#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w7r s PRO 4 N 0.00 2.45 -0.06 -1.09 0.05 -1.26 -5.11 135.00 129.97 2w7r s PRO 4 Ca 0.00 -0.58 -0.30 0.00 0.05 0.00 0.00 61.00 60.17 2w7r s PRO 4 Cb 0.00 -2.38 -0.02 0.00 0.05 0.00 0.00 34.50 32.15 2w7r s PRO 4 CO 0.00 -0.88 1.08 0.42 0.05 0.00 0.00 177.00 177.67 2w7r s ILE 5 N -2.92 4.57 -0.33 0.56 -1.09 0.70 -4.85 121.20 117.83 2w7r s ILE 5 Ca 0.58 1.85 -0.08 0.00 -2.23 0.00 0.00 60.65 60.77 2w7r s ILE 5 Cb -0.10 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 2w7r s ILE 5 CO 0.41 0.03 0.13 -0.69 -1.23 0.00 0.00 174.94 173.59 2w7r s VAL 6 N 1.87 4.18 -0.25 2.92 1.01 -1.26 -0.33 120.40 128.54 2w7r s VAL 6 Ca 0.52 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2w7r s VAL 6 Cb -0.22 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2w7r s VAL 6 CO 0.21 -0.08 0.13 -0.63 0.00 0.00 0.00 175.10 174.73 2w7r s ILE 7 N 1.51 4.86 -0.79 2.22 1.01 0.10 -4.69 121.20 125.42 2w7r s ILE 7 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2w7r s ILE 7 Cb -0.18 -3.28 0.18 0.00 0.01 0.00 0.00 42.46 39.18 2w7r s ILE 7 CO 0.04 0.32 0.80 -1.00 0.00 0.00 0.00 174.94 175.10 2w7r s HIS 8 N 1.49 3.50 0.68 3.97 3.76 -1.26 -1.43 115.29 126.00 2w7r s HIS 8 Ca 0.06 -1.69 0.02 0.00 -0.15 0.00 0.00 55.06 53.30 2w7r s HIS 8 Cb -0.15 -3.93 0.11 0.00 1.11 0.00 0.00 32.58 29.73 2w7r s HIS 8 CO 0.06 -1.12 0.94 0.45 -0.85 0.00 0.00 174.74 174.22 2w7r s SER 9 N 2.76 4.56 0.00 1.40 0.15 -0.39 -4.77 113.70 117.41 2w7r s SER 9 Ca 0.18 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2w7r s SER 9 Cb -0.13 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2w7r s SER 9 CO -0.06 -1.71 0.00 -1.54 1.20 0.00 0.00 173.24 171.13 2w7r n SER 10 N -2.68 0.00 -0.14 5.45 3.41 -1.26 -4.65 113.62 113.75 2w7r n SER 10 Ca 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.79 2w7r n SER 10 Cb 0.61 -0.30 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 2w7r n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2w7r n LYS 12 N -2.28 1.24 -4.36 4.33 4.76 -1.26 -4.68 118.16 115.92 2w7r n LYS 12 Ca 0.00 -1.63 -0.26 0.00 -2.87 0.00 0.00 58.31 53.55 2w7r n LYS 12 Cb 0.00 -1.00 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 2w7r n LYS 12 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2w7r s ASN 13 N -1.54 1.94 0.22 4.39 0.01 -1.26 -5.02 114.94 113.68 2w7r s ASN 13 Ca 0.12 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.93 2w7r s ASN 13 Cb 0.10 -0.85 0.21 0.00 0.41 0.00 0.00 41.25 41.12 2w7r s ASN 13 CO 0.01 -0.02 1.61 1.88 -1.51 0.00 0.00 177.10 179.08 2w7r h TYR 14 N 7.38 0.75 0.00 2.20 0.05 -1.97 -3.44 116.97 121.95 2w7r h TYR 14 Ca -0.31 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.27 2w7r h TYR 14 Cb 1.17 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.74 2w7r h TYR 14 CO 0.48 0.89 0.00 0.41 -1.05 0.00 0.00 178.16 178.90 2w7r n GLY 15 N -0.12 1.39 3.35 3.88 0.00 -1.26 -1.42 105.19 111.01 2w7r n GLY 15 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2w7r n GLY 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w7r s PHE 16 N -2.00 0.31 -0.03 1.61 -0.12 -1.26 -1.30 117.98 115.18 2w7r s PHE 16 Ca 0.00 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 