s SER 4 Ca 0.00 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.63 2iwe s SER 4 Cb 0.00 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2iwe s SER 4 CO 0.00 -0.75 0.28 0.54 0.98 0.00 0.00 173.24 174.29 2iwe s VAL 5 N -3.88 -0.00 -0.15 5.02 0.11 -0.10 -4.93 120.40 116.47 2iwe s VAL 5 Ca 0.07 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 2iwe s VAL 5 Cb 0.05 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2iwe s VAL 5 CO -0.09 0.01 0.34 -1.81 -3.33 0.00 0.00 175.10 170.22 2iwe s ASP 6 N 0.28 6.51 -0.01 3.54 1.11 -1.26 -0.61 116.67 126.23 2iwe s ASP 6 Ca -0.01 0.60 -0.01 0.00 0.18 0.00 0.00 52.55 53.31 2iwe s ASP 6 Cb -0.03 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.75 2iwe s ASP 6 CO -0.01 0.08 0.02 -0.51 1.18 0.00 0.00 175.17 175.93 2iwe s ILE 7 N 0.48 -0.01 0.02 0.77 2.07 0.24 -4.95 121.20 119.83 2iwe s ILE 7 Ca 0.19 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.53 2iwe s ILE 7 Cb -0.14 -0.04 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 2iwe s ILE 7 CO 0.06 0.01 -0.23 -1.10 -1.91 0.00 0.00 174.94 171.76 2iwe s GLN 8 N 0.11 1.69 -0.14 3.50 -0.21 -1.26 -1.46 119.66 121.90 2iwe s GLN 8 Ca -0.01 -0.96 0.02 0.00 0.02 0.00 0.00 55.36 54.44 2iwe s GLN 8 Cb -0.01 -1.77 0.01 0.00 1.00 0.00 0.00 33.01 32.24 2iwe s GLN 8 CO -0.00 0.47 -0.20 0.20 -2.12 0.00 0.00 175.29 173.63 2iwe s GLY 9 N -0.97 1.28 0.55 3.09 0.00 -0.93 -0.64 107.32 109.70 2iwe s GLY 9 Ca 0.09 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.85 2iwe s GLY 9 CO 0.01 0.11 0.55 1.16 0.00 0.00 0.00 173.10 174.93 2iwe n ASN 10 N 4.23 2.46 0.00 1.64 0.23 -0.90 -4.03 115.26 118.88 2iwe n ASN 10 Ca -0.20 -2.71 0.01 0.00 -0.53 0.00 0.00 54.58 51.16 2iwe n ASN 10 Cb 0.51 -0.19 0.09 0.00 -2.08 0.00 0.00 39.78 38.11 2iwe n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2iwe n ASP 11 N -2.04 0.00 -0.50 0.53 8.00 -1.26 -1.67 116.55 119.61 2iwe n ASP 11 Ca 0.05 -0.55 0.05 0.00 0.71 0.00 0.00 54.79 55.06 2iwe n ASP 11 Cb 0.60 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.78 2iwe n ASP 11 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2iwe n GLN 12 N -0.65 1.31 -2.77 -1.24 -0.06 -1.26 -4.97 117.38 107.75 2iwe n GLN 12 Ca 0.02 -1.45 -0.17 0.00 -2.00 0.00 0.00 57.00 53.40 2iwe n GLN 12 Cb 0.01 -1.23 0.02 0.00 -4.06 0.00 0.00 30.24 24.99 2iwe n GLN 12 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 2iwe n MET 13 N 0.57 -3.45 -4.45 3.69 2.81 -0.67 -5.02 117.12 110.62 2iwe n MET 13 Ca 0.08 0.70 -0.32 0.00 -1.81 0.00 0.00 57.70 56.35 2iwe n MET 13 Cb 0.32 -5.09 -0.16 0.00 -0.71 0.00 0.00 33.22 27.58 2iwe n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2iwe s GLN 14 N -5.34 2.79 0.39 0.03 -0.21 -1.26 -4.70 119.66 111.36 2iwe s GLN 14 Ca 0.20 -0.76 -0.24 0.00 0.02 0.00 0.00 55.36 54.58 2iwe s GLN 14 Cb -0.09 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.50 2iwe s GLN 14 CO 0.25 -0.09 1.05 -0.06 -2.12 0.00 0.00 175.29 174.32 2iwe s PHE 15 N 1.02 3.30 -1.56 0.91 0.08 -1.25 -2.13 117.98 118.35 2iwe s PHE 15 Ca -0.03 1.65 0.27 0.00 0.12 0.00 0.00 56.93 58.94 2iwe s PHE 15 Cb -0.15 -3.13 1.40 0.00 -0.57 0.00 0.00 43.02 40.58 2iwe s PHE 15 CO -0.05 -0.59 1.92 0.27 -0.10 0.00 0.00 175.22 176.67 2iwe n ASN 16 N 0.03 0.00 -3.88 1.36 6.94 0.19 -4.74 115.26 115.16 2iwe n ASN 16 Ca 0.04 -0.26 -0.10 0.00 -0.02 0.00 0.00 54.58 54.24 2iwe n ASN 16 Cb 0.49 -0.22 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 2iwe n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2iwe s THR 17 N -2.44 0.11 -0.00 5.53 -1.32 -1.26 -4.99 115.64 111.27 2iwe s THR 17 Ca 0.29 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 2iwe s THR 17 Cb 0.18 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 2iwe s THR 17 CO 0.38 -0.52 0.69 -0.46 -2.21 0.00 0.00 174.62 172.51 2iwe n ASN 18 N 0.84 0.77 -3.65 8.08 0.23 -1.26 -4.92 115.26 115.36 2iwe n ASN 18 Ca -0.20 -1.39 -0.23 0.00 -0.53 0.00 0.00 54.58 52.23 2iwe n ASN 18 Cb 0.58 -0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.11 2iwe n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2iwe s ALA 19 N -0.39 0.36 -0.11 -2.53 0.00 -1.26 -0.98 121.76 116.84 2iwe s ALA 19 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 2iwe s ALA 19 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2iwe s ALA 19 CO 0.00 -0.84 -0.04 0.42 0.00 0.00 0.00 175.76 175.30 2iwe s ILE 20 N 2.14 3.93 -0.18 0.00 1.01 0.08 -4.97 121.20 123.21 2iwe s ILE 20 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2iwe s ILE 20 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2iwe s ILE 20 CO -0.06 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.39 2iwe s THR 21 N -0.30 2.55 -0.17 2.92 2.01 -1.26 -2.23 115.64 119.17 2iwe s THR 21 Ca 0.05 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 2iwe s THR 21 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2iwe s THR 21 CO 0.02 0.51 0.35 -0.69 -0.69 0.00 0.00 174.62 174.12 2iwe s VAL 22 N 1.14 5.26 -0.04 3.82 1.01 -0.24 -4.96 120.40 126.39 2iwe s VAL 22 Ca 0.01 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2iwe s VAL 22 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2iwe s VAL 22 CO -0.06 0.34 1.53 -0.62 0.00 0.00 0.00 175.10 176.28 2iwe s ASP 23 N 0.68 6.75 0.59 3.32 -1.08 -1.26 -1.99 116.67 123.68 2iwe s ASP 23 Ca 0.19 2.16 0.32 0.00 -0.52 0.00 0.00 52.55 54.70 2iwe s ASP 23 Cb -0.14 -2.55 1.24 0.00 -1.46 0.00 0.00 42.92 40.02 2iwe s ASP 23 CO 0.06 -0.84 1.52 0.50 0.52 0.00 0.00 175.17 176.93 2iwe h LYS 24 N 8.69 0.00 -0.48 4.34 3.64 -1.58 -1.30 116.57 129.88 2iwe h LYS 24 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2iwe h LYS 24 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2iwe h LYS 24 CO 0.94 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.99 2iwe n SER 25 N -3.54 3.71 -4.74 4.20 3.41 -1.26 -4.91 113.62 110.48 2iwe n SER 25 Ca 0.24 -2.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.19 2iwe n SER 25 Cb 1.42 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.91 2iwe n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iwe h LYS 27 N 4.91 0.61 -4.90 0.00 3.64 -1.91 -3.42 116.57 115.50 2iwe h LYS 27 Ca -0.44 -0.68 -0.31 0.00 -1.27 0.00 0.00 60.65 57.95 2iwe h LYS 27 Cb 1.21 0.20 -0.18 0.00 -0.41 0.00 0.00 32.23 33.05 2iwe h LYS 27 CO 0.70 1.27 -0.73 -0.65 -2.27 0.00 0.00 179.45 177.77 2iwe s GLN 28 N -3.23 0.82 0.01 1.90 -0.21 -1.26 -1.59 119.66 116.10 2iwe s GLN 28 Ca -0.11 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.18 2iwe s GLN 28 Cb 0.06 -0.48 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 2iwe s GLN 28 CO 0.89 0.07 -0.18 0.12 -2.12 0.00 0.00 175.29 174.07 2iwe s PHE 29 N -2.49 1.63 -0.10 0.91 5.36 -0.09 -4.82 117.98 118.38 2iwe s PHE 29 Ca 0.05 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2iwe s PHE 29 Cb -0.02 -1.02 0.01 0.00 -0.34 0.00 0.00 43.02 41.65 2iwe s PHE 29 CO -0.00 0.02 -0.17 0.99 -1.46 0.00 0.00 175.22 174.59 2iwe s THR 30 N -0.59 1.58 -0.21 0.12 2.01 -0.07 -1.09 115.64 117.39 2iwe s THR 30 Ca 0.06 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2iwe s THR 30 Cb -0.08 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2iwe s THR 30 CO 0.00 0.45 0.00 -0.69 -0.69 0.00 0.00 174.62 173.70 2iwe s VAL 31 N 0.74 3.90 -0.44 3.82 1.01 -0.20 -0.93 120.40 128.31 2iwe s VAL 31 Ca -0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2iwe s VAL 31 Cb -0.16 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.53 2iwe s VAL 31 CO 0.02 0.41 0.30 0.20 0.00 0.00 0.00 175.10 176.03 2iwe s ASN 32 N 1.20 5.75 -0.16 3.32 0.01 0.22 -1.41 114.94 123.87 2iwe s ASN 32 Ca 0.03 -1.53 -0.08 0.00 -0.71 0.00 0.00 52.86 50.58 2iwe s ASN 32 Cb -0.15 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2iwe s ASN 32 CO 0.01 -0.58 0.11 -0.22 -1.51 0.00 0.00 177.10 174.90 2iwe s LEU 33 N 1.46 4.11 0.18 0.60 2.96 -0.24 -0.59 118.68 127.16 2iwe s LEU 33 Ca 0.03 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2iwe s LEU 33 Cb -0.24 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2iwe s LEU 33 CO 0.03 0.26 0.04 -0.94 -1.32 0.00 0.00 176.35 174.42 2iwe s SER 34 N -0.12 0.92 -0.32 3.68 1.04 -0.53 -1.42 113.70 116.95 2iwe s SER 34 Ca 0.09 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 2iwe s SER 34 Cb -0.12 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.29 2iwe s SER 34 CO 0.01 -0.66 0.11 -2.28 0.98 0.00 0.00 173.24 171.40 2iwe s HIS 35 N -3.81 1.54 0.00 5.02 2.46 -1.16 -2.19 115.29 117.16 2iwe