2w7r s PHE 16 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.37 2w7r s PHE 16 CO 0.00 -0.73 -0.24 0.99 -0.05 0.00 0.00 175.22 175.19 2w7r s THR 17 N -3.95 2.22 0.10 -4.49 2.01 -0.33 -4.98 115.64 106.22 2w7r s THR 17 Ca 0.15 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.21 2w7r s THR 17 Cb 0.03 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2w7r s THR 17 CO -0.01 0.58 -0.22 0.27 -0.69 0.00 0.00 174.62 174.54 2w7r s ILE 18 N -0.55 2.52 0.08 1.82 -4.36 -1.26 -0.15 121.20 119.30 2w7r s ILE 18 Ca 0.08 -1.52 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 2w7r s ILE 18 Cb -0.11 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 2w7r s ILE 18 CO -0.00 0.18 -0.17 -0.13 0.24 0.00 0.00 174.94 175.06 2w7r s ARG 19 N -1.86 0.94 -0.03 0.37 0.52 -0.68 -4.86 118.95 113.35 2w7r s ARG 19 Ca 0.15 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.18 2w7r s ARG 19 Cb -0.10 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 2w7r s ARG 19 CO 0.07 0.24 0.42 0.00 0.02 0.00 0.00 175.30 176.05 2w7r s ALA 20 N -1.22 3.64 0.11 2.13 0.00 -1.26 -0.82 121.76 124.35 2w7r s ALA 20 Ca 0.01 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.84 2w7r s ALA 20 Cb -0.10 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2w7r s ALA 20 CO 0.03 0.36 -0.18 0.96 0.00 0.00 0.00 175.76 176.93 2w7r s ILE 21 N -0.65 1.57 -0.15 0.00 -4.36 0.46 -4.97 121.20 113.10 2w7r s ILE 21 Ca 0.24 -1.59 -0.02 0.00 -0.26 0.00 0.00 60.65 59.02 2w7r s ILE 21 Cb -0.16 -1.51 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 2w7r s ILE 21 CO 0.13 -0.18 -0.08 -0.13 0.24 0.00 0.00 174.94 174.91 2w7r s ARG 22 N -2.13 3.53 -0.28 0.37 0.52 -1.26 -1.21 118.95 118.48 2w7r s ARG 22 Ca 0.07 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 2w7r s ARG 22 Cb -0.09 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.61 2w7r s ARG 22 CO 0.04 0.20 0.02 0.08 0.02 0.00 0.00 175.30 175.67 2w7r s VAL 23 N 0.42 3.46 0.24 3.52 1.01 -0.08 -4.95 120.40 124.03 2w7r s VAL 23 Ca -0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 2w7r s VAL 23 Cb -0.15 -2.81 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 2w7r s VAL 23 CO 0.04 0.08 0.62 -0.31 0.00 0.00 0.00 175.10 175.54 2w7r s TYR 24 N 1.40 3.46 -0.34 5.22 1.51 -1.26 -1.30 117.35 126.04 2w7r s TYR 24 Ca 0.01 1.06 -0.20 0.00 -1.01 0.00 0.00 57.07 56.92 2w7r s TYR 24 Cb -0.17 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.28 2w7r s TYR 24 CO -0.00 0.25 0.64 0.08 -1.11 0.00 0.00 175.55 175.40 2w7r s VAL 25 N -1.78 4.90 0.00 0.71 1.01 -0.03 -4.95 120.40 120.26 2w7r s VAL 25 Ca 0.47 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2w7r s VAL 25 Cb -0.12 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2w7r s VAL 25 CO 0.20 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2w7r n GLY 26 N 4.61 3.11 1.51 4.51 0.00 -1.26 -1.30 105.19 116.37 2w7r n GLY 26 Ca -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2w7r n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w7r n ASP 27 N 3.02 4.45 -4.66 1.61 2.03 -1.26 -4.98 116.55 116.76 2w7r n ASP 27 Ca 0.00 -2.25 -0.27 0.00 0.52 0.00 0.00 54.79 52.78 2w7r n ASP 27 Cb 0.00 -0.55 0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2w7r