s HIS 35 Ca 0.28 -1.68 0.00 0.00 0.47 0.00 0.00 55.06 54.13 2iwe s HIS 35 Cb 0.07 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.90 2iwe s HIS 35 CO 0.06 -0.87 0.00 -2.30 -2.47 0.00 0.00 174.74 169.17 2iwe n PRO 36 N 4.79 0.94 -1.18 2.88 -0.02 -1.26 -1.04 135.00 140.11 2iwe n PRO 36 Ca -0.01 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.62 2iwe n PRO 36 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.85 2iwe n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iwe n GLY 37 N 2.99 -2.16 0.09 -1.23 0.00 -1.26 -4.44 105.19 99.18 2iwe n GLY 37 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.84 2iwe n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iwe n ASN 38 N -3.83 0.88 -4.79 1.61 3.02 -1.26 -4.23 115.26 106.67 2iwe n ASN 38 Ca -0.01 -0.94 -0.38 0.00 -0.03 0.00 0.00 54.58 53.21 2iwe n ASN 38 Cb 0.55 0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 40.01 2iwe n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2iwe s LEU 39 N -0.95 4.50 0.94 3.41 1.43 -1.26 -4.81 118.68 121.93 2iwe s LEU 39 Ca 0.03 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 2iwe s LEU 39 Cb 0.03 -3.40 0.15 0.00 0.03 0.00 0.00 46.19 43.00 2iwe s LEU 39 CO 0.07 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 2iwe s PRO 40 N -1.45 0.93 0.26 1.29 0.04 -1.26 -1.78 135.00 133.03 2iwe s PRO 40 Ca 0.38 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 2iwe s PRO 40 Cb -0.21 -1.78 0.50 0.00 0.04 0.00 0.00 34.50 33.06 2iwe s PRO 40 CO 0.24 -2.43 1.80 -0.22 0.04 0.00 0.00 177.00 176.42 2iwe h LYS 41 N -1.68 0.76 0.00 4.56 3.64 -1.87 -1.08 116.57 120.89 2iwe h LYS 41 Ca -0.51 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2iwe h LYS 41 Cb 1.30 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2iwe h LYS 41 CO 0.56 0.51 0.00 0.27 -2.27 0.00 0.00 179.45 178.51 2iwe n ASN 42 N -4.75 0.00 -0.04 4.20 6.94 -1.26 -1.17 115.26 119.18 2iwe n ASN 42 Ca 0.17 -0.53 -0.08 0.00 -0.02 0.00 0.00 54.58 54.11 2iwe n ASN 42 Cb 0.37 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.64 2iwe n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2iwe n VAL 43 N -1.12 0.45 -2.50 3.53 0.31 -0.72 -4.86 118.33 113.41 2iwe n VAL 43 Ca 0.17 -0.12 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 2iwe n VAL 43 Cb 0.14 -1.45 0.03 0.00 -0.91 0.00 0.00 33.84 31.65 2iwe n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2iwe n MET 44 N -3.24 2.48 -1.85 5.55 0.00 -0.49 -5.03 117.12 114.54 2iwe n MET 44 Ca -0.16 -3.85 -0.40 0.00 -0.00 0.00 0.00 57.70 53.29 2iwe n MET 44 Cb 0.62 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 32.00 2iwe n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2iwe s GLY 45 N -3.53 2.94 -0.03 -5.12 0.00 -0.31 -4.82 107.32 96.44 2iwe s GLY 45 Ca 0.38 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.59 2iwe s GLY 45 CO -0.03 2.12 -0.05 0.30 0.00 0.00 0.00 173.10 175.43 2iwe s HIS 46 N -1.17 0.72 0.33 1.90 3.76 -0.82 -4.71 115.29 115.31 2iwe s HIS 46 Ca 0.56 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 55.37 2iwe s HIS 46 Cb -0.44 -0.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.58 2iwe s HIS 46 CO 0.58 -0.15 -0.06 0.54 -0.85 0.00 0.00 174.74 174.80 2iwe s ASN 47 N 0.65 3.37 -0.22 1.40 2.20 -1.26 -1.27 114.94 119.81 2iwe s ASN 47 Ca -0.09 -1.23 -0.04 0.00 -0.94 0.00 0.00 52.86 50.57 2iwe s ASN 47 Cb -0.12 -0.28 -0.01 0.00 -2.00 0.00 0.00 41.25 38.84 2iwe s ASN 47 CO 0.00 -0.30 -0.05 0.86 -2.94 0.00 0.00 177.10 174.68 2iwe s TRP 48 N -2.79 2.95 -0.05 1.54 -0.00 -1.26 -3.70 118.94 115.63 2iwe s TRP 48 Ca 0.32 -0.92 0.02 0.00 -0.00 0.00 0.00 56.10 55.52 2iwe s TRP 48 Cb 0.04 -2.09 0.01 0.00 -0.00 0.00 0.00 33.47 31.43 2iwe s TRP 48 CO 0.15 -0.53 -0.11 0.08 -0.00 0.00 0.00 176.95 176.55 2iwe s VAL 49 N 1.41 0.97 -0.13 5.86 1.01 -0.57 -0.92 120.40 128.04 2iwe s VAL 49 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2iwe s VAL 49 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2iwe s VAL 49 CO -0.03 0.31 -0.16 -0.22 0.00 0.00 0.00 175.10 175.00 2iwe s LEU 50 N 0.54 2.51 0.32 3.92 2.96 0.47 -1.76 118.68 127.63 2iwe s LEU 50 Ca -0.10 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 2iwe s LEU 50 Cb -0.13 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.01 2iwe s LEU 50 CO 0.02 0.15 0.49 -0.94 -1.32 0.00 0.00 176.35 174.75 2iwe s SER 51 N 0.43 0.57 0.74 3.68 1.04 -0.81 0.15 113.70 119.50 2iwe s SER 51 Ca -0.12 -1.32 -0.14 0.00 0.48 0.00 0.00 55.95 54.84 2iwe s SER 51 Cb -0.16 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2iwe s SER 51 CO 0.06 -1.28 1.18 0.42 0.98 0.00 0.00 173.24 174.60 2iwe s THR 52 N -3.26 2.51 0.24 2.02 -4.23 -1.26 -0.32 115.64 111.33 2iwe s THR 52 Ca 0.28 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.97 2iwe s THR 52 Cb -0.01 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.32 2iwe s THR 52 CO 0.16 -0.15 1.83 0.00 -0.54 0.00 0.00 174.62 175.92 2iwe h ALA 53 N -0.46 1.17 -0.35 3.99 0.00 -1.26 -2.14 119.26 120.22 2iwe h ALA 53 Ca -0.47 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2iwe h ALA 53 Cb 1.28 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2iwe h ALA 53 CO 0.50 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 2iwe h ALA 54 N 1.43 0.27 -0.03 0.00 0.00 -1.91 -3.08 119.26 115.93 2iwe h ALA 54 Ca 0.39 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.23 2iwe h ALA 54 Cb 0.28 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2iwe h ALA 54 CO -0.21 -0.43 -0.78 -0.44 0.00 0.00 0.00 179.25 177.39 2iwe h ASP 55 N 0.04 0.33 -0.63 0.00 3.32 -1.78 -3.37 116.42 114.33 2iwe h ASP 55 Ca 0.17 -0.23 0.12 0.00 0.02 0.00 0.00 57.03 57.11 2iwe h ASP 55 Cb 0.25 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 39.58 2iwe h ASP 55 CO -0.32 0.98 -0.16 0.80 -1.72 0.00 0.00 179.24 178.81 2iwe n MET 56 N -3.76 -0.06 0.14 3.56 0.00 -0.86 -0.87 117.12 115.26 2iwe n MET 56 Ca -0.04 0.99 -0.13 0.00 -0.00 0.00 0.00 57.70 58.52 2iwe n MET 56 Cb 0.74 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 32.42 2iwe n MET 56 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2iwe h GLN 57 N 0.00 -0.41 -0.47 2.12 5.75 -1.78 -1.28 115.11 119.04 2iwe h GLN 57 Ca 0.30 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.75 2iwe h GLN 57 Cb 0.46 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 2iwe h GLN 57 CO -0.65 -0.27 -0.02 0.78 -2.65 0.00 0.00 178.83 176.02 2iwe h GLY 58 N -0.42 0.85 0.98 2.39 0.00 -1.28 -1.42 103.07 104.17 2iwe h GLY 58 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2iwe h GLY 58 CO -0.05 0.54 0.28 -2.08 0.00 0.00 0.00 176.54 175.23 2iwe h VAL 59 N 0.73 1.19 -0.38 4.60 2.07 -1.26 -0.94 116.25 122.26 2iwe h VAL 59 Ca 0.14 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2iwe h VAL 59 Cb 0.48 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2iwe h VAL 59 CO 0.02 0.20 0.09 0.58 0.02 0.00 0.00 177.57 178.49 2iwe h VAL 60 N 0.72 1.23 -0.07 2.57 2.07 -0.82 0.11 116.25 122.06 2iwe h VAL 60 Ca 0.19 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2iwe h VAL 60 Cb 0.07 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2iwe h VAL 60 CO -0.03 0.27 -0.01 0.74 0.02 0.00 0.00 177.57 178.56 2iwe h THR 61 N 0.47 1.28 -0.02 2.57 2.02 -1.08 -0.35 112.91 117.80 2iwe h THR 61 Ca 0.12 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2iwe h THR 61 Cb 0.32 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2iwe h THR 61 CO 0.00 0.24 -0.38 0.44 0.37 0.00 0.00 175.52 176.20 2iwe h ASP 62 N -0.19 0.05 -0.02 4.18 3.32 -1.22 -2.21 116.42 120.33 2iwe h ASP 62 Ca 0.02 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iwe h ASP 62 Cb 0.39 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2iwe h ASP 62 CO 0.01 0.42 -0.00 1.23 -1.72 0.00 0.00 179.24 179.18 2iwe h GLY 63 N 1.15 0.05 1.86 2.75 0.00 -0.43 -2.79 103.07 105.65 2iwe h GLY 63 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2iwe h GLY 63 CO 0.05 0.03 -0.06 -0.33 0.00 0.00 0.00 176.54 176.23 2iwe h MET 64 N -0.28 0.18 0.00 4.80 2.86 -1.02 -0.93 114.93 120.53 2iwe h MET 64 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2iwe h MET 64 Cb 0.