n ASP 27 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2w7r s SER 28 N -0.94 4.20 0.00 1.67 1.04 -0.42 -4.99 113.70 114.26 2w7r s SER 28 Ca 0.51 0.34 0.20 0.00 0.48 0.00 0.00 55.95 57.48 2w7r s SER 28 Cb 0.30 -0.75 0.57 0.00 0.10 0.00 0.00 66.02 66.24 2w7r s SER 28 CO 0.29 -2.02 1.45 0.47 0.98 0.00 0.00 173.24 174.41 2w7r n ASP 29 N -3.22 2.38 -4.75 7.02 8.00 -1.26 -4.53 116.55 120.19 2w7r n ASP 29 Ca 0.11 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.35 2w7r n ASP 29 Cb 0.60 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 2w7r n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w7r s ILE 30 N -1.60 4.98 0.10 0.53 -1.09 -1.26 -4.99 121.20 117.87 2w7r s ILE 30 Ca 0.34 1.26 -0.01 0.00 -2.23 0.00 0.00 60.65 60.01 2w7r s ILE 30 Cb 0.19 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2w7r s ILE 30 CO 0.26 0.36 0.02 -0.72 -1.23 0.00 0.00 174.94 173.64 2w7r s TYR 31 N 0.16 0.71 0.21 3.97 -0.85 -1.26 -0.85 117.35 119.44 2w7r s TYR 31 Ca 0.32 -1.16 0.10 0.00 -0.52 0.00 0.00 57.07 55.81 2w7r s TYR 31 Cb -0.18 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.68 2w7r s TYR 31 CO 0.17 -0.46 -0.12 0.95 -1.52 0.00 0.00 175.55 174.56 2w7r s THR 32 N -3.99 2.98 -0.11 -3.49 -4.23 -0.42 -4.93 115.64 101.45 2w7r s THR 32 Ca 0.17 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2w7r s THR 32 Cb 0.08 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 2w7r s THR 32 CO -0.03 -0.19 0.03 -0.69 -0.54 0.00 0.00 174.62 173.20 2w7r s VAL 33 N -1.89 4.50 0.02 2.29 1.01 -1.26 -0.90 120.40 124.18 2w7r s VAL 33 Ca 0.26 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2w7r s VAL 33 Cb -0.08 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2w7r s VAL 33 CO 0.15 0.57 -0.07 -1.00 0.00 0.00 0.00 175.10 174.75 2w7r s HIS 34 N -0.55 0.62 -0.37 5.22 3.76 -0.35 -4.95 115.29 118.68 2w7r s HIS 34 Ca 0.10 -0.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 2w7r s HIS 34 Cb -0.12 -0.38 0.07 0.00 1.11 0.00 0.00 32.58 33.26 2w7r s HIS 34 CO 0.02 -0.05 0.15 -1.01 -0.85 0.00 0.00 174.74 173.00 2w7r s HIS 35 N -0.84 3.36 -0.05 1.40 3.76 -1.26 -0.40 115.29 121.26 2w7r s HIS 35 Ca -0.04 -1.80 -0.13 0.00 -0.15 0.00 0.00 55.06 52.94 2w7r s HIS 35 Cb -0.07 -2.66 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 2w7r s HIS 35 CO 0.00 -0.84 0.33 -1.50 -0.85 0.00 0.00 174.74 171.89 2w7r s ILE 36 N 1.31 5.18 -0.54 0.60 2.07 0.00 -0.57 121.20 129.24 2w7r s ILE 36 Ca 0.01 0.66 -0.28 0.00 -1.41 0.00 0.00 60.65 59.64 2w7r s ILE 36 Cb -0.21 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.75 2w7r s ILE 36 CO -0.00 0.56 1.57 -0.69 -1.91 0.00 0.00 174.94 174.47 2w7r s VAL 37 N -0.86 3.64 0.02 4.00 1.01 -0.13 -1.68 120.40 126.40 2w7r s VAL 37 Ca 0.21 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.54 2w7r s VAL 37 Cb -0.15 -4.22 -0.29 0.00 0.00 0.00 0.00 36.38 31.72 2w7r s VAL 37 CO 0.10 -1.02 1.05 -0.25 0.00 0.00 0.00 175.10 174.98 2w7r h TRP 38 N 12.21 0.81 -3.15 5.22 2.91 -0.87 0.93 115.95 134.02 2w7r h TRP 38 Ca -0.28 -0.51 -0.14 0.00 1.13 0.00 0.00 58.89 59.09 2w7r h TRP 38 Cb 1.12 -0.06 -0.23 0.00 -0.51 0.00 0.00 29.16 29.48 2w7r h TRP 38 CO 1.03 1.37 -0.38 1.21 -1.03 0.00 0.00 