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2iwe h MET 64 CO 0.00 0.26 0.00 0.00 1.06 0.00 0.00 176.91 178.23 2iwe n ALA 65 N -2.50 2.48 -0.05 6.32 0.00 -0.84 -3.26 120.51 122.66 2iwe n ALA 65 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.36 2iwe n ALA 65 Cb 0.20 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.26 2iwe n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2iwe n SER 66 N -0.75 0.04 0.00 0.00 7.64 -0.36 -5.04 113.62 115.15 2iwe n SER 66 Ca 0.11 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2iwe n SER 66 Cb 0.05 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 2iwe n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iwe n GLY 67 N 1.47 -0.35 0.26 0.23 0.00 -1.20 -4.35 105.19 101.25 2iwe n GLY 67 Ca -0.16 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.14 2iwe n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2iwe h LEU 68 N 0.00 0.32 -2.16 0.99 5.85 -1.93 -2.05 115.31 116.33 2iwe h LEU 68 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2iwe h LEU 68 Cb 0.00 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2iwe h LEU 68 CO 0.00 0.39 -0.01 0.44 -0.34 0.00 0.00 178.44 178.92 2iwe h ASP 69 N 0.33 0.00 -0.58 1.25 5.19 -2.01 -2.15 116.42 118.46 2iwe h ASP 69 Ca 0.08 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2iwe h ASP 69 Cb 0.26 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 2iwe h ASP 69 CO 0.01 0.01 0.08 0.29 -3.12 0.00 0.00 179.24 176.51 2iwe n LYS 70 N -4.26 4.18 -2.03 3.56 4.76 -0.83 -4.90 118.16 118.64 2iwe n LYS 70 Ca -0.03 -3.10 -0.11 0.00 -2.87 0.00 0.00 58.31 52.20 2iwe n LYS 70 Cb 0.09 -2.18 -0.02 0.00 -1.84 0.00 0.00 35.03 31.08 2iwe n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2iwe n ASP 71 N 0.16 -3.31 -3.70 4.39 9.92 -0.81 -1.09 116.55 122.12 2iwe n ASP 71 Ca 0.31 0.24 -0.27 0.00 -0.53 0.00 0.00 54.79 54.55 2iwe n ASP 71 Cb 1.22 -2.94 0.04 0.00 -0.64 0.00 0.00 41.12 38.79 2iwe n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2iwe n TYR 72 N -2.71 -2.42 -4.64 1.24 4.01 -0.84 -4.76 117.16 107.03 2iwe n TYR 72 Ca -0.12 0.88 -0.24 0.00 -0.16 0.00 0.00 57.90 58.25 2iwe n TYR 72 Cb 0.51 -4.28 -0.14 0.00 -0.31 0.00 0.00 39.34 35.12 2iwe n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2iwe s LEU 73 N -7.19 2.13 0.07 7.72 1.43 -0.25 -4.13 118.68 118.45 2iwe s LEU 73 Ca 0.59 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.95 2iwe s LEU 73 Cb -0.29 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 2iwe s LEU 73 CO 0.73 0.15 1.53 -0.75 0.23 0.00 0.00 176.35 178.25 2iwe s LYS 74 N -0.92 4.24 -0.02 1.70 2.20 -1.26 -4.81 119.74 120.86 2iwe s LYS 74 Ca 0.06 2.19 -0.36 0.00 -0.36 0.00 0.00 55.97 57.50 2iwe s LYS 74 Cb -0.08 -3.49 -0.15 0.00 -1.51 0.00 0.00 37.83 32.60 2iwe s LYS 74 CO 0.01 -0.63 1.63 -2.30 -0.36 0.00 0.00 175.35 173.69 2iwe n PRO 75 N 5.13 1.66 -3.64 4.03 -0.02 -1.26 -2.04 135.00 138.85 2iwe n PRO 75 Ca 0.14 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.99 2iwe n PRO 75 Cb 0.41 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 2iwe n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2iwe n ASP 76 N 4.41 -4.38 -4.60 2.55 8.00 -1.26 -4.90 116.55 116.36 2iwe n ASP 76 Ca 0.21 -0.65 -0.43 0.00 0.71 0.00 0.00 54.79 54.63 2iwe n ASP 76 Cb 0.23 -4.68 -0.02 0.00 -0.02 0.00 0.00 41.12 36.62 2iwe n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2iwe s ASP 77 N -3.69 6.44 0.00 -2.24 -1.08 -0.87 -4.85 116.67 110.38 2iwe s ASP 77 Ca 0.39 0.80 0.17 0.00 -0.52 0.00 0.00 52.55 53.40 2iwe s ASP 77 Cb -0.18 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.75 2iwe s ASP 77 CO 0.76 -1.35 1.62 -1.54 0.52 0.00 0.00 175.17 175.18 2iwe n SER 78 N 8.48 0.00 0.03 -0.34 3.41 -1.26 -2.31 113.62 121.63 2iwe n SER 78 Ca 0.15 -1.36 0.12 0.00 -0.26 0.00 0.00 58.87 57.52 2iwe n SER 78 Cb 0.48 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.58 2iwe n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2iwe n ARG 79 N -0.78 0.20 -2.79 4.33 1.74 -1.26 -4.81 116.66 113.28 2iwe n ARG 79 Ca 0.13 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 2iwe n ARG 79 Cb 0.06 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 2iwe n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2iwe s VAL 80 N -3.12 4.25 0.09 1.55 1.01 -0.98 -4.50 120.40 118.69 2iwe s VAL 80 Ca 0.07 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2iwe s VAL 80 Cb 0.15 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 2iwe s VAL 80 CO 0.74 -1.38 1.56 0.40 0.00 0.00 0.00 175.10 176.41 2iwe h ILE 81 N 6.01 1.23 -2.58 2.22 2.04 -0.61 -3.46 117.51 122.37 2iwe h ILE 81 Ca -0.27 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2iwe h ILE 81 Cb 1.07 1.27 -0.17 0.00 -0.74 0.00 0.00 36.82 38.25 2iwe h ILE 81 CO 1.16 0.25 0.08 0.00 0.00 0.00 0.00 178.15 179.64 2iwe s ALA 82 N -5.15 -1.46 0.05 1.87 0.00 -1.19 -5.01 121.76 110.87 2iwe s ALA 82 Ca -0.14 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 2iwe s ALA 82 Cb 0.08 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.54 2iwe s ALA 82 CO 0.74 -0.48 0.45 -3.38 0.00 0.00 0.00 175.76 173.09 2iwe s HIS 83 N -2.14 -0.32 0.63 0.00 -3.43 -1.26 -0.40 115.29 108.37 2iwe s HIS 83 Ca -0.07 0.30 0.07 0.00 -0.80 0.00 0.00 55.06 54.56 2iwe s HIS 83 Cb -0.01 0.27 0.11 0.00 -1.43 0.00 0.00 32.58 31.51 2iwe s HIS 83 CO 0.01 -0.60 0.86 0.95 -2.00 0.00 0.00 174.74 173.96 2iwe s THR 84 N -2.53 2.08 0.85 -5.38 -4.23 -0.10 -4.85 115.64 101.48 2iwe s THR 84 Ca -0.05 -0.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 2iwe s THR 84 Cb -0.01 -2.18 0.10 0.00 1.34 0.00 0.00 72.50 71.76 2iwe s THR 84 CO -0.03 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.61 2iwe s LYS 85 N -4.81 1.66 -0.11 3.99 -0.14 -1.26 -4.66 119.74 114.40 2iwe s LYS 85 Ca 0.64 0.91 -0.25 0.00 -1.36 0.00 0.00 55.97 55.91 2iwe s LYS 85 Cb -0.05 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.22 2iwe s LYS 85 CO 0.41 -1.98 0.78 -1.17 -0.76 0.00 0.00 175.35 172.63 2iwe s LEU 86 N -6.08 4.25 0.14 3.17 2.96 -1.26 -4.36 118.68 117.49 2iwe s LEU 86 Ca 0.62 1.21 0.11 0.00 -0.22 0.00 0.00 54.13 55.85 2iwe s LEU 86 Cb -0.17 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 2iwe s LEU 86 CO 0.56 -0.27 -0.26 0.27 -1.32 0.00 0.00 176.35 175.34 2iwe s ILE 87 N 1.50 2.33 0.00 6.68 -4.36 -0.40 -4.92 121.20 122.03 2iwe s ILE 87 Ca 0.39 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 2iwe s ILE 87 Cb -0.17 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.49 2iwe s ILE 87 CO 0.16 0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.02 2iwe n GLY 88 N 0.82 2.22 3.76 6.27 0.00 -1.26 -1.94 105.19 115.06 2iwe n GLY 88 Ca -0.17 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 2iwe n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iwe s SER 89 N -0.95 6.51 0.00 1.61 1.04 -0.73 -2.27 113.70 118.90 2iwe s SER 89 Ca 0.00 2.85 0.00 0.00 0.48 0.00 0.00 55.95 59.28 2iwe s SER 89 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2iwe s SER 89 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2iwe n GLY 90 N 1.55 2.60 3.94 7.32 0.00 -0.21 -4.97 105.19 115.43 2iwe n GLY 90 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2iwe n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iwe s GLU 91 N -0.20 1.24 -0.29 1.61 2.02 -0.96 -4.89 118.70 117.23 2iwe s GLU 91 Ca 0.00 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 2iwe s GLU 91 Cb 0.00 -2.02 0.12 0.00 0.10 0.00 0.00 34.13 32.33 2iwe s GLU 91 CO 0.00 -1.93 0.79 0.21 0.02 0.00 0.00 175.26 174.34 2iwe s LYS 92 N -5.59 0.53 -0.04 1.61 2.47 -1.26 -2.97 119.74 114.49 2iwe s LYS 92 Ca 0.69 1.10 -0.05 0.00 -1.56 0.00 0.00 55.97 56.14 2iwe s LYS 92 Cb -0.06 0.42 0.01 0.00 -1.46 0.00 0.00 37.83 36.74 2iwe s LYS 92 CO 0.49 -0.14 0.14 0.34 0.16 0.00 0.00 175.35 176.34 2iwe s ASP 93 N 2.14 -0.11 0.23 1.43 2.15 -0.51 -5.03 116.67 116.97 2iwe s ASP 93 Ca -0.07 0.19 0.10 0.00 0.43 0.00 0.00 52.55 53.20 2iwe s ASP 93 Cb -0.07 0.28 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 2iwe s ASP 93 CO -0.18 -0.12 -0.11 -0.44 -0.17 0.00 0.00 175.17 174.15 2iwe s SER 94 N -0.23 4.10 -0.09 -0.34 0.01 -1.26 -1.08 113.70 114.81 2iwe s SER 94 Ca -0.03 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 2iwe s SER 94 Cb -0.02 -0.61 0.05 0.00 0.21 0.00 0.00 66.02 65.64 2iwe s SER 94 CO 0.00 0.06 0.21 0.54 0.41 0.00 0.00 173.24 174.46 2iwe s VAL 95 N -2.07 -0.13 0.04 3.43 0.11 -0.50 -4.87 120.40 116.42 2iwe s VAL 95 Ca 0.27 0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2iwe s VAL 95 Cb -0.07 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 2iwe s VAL 95 CO 0.16 0.08 0.04 -0.89 -3.33 0.00 0.00 175.10 171.16 2iwe s THR 96 N 1.53 4.34 0.05 5.04 2.01 -1.26 -1.03 115.64 126.32 2iwe s THR 96 Ca -0.06 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 