178.44 180.64 2w7r s ASN 39 N -7.17 -0.19 -0.12 2.65 2.47 -1.15 -4.66 114.94 106.79 2w7r s ASN 39 Ca -0.11 0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.42 2w7r s ASN 39 Cb 0.04 0.40 0.01 0.00 -1.45 0.00 0.00 41.25 40.26 2w7r s ASN 39 CO 0.88 -0.27 -0.17 -0.69 -3.72 0.00 0.00 177.10 173.13 2w7r s VAL 40 N -0.66 1.64 -0.09 -5.21 1.01 -1.26 -1.19 120.40 114.64 2w7r s VAL 40 Ca -0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2w7r s VAL 40 Cb -0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2w7r s VAL 40 CO 0.02 0.47 1.04 -1.61 0.00 0.00 0.00 175.10 175.02 2w7r s GLU 41 N 0.94 4.42 0.30 2.72 2.02 -0.42 -4.97 118.70 123.71 2w7r s GLU 41 Ca -0.07 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.08 2w7r s GLU 41 Cb -0.15 -3.54 -0.13 0.00 0.10 0.00 0.00 34.13 30.42 2w7r s GLU 41 CO -0.02 -0.32 1.33 -0.85 0.02 0.00 0.00 175.26 175.42 2w7r n GLU 42 N 4.96 2.09 -1.06 1.61 -0.00 -1.26 -2.44 120.64 124.54 2w7r n GLU 42 Ca 0.09 0.74 -0.02 0.00 -0.00 0.00 0.00 57.16 57.97 2w7r n GLU 42 Cb 0.48 -2.34 -0.01 0.00 -0.00 0.00 0.00 31.44 29.57 2w7r n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2w7r n GLY 43 N 1.32 0.53 4.01 -1.84 0.00 -1.26 -5.02 105.19 102.92 2w7r n GLY 43 Ca 0.07 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2w7r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w7r s SER 44 N -2.33 5.59 0.36 1.61 1.04 -1.02 -4.95 113.70 114.00 2w7r s SER 44 Ca 0.00 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2w7r s SER 44 Cb 0.00 -0.64 0.76 0.00 0.10 0.00 0.00 66.02 66.23 2w7r s SER 44 CO 0.00 -0.83 1.94 -0.65 0.98 0.00 0.00 173.24 174.67 2w7r h PRO 45 N 0.55 0.72 -0.51 4.02 0.11 -1.85 -0.69 132.00 134.35 2w7r h PRO 45 Ca -0.40 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2w7r h PRO 45 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2w7r h PRO 45 CO 0.46 0.48 -0.16 0.00 -0.21 0.00 0.00 178.00 178.57 2w7r h ALA 46 N 1.60 0.71 -0.35 -0.75 0.00 -1.51 -0.89 119.26 118.08 2w7r h ALA 46 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2w7r h ALA 46 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2w7r h ALA 46 CO -0.13 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.87 2w7r h GLN 48 N 0.41 1.01 0.00 0.00 4.15 -0.95 -1.77 115.11 117.95 2w7r h GLN 48 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2w7r h GLN 48 Cb 0.30 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2w7r h GLN 48 CO 0.00 0.67 0.00 0.00 -1.93 0.00 0.00 178.83 177.57 2w7r n ALA 49 N -2.37 2.08 -0.95 3.38 0.00 -0.35 -4.90 120.51 117.39 2w7r n ALA 49 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2w7r n ALA 49 Cb 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2w7r n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w7r n GLY 50 N 0.89 0.54 3.75 0.00 0.00 -0.67 -4.68 105.19 105.03 2w7r n GLY 50 Ca 0.05 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2w7r n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2w7r s LEU 51 N 0.00 4.36 -0.22 0.99 2.96 -0.81 -4.97 118.68 120.99 2w7r s LEU 51 Ca 0.00 2.83 -0.04 0.00 -0.22 0.00 0.00 54.13 56.70 2w7r s LEU 51 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 2w7r s LEU 51 CO 0.00 -0.84 -0.05 -0.75 -1.32 0.00 0.00 