2iwe s THR 96 Cb -0.11 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.40 2iwe s THR 96 CO -0.07 0.24 0.33 0.72 -0.69 0.00 0.00 174.62 175.15 2iwe s PHE 97 N -1.25 -0.14 0.06 4.92 -0.71 -0.25 -4.95 117.98 115.67 2iwe s PHE 97 Ca 0.24 0.01 -0.31 0.00 -1.04 0.00 0.00 56.93 55.83 2iwe s PHE 97 Cb -0.12 0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.75 2iwe s PHE 97 CO 0.16 -0.53 1.52 -0.51 -1.34 0.00 0.00 175.22 174.52 2iwe s ASP 98 N -2.12 6.72 0.59 1.98 1.01 -1.26 -0.92 116.67 122.67 2iwe s ASP 98 Ca -0.04 2.34 0.38 0.00 0.71 0.00 0.00 52.55 55.94 2iwe s ASP 98 Cb -0.00 -2.57 1.74 0.00 1.01 0.00 0.00 42.92 43.10 2iwe s ASP 98 CO -0.04 -0.79 2.12 0.58 0.21 0.00 0.00 175.17 177.25 2iwe h VAL 99 N 4.69 0.01 0.00 -1.27 2.07 -1.54 -1.71 116.25 118.49 2iwe h VAL 99 Ca -0.41 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2iwe h VAL 99 Cb 1.19 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2iwe h VAL 99 CO 0.91 0.00 -0.01 0.77 0.02 0.00 0.00 177.57 179.26 2iwe h SER 100 N 0.00 0.00 0.50 0.57 4.64 -1.88 0.04 113.55 117.42 2iwe h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iwe h SER 100 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2iwe h SER 100 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 2iwe n LYS 101 N -3.22 0.28 -4.03 4.77 5.02 -0.64 -4.75 118.16 115.60 2iwe n LYS 101 Ca -0.02 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 2iwe n LYS 101 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 2iwe n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2iwe s LEU 102 N -2.64 4.04 -0.03 -0.35 1.43 -0.00 -5.11 118.68 116.02 2iwe s LEU 102 Ca 0.21 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2iwe s LEU 102 Cb 0.16 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2iwe s LEU 102 CO 0.37 0.24 -0.20 -0.75 0.23 0.00 0.00 176.35 176.24 2iwe s LYS 103 N -1.98 1.78 0.33 1.70 2.20 -1.26 -5.04 119.74 117.46 2iwe s LYS 103 Ca 0.26 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 2iwe s LYS 103 Cb -0.12 -1.65 -0.11 0.00 -1.51 0.00 0.00 37.83 34.43 2iwe s LYS 103 CO 0.18 0.40 1.54 -1.91 -0.36 0.00 0.00 175.35 175.20 2iwe n GLU 104 N 2.72 2.67 -0.97 4.03 4.07 -1.26 -3.21 120.64 128.69 2iwe n GLU 104 Ca -0.16 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 2iwe n GLU 104 Cb 0.53 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2iwe n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iwe n GLY 105 N 1.40 0.50 3.66 8.31 0.00 -1.26 -5.04 105.19 112.77 2iwe n GLY 105 Ca 0.05 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2iwe n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2iwe s GLU 106 N -0.17 3.01 -0.17 1.61 2.56 -1.20 -5.08 118.70 119.26 2iwe s GLU 106 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 54.97 54.25 2iwe s GLU 106 Cb 0.00 -2.78 -0.00 0.00 2.00 0.00 0.00 34.13 33.35 2iwe s GLU 106 CO 0.00 0.67 1.06 -0.65 -0.56 0.00 0.00 175.26 175.77 2iwe s GLN 107 N -0.78 4.32 0.12 4.30 1.11 -1.26 -4.72 119.66 122.74 2iwe s GLN 107 Ca 0.12 1.42 0.07 0.00 0.01 0.00 0.00 55.36 56.98 2iwe s GLN 107 Cb -0.11 -3.61 -0.04 0.00 -1.01 0.00 0.00 33.01 28.24 2iwe s GLN 107 CO 0.02 -0.51 -0.09 0.71 0.01 0.00 0.00 175.29 175.43 2iwe s TYR 108 N 2.72 2.74 -0.07 0.91 2.02 -1.07 -0.79 117.35 123.81 2iwe s TYR 108 Ca 0.47 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 57.06 2iwe s TYR 108 Cb -0.17 -1.41 -0.00 0.00 -0.40 0.00 0.00 41.96 39.97 2iwe s TYR 108 CO 0.12 0.45 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.71 2iwe s MET 109 N -2.34 2.30 -0.00 -0.62 -1.94 0.56 -1.39 119.30 115.86 2iwe s MET 109 Ca 0.22 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2iwe s MET 109 Cb -0.11 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 2iwe s MET 109 CO 0.14 0.22 0.02 -0.59 -0.01 0.00 0.00 175.02 174.80 2iwe s PHE 110 N 0.19 3.12 -0.01 -0.03 -0.12 -0.59 -1.93 117.98 118.61 2iwe s PHE 110 Ca -0.10 0.11 -0.28 0.00 -0.05 0.00 0.00 56.93 56.61 2iwe s PHE 110 Cb -0.15 -1.69 0.10 0.00 -0.63 0.00 0.00 43.02 40.66 2iwe s PHE 110 CO 0.05 0.48 0.85 -0.59 -0.05 0.00 0.00 175.22 175.96 2iwe s PHE 111 N -1.10 -0.39 -0.10 3.49 -0.71 -0.72 -0.29 117.98 118.16 2iwe s PHE 111 Ca 0.20 0.33 -0.12 0.00 -1.04 0.00 0.00 56.93 56.29 2iwe s PHE 111 Cb -0.12 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 2iwe s PHE 111 CO 0.11 -0.56 0.29 0.00 -1.34 0.00 0.00 175.22 173.72 2iwe n THR 113 N 2.63 0.63 -1.85 0.00 -2.24 -1.26 -4.61 114.28 107.58 2iwe n THR 113 Ca -0.14 -0.80 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 2iwe n THR 113 Cb 0.53 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2iwe n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2iwe s PHE 114 N -1.37 2.60 -0.07 4.78 2.19 -1.26 -4.28 117.98 120.57 2iwe s PHE 114 Ca 0.42 1.23 -0.29 0.00 0.33 0.00 0.00 56.93 58.61 2iwe s PHE 114 Cb 0.23 -3.94 -0.06 0.00 -1.31 0.00 0.00 43.02 37.94 2iwe s PHE 114 CO 0.32 -2.82 1.85 -1.25 1.83 0.00 0.00 175.22 175.15 2iwe s PRO 115 N -2.18 3.94 0.22 10.12 0.04 -1.26 -4.92 135.00 140.96 2iwe s PRO 115 Ca 0.55 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 2iwe s PRO 115 Cb -0.45 -4.12 0.05 0.00 0.04 0.00 0.00 34.50 30.03 2iwe s PRO 115 CO 0.59 -1.15 0.30 0.41 0.04 0.00 0.00 177.00 177.20 2iwe n GLY 116 N 4.62 -0.26 0.00 0.56 0.00 -1.26 -5.10 105.19 103.75 2iwe n GLY 116 Ca 0.20 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2iwe n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iwe n GLY 117 N 2.87 0.38 0.11 -0.02 0.00 -1.26 -4.99 105.19 102.27 2iwe n GLY 117 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2iwe n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2iwe h SER 118 N 0.00 0.25 -1.83 1.61 0.02 -2.01 -3.47 113.55 108.11 2iwe h SER 118 Ca 0.00 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2iwe h SER 118 Cb 0.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2iwe h SER 118 CO 0.00 0.34 -0.01 0.00 -1.14 0.00 0.00 176.83 176.02 2iwe n ALA 119 N -2.23 -0.13 -2.65 3.77 0.00 -1.26 -5.17 120.51 112.83 2iwe n ALA 119 Ca -0.04 -0.28 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2iwe n ALA 119 Cb 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 2iwe n ALA 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2iwe s LEU 120 N 0.00 4.35 -1.06 0.00 1.02 -1.26 -4.92 118.68 116.80 2iwe s LEU 120 Ca 0.05 0.68 -0.23 0.00 0.02 0.00 0.00 54.13 54.65 2iwe s LEU 120 Cb -0.00 -2.92 -0.02 0.00 0.02 0.00 0.00 46.19 43.27 2iwe s LEU 120 CO 0.03 0.18 1.81 -0.04 0.02 0.00 0.00 176.35 178.35 2iwe s MET 121 N -1.96 2.97 0.35 1.70 -1.94 -1.26 -4.94 119.30 114.21 2iwe s MET 121 Ca 0.32 -0.94 0.07 0.00 -1.71 0.00 0.00 55.69 53.43 2iwe s MET 121 Cb -0.13 -5.24 -0.02 0.00 2.01 0.00 0.00 34.83 31.45 2iwe s MET 121 CO 0.18 -3.12 0.39 -1.59 -0.01 0.00 0.00 175.02 170.88 2iwe s LYS 122 N 6.03 2.89 0.12 2.03 -2.85 -1.26 -2.70 119.74 124.00 2iwe s LYS 122 Ca 0.62 -1.19 -0.26 0.00 -1.00 0.00 0.00 55.97 54.14 2iwe s LYS 122 Cb -0.02 -2.64 0.08 0.00 -2.06 0.00 0.00 37.83 33.19 2iwe s LYS 122 CO 0.02 0.03 1.03 0.20 0.10 0.00 0.00 175.35 176.74 2iwe s GLY 123 N -4.11 -0.26 0.23 0.59 0.00 0.61 -4.82 107.32 99.56 2iwe s GLY 123 Ca 0.44 0.23 0.08 0.00 0.00 0.00 0.00 44.72 45.47 2iwe s GLY 123 CO 0.29 0.07 0.09 -0.51 0.00 0.00 0.00 173.10 173.04 2iwe s THR 124 N -3.08 4.02 -0.10 0.90 -4.23 -0.16 -1.55 115.64 111.44 2iwe s THR 124 Ca 0.13 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2iwe s THR 124 Cb -0.00 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.74 2iwe s THR 124 CO 0.01 -0.29 0.27 -0.22 -0.54 0.00 0.00 174.62 173.85 2iwe s LEU 125 N -3.55 0.80 -0.01 4.79 0.20 -0.49 -0.75 118.68 119.68 2iwe s LEU 125 Ca 0.31 0.55 -0.02 0.00 0.69 0.00 0.00 54.13 55.66 2iwe s LEU 125 Cb -0.08 0.89 -0.00 0.00 -0.43 0.00 0.00 46.19 46.57 2iwe s LEU 125 CO 0.22 -0.11 0.05 -0.89 -0.29 0.00 0.00 176.35 175.32 2iwe s THR 126 N 0.46 0.03 0.20 3.68 2.01 -0.95 -2.61 115.64 118.47 2iwe s THR 126 Ca -0.03 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2iwe s THR 126 Cb -0.04 -0.17 -0.08 0.00 0.01 0.00 0.00 72.50 72.22 2iwe s THR 126 CO -0.02 -0.16 1.06 -0.76 -0.69 0.00 0.00 174.62 174.04 2iwe s LEU 127 N -0.48 4.53 0.00 4.42 1.43 -1.26 -1.07 118.68 126.24 2iwe s LEU 127 Ca -0.05 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2iwe s LEU 127 Cb -0.03 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2iwe s LEU 127 CO 0.00 -0.13 0.00 1.17 0.23 0.00 0.00 176.35 177.62