176.35 173.39 2w7r s LYS 52 N -0.29 3.37 0.35 1.98 2.20 -1.26 -4.76 119.74 121.33 2w7r s LYS 52 Ca 0.63 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 55.32 2w7r s LYS 52 Cb -0.46 -2.98 -0.11 0.00 -1.51 0.00 0.00 37.83 32.77 2w7r s LYS 52 CO 0.45 -0.18 1.48 0.00 -0.36 0.00 0.00 175.35 176.74 2w7r n ALA 53 N 4.73 2.22 0.00 3.13 0.00 -1.26 -2.40 120.51 126.93 2w7r n ALA 53 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2w7r n ALA 53 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2w7r n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w7r n GLY 54 N 0.88 3.32 3.90 0.00 0.00 0.32 -5.03 105.19 108.58 2w7r n GLY 54 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2w7r n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w7r s ASP 55 N -1.10 5.42 -0.06 1.61 1.01 -1.01 -4.68 116.67 117.86 2w7r s ASP 55 Ca 0.00 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.19 2w7r s ASP 55 Cb 0.00 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.13 2w7r s ASP 55 CO 0.00 -1.28 -0.04 -0.76 0.21 0.00 0.00 175.17 173.30 2w7r s LEU 56 N -5.22 3.31 -0.10 1.23 1.43 0.45 -0.96 118.68 118.82 2w7r s LEU 56 Ca 0.57 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.42 2w7r s LEU 56 Cb -0.11 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2w7r s LEU 56 CO 0.49 0.35 0.84 -0.63 0.23 0.00 0.00 176.35 177.63 2w7r s ILE 57 N -0.87 4.92 -0.12 -0.59 1.01 0.26 -0.97 121.20 124.84 2w7r s ILE 57 Ca 0.14 1.70 0.11 0.00 0.00 0.00 0.00 60.65 62.59 2w7r s ILE 57 Cb -0.11 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.05 2w7r s ILE 57 CO 0.03 0.11 0.04 0.35 0.00 0.00 0.00 174.94 175.48 2w7r n THR 58 N 4.28 0.80 -3.92 2.92 -2.24 0.22 -4.52 114.28 111.82 2w7r n THR 58 Ca 0.04 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2w7r n THR 58 Cb 0.50 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.95 2w7r n THR 58 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2w7r s HIS 59 N -2.29 0.14 -0.18 4.78 3.76 -1.11 -1.88 115.29 118.50 2w7r s HIS 59 Ca -0.06 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2w7r s HIS 59 Cb 0.04 -0.11 0.04 0.00 1.11 0.00 0.00 32.58 33.66 2w7r s HIS 59 CO 0.48 -0.23 -0.08 0.42 -0.85 0.00 0.00 174.74 174.48 2w7r s ILE 60 N -1.36 1.39 -1.54 0.60 1.01 -0.32 -0.94 121.20 120.05 2w7r s ILE 60 Ca -0.15 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2w7r s ILE 60 Cb -0.08 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 40.98 2w7r s ILE 60 CO 0.00 0.17 0.90 0.59 0.00 0.00 0.00 174.94 176.60 2w7r n ASN 61 N 4.78 -4.60 0.00 3.58 3.02 0.22 -1.95 115.26 120.31 2w7r n ASN 61 Ca -0.13 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 2w7r n ASN 61 Cb 0.47 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 2w7r n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w7r n GLY 62 N -1.60 1.72 3.72 7.41 0.00 -1.26 -5.02 105.19 110.16 2w7r n GLY 62 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2w7r n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w7r s GLU 63 N -0.29 4.26 0.52 1.61 4.04 -0.82 -5.01 118.70 123.01 2w7r s GLU 63 Ca 0.00 0.15 -0.21 0.00 0.04 0.00 0.00 54.97 54.96 2w7r s GLU 63 Cb 0.00 -3.44 -0.06 0.00 0.02 0.00 0.00 34.13 30.64 2w7r s GLU 63 CO 0.00 0.19 1.14 -2.14 -1.84 0.00 0.00 175.26 172.61 2w7r s PRO 64 N 0.60 3.48 0.00 -4.83 0.02 -1.26 -1.17 135.00 131.84 2w7r s PRO 64 Ca 0.18 1.67 0.20 0.00 0.02 0.00 0.00 61.00 63.07 2w7r s PRO 64 Cb -0.13 -2.13 0.27 0.00 0.02 0.00 0.00 34.50 32.53 2w7r s PRO 64 CO 0.05 -0.76 1.24 1.33 -0.33 0.00 0.00 177.00 178.54 2w7r n VAL 65 N -1.05 0.27 -1.61 3.83 0.24 -0.79 -4.90 118.33 114.33 2w7r n VAL 65 Ca 0.10 -0.64 -0.49 0.00 -2.04 0.00 0.00 64.34 61.27 2w7r n VAL 65 Cb 0.50 1.18 -0.05 0.00 -1.47 0.00 0.00 33.84 34.00 2w7r n VAL 65 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2w7r n HIS 66 N 1.23 1.70 -0.76 6.34 8.25 -1.26 -1.51 115.22 129.21 2w7r n HIS 66 Ca 0.15 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 2w7r n HIS 66 Cb 0.53 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.27 2w7r n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2w7r n GLY 67 N 2.57 1.45 3.82 -1.41 0.00 -1.26 -5.02 105.19 105.34 2w7r n GLY 67 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2w7r n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w7r s LEU 68 N 0.00 4.49 0.69 0.99 1.43 -0.57 -5.09 118.68 120.62 2w7r s LEU 68 Ca 0.00 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2w7r s LEU 68 Cb 0.00 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.56 2w7r s LEU 68 CO 0.00 0.28 0.99 0.68 0.23 0.00 0.00 176.35 178.53 2w7r s VAL 69 N -0.98 2.31 0.19 -1.59 -7.23 -1.26 -4.88 120.40 106.96 2w7r s VAL 69 Ca 0.26 -0.32 -0.17 0.00 -1.81 0.00 0.00 61.98 59.94 2w7r s VAL 69 Cb -0.18 -2.98 0.17 0.00 0.56 0.00 0.00 36.38 33.95 2w7r s VAL 69 CO 0.16 0.00 1.61 -0.74 -0.31 0.00 0.00 175.10 175.82 2w7r h HIS 70 N -0.54 -0.56 -0.02 2.82 2.76 -1.99 -1.07 115.15 116.55 2w7r h HIS 70 Ca -0.44 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 57.75 2w7r h HIS 70 Cb 1.31 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.60 2w7r h HIS 70 CO 0.28 -0.31 -0.21 1.79 -1.30 0.00 0.00 177.93 178.18 2w7r h THR 71 N -0.09 1.16 -0.15 6.26 1.35 -1.99 -1.42 112.91 118.03 2w7r h THR 71 Ca 0.26 -0.74 -0.15 0.00 -0.55 0.00 0.00 66.41 65.22 2w7r h THR 71 Cb 0.49 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2w7r h THR 71 CO -0.62 0.21 -0.54 -0.33 -0.25 0.00 0.00 175.52 173.99 2w7r h GLU 72 N 0.02 0.44 -0.32 4.72 5.08 -1.59 -1.97 114.58 120.96 2w7r h GLU 72 Ca 0.00 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 2w7r h GLU 72 Cb 0.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2w7r h GLU 72 CO 0.03 0.87 -0.17 0.28 -1.00 0.00 0.00 179.01 179.02 2w7r h VAL 73 N 0.34 1.29 -0.53 3.13 2.07 -0.73 -2.50 116.25 119.33 2w7r h VAL 73 Ca 0.01 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.35 2w7r h VAL 73 Cb 1.06 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 32.17 2w7r h VAL 73 CO 0.10 0.42 -0.09 0.40 0.02 0.00 0.00 177.57 178.41 2w7r h ILE 74 N 0.44 0.50 -0.88 4.57 1.08 -1.22 -2.14 117.51 119.87 2w7r h ILE 74 Ca 0.07 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2w7r h ILE 74 Cb 0.71 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2w7r h ILE 74 CO 0.05 0.01 0.58 -0.08 -0.69 0.00 0.00 178.15 178.01 2w7r h GLU 75 N 0.03 1.16 -0.75 2.37 4.57 -1.16 0.36 114.58 121.17 2w7r h GLU 75 Ca 0.26 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2w7r h GLU 75 Cb 0.40 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2w7r h GLU 75 CO -0.52 0.78 0.41 -0.07 -1.18 0.00 0.00 179.01 178.43 2w7r h LEU 76 N 1.20 0.92 -0.18 1.64 3.38 -0.95 -0.39 115.31 120.92 2w7r h LEU 76 Ca 0.32 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 2w7r h LEU 76 Cb -0.13 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.39 2w7r h LEU 76 CO -0.07 0.74 -0.59 -0.07 0.09 0.00 0.00 178.44 178.54 2w7r h LEU 77 N 1.04 0.83 -0.37 1.67 3.38 -0.59 -3.01 115.31 118.26 2w7r h LEU 77 Ca 0.26 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2w7r h LEU 77 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2w7r h LEU 77 CO -0.04 1.29 0.00 -0.07 0.09 0.00 0.00 178.44 179.70 2w7r h LEU 78 N 0.43 0.65 -1.60 1.67 3.38 -0.73 -2.76 115.31 116.34 2w7r h LEU 78 Ca -0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2w7r h LEU 78 Cb 1.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2w7r h LEU 78 CO 0.13 0.80 0.00 0.11 0.09 0.00 0.00 178.44 179.56 2w7r h LYS 79 N 0.48 0.00 -7.31 1.13 6.56 -1.13 -3.43 116.57 112.87 2w7r h LYS 79 Ca 0.11 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.18 2w7r h LYS 79 Cb 0.47 0.00 0.15 0.00 -0.57 0.00 0.00 32.23 32.27 2w7r h LYS 79 CO 0.02 0.00 0.30 0.45 -2.06 0.00 0.00 179.45 178.16 2w7r s SER 80 N -4.83 4.16 0.00 0.86 0.15 -1.04 -5.06 113.70 107.93 2w7r s SER 80 Ca -0.00 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2w7r s SER 80 Cb 0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2w7r s SER 80 CO 0.40 -2.27 0.00 0.61 1.20 0.00 0.00 173.24 173.18 2w7r n GLY 81 N -0.91 1.24 0.05 9.45 0.00 -1.26 -4.98 105.19 108.78 2w7r n GLY 81 Ca 0.10 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 2w7r n GLY 81 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2w7r h ASN 82 N 0.00 -0.01 -3.25 1.61 7.08 -1.87 -3.43 115.58 115.72 2w7r h ASN 82 Ca 0.00 -0.34 -0.58 0.00 -3.08 0.00 0.00 56.30 52.29 2w7r h ASN 82 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.17 2w7r h ASN 82 CO 0.00 0.34 -0.16 -1.59 -2.08 0.00 0.00 177.43 173.94 2w7r s LYS 83 N -4.81 4.23 -0.03 4.14 0.00 -1.26 -1.26 119.74 120.74 2w7r s LYS 83 Ca -0.15 0.43 0.04 0.00 0.00 0.00 0.00 55.97 56.29 2w7r s LYS 83 Cb 0.03 -3.37 -0.00 0.00 0.00 0.00 0.00 37.83 34.48 2w7r s LYS 83 CO 0.67 0.32 -0.16 0.54 0.00 0.00 0.00 175.35 176.72 2w7r s VAL 84 N 0.10 1.28 -0.22 1.79 0.11 -0.51 -4.97 120.40 117.99 2w7r s VAL 84 Ca 0.25 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2w7r s VAL 84 Cb -0.16 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2w7r s VAL 84 CO 0.11 0.37 0.05 -0.44 -3.33 0.00 0.00 175.10 171.86 2w7r s SER 85 N -0.06 5.18 -0.12 3.54 0.01 -1.26 -0.72 113.70 120.26 2w7r s SER 85 Ca -0.01 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.15 2w7r s SER 85 Cb -0.09 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.24 2w7r s SER 85 CO 0.01 0.05 -0.20 -0.63 0.41 0.00 0.00 173.24 172.88 2w7r s ILE 86 N 1.13 1.84 -0.19 1.44 1.01 0.55 0.72 121.20 127.70 2w7r s ILE 86 Ca 0.04 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2w7r s ILE 86 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2w7r s ILE 86 CO 0.03 0.51 0.40 -0.89 0.00 0.00 0.00 174.94 174.99 2w7r s THR 87 N 0.83 5.20 0.26 2.92 2.01 -0.11 -0.21 115.64 126.54 2w7r s THR 87 Ca -0.08 0.72 0.09 0.00 0.31 0.00 0.00 61.69 62.74 2w7r s THR 87 Cb -0.16 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2w7r s THR 87 CO -0.01 0.26 -0.14 0.42 -0.69 0.00 0.00 174.62 174.46 2w7r s THR 88 N 1.22 2.07 0.00 -0.82 -4.23 -1.26 -0.61 115.64 112.01 2w7r s THR 88 Ca 0.20 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2w7r s THR 88 Cb -0.15 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 2w7r s THR 88 CO 0.08 -0.42 0.05 0.28 -0.54 0.00 0.00 174.62 174.07 2w7r s THR 89 N -2.76 0.07 0.72 3.99 -1.32 -0.14 -4.89 115.64 111.31 2w7r s THR 89 Ca 0.28 -0.55 -0.11 0.00 -1.21 0.00 0.00 61.69 60.10 2w7r s THR 89 Cb -0.01 -0.26 0.03 0.00 -1.51 0.00 0.00 72.50 70.75 2w7r s THR 89 CO 0.12 -0.30 1.10 -2.84 -2.21 0.00 0.00 174.62 170.48 2w7r s PRO 90 N -0.95 2.62 -0.20 7.08 0.02 -1.26 -0.41 135.00 141.90 2w7r s PRO 90 Ca -0.10 0.31 -0.28 0.00 0.02 0.00 0.00 61.00 60.94 2w7r s PRO 90 Cb -0.06 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 2w7r s PRO 90 CO 0.00 -1.15 2.06 -0.06 -0.33 0.00 0.00 177.00 177.52 2w7r s PHE 91 N -3.38 1.37 -0.29 6.54 0.40 -1.26 -4.86 117.98 116.50 2w7r s PHE 91 Ca 0.59 0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 57.31 2w7r s PHE 91 Cb -0.11 -4.02 0.14 0.00 0.51 0.00 0.00 43.02 39.54 2w7r s PHE 91 CO 0.50 -4.03 0.30 -1.21 0.70 0.00 0.00 175.22 171.49 2w7r s GLU 92 N 5.79 0.33 -0.28 0.44 2.02 -1.26 -5.03 118.70 120.71 2w7r s GLU 92 Ca 0.93 -0.14 0.08 0.00 0.02 0.00 0.00 54.97 55.86 2w7r s GLU 92 Cb -0.32 -0.63 0.46 0.00 0.10 0.00 0.00 34.13 33.73 2w7r s GLU 92 CO 0.35 -1.03 1.31 0.09 0.02 0.00 0.00 175.26 176.00 2w7r n ASN 93 N 5.30 3.25 -4.71 -0.19 3.02 -1.26 -5.05 115.26 115.63 2w7r n ASN 93 Ca -0.02 -3.83 -0.42 0.00 -0.03 0.00 0.00 54.58 50.29 2w7r n ASN 93 Cb 0.46 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2w7r n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2w7r s THR 94 N -3.77 3.08 0.38 3.41 2.01 -1.26 -5.02 115.64 114.46 2w7r s THR 94 Ca 0.45 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.18 2w7r s THR 94 Cb 0.40 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2w7r s THR 94 CO -0.02 0.04 0.59 -1.61 -0.69 0.00 0.00 174.62 172.93 2w7r s GLU 95 N 1.49 3.30 -0.67 4.92 0.41 -1.26 -5.04 118.70 121.84 2w7r s GLU 95 Ca 0.68 -0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 54.60 2w7r s GLU 95 Cb -0.39 -2.64 0.12 0.00 -1.78 0.00 0.00 34.13 29.44 2w7r s GLU 95 CO 0.30 -0.01 0.79 0.99 -0.49 0.00 0.00 175.26 176.84 2w7r s THR 96 N -2.39 4.86 -0.14 3.63 2.01 -1.26 -5.02 115.64 117.32 2w7r s THR 96 Ca 0.43 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 2w7r s THR 96 Cb -0.10 -4.54 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2w7r s THR 96 CO 0.36 -1.20 -0.03 -0.55 -0.69 0.00 0.00 174.62 172.52 2w7r s SER 97 N 3.47 4.89 0.00 3.53 0.15 -1.26 -5.37 113.70 119.11 2w7r s SER 97 Ca 0.16 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2w7r s SER 97 Cb -0.19 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2w7r s SER 97 CO 0.02 0.21 0.24 1.33 1.20 0.00 0.00 173.24 176.25