#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5r s ILE 21 N 0.00 2.92 0.12 0.61 1.01 -1.26 -5.10 121.20 119.50 2r5r s ILE 21 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 2r5r s ILE 21 Cb 0.00 -2.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 2r5r s ILE 21 CO 0.00 0.55 1.23 0.00 0.00 0.00 0.00 174.94 176.72 2r5r s ALA 22 N -0.02 3.44 -0.15 9.38 0.00 -1.26 -5.00 121.76 128.16 2r5r s ALA 22 Ca -0.04 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 2r5r s ALA 22 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2r5r s ALA 22 CO 0.04 -0.43 1.24 0.42 0.00 0.00 0.00 175.76 177.03 2r5r s ILE 23 N 0.57 4.30 0.04 0.00 1.09 -1.26 -4.95 121.20 120.99 2r5r s ILE 23 Ca 0.57 1.58 -0.21 0.00 -1.10 0.00 0.00 60.65 61.49 2r5r s ILE 23 Cb -0.32 -4.02 -0.14 0.00 -1.06 0.00 0.00 42.46 36.92 2r5r s ILE 23 CO 0.33 -0.12 1.38 0.44 -0.10 0.00 0.00 174.94 176.86 2r5r h ASP 24 N 8.05 0.33 -4.90 3.58 3.45 -1.94 -3.23 116.42 121.77 2r5r h ASP 24 Ca -0.27 -0.44 -0.11 0.00 0.43 0.00 0.00 57.03 56.64 2r5r h ASP 24 Cb 1.11 -0.09 -0.20 0.00 -0.56 0.00 0.00 39.33 39.58 2r5r h ASP 24 CO 0.96 0.70 -0.20 0.00 -1.57 0.00 0.00 179.24 179.13 2r5r s ARG 25 N -4.47 0.71 0.02 3.56 1.70 -1.26 0.20 118.95 119.42 2r5r s ARG 25 Ca -0.14 -0.06 0.05 0.00 -0.47 0.00 0.00 55.73 55.11 2r5r s ARG 25 Cb 0.05 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 2r5r s ARG 25 CO 0.74 -0.20 -0.14 0.14 -1.08 0.00 0.00 175.30 174.76 2r5r s VAL 26 N -1.18 1.11 0.10 4.99 -7.23 -1.03 -4.99 120.40 112.18 2r5r s VAL 26 Ca -0.12 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 58.92 2r5r s VAL 26 Cb -0.04 -0.98 0.09 0.00 0.56 0.00 0.00 36.38 36.00 2r5r s VAL 26 CO 0.05 0.10 1.13 -0.83 -0.31 0.00 0.00 175.10 175.24 2r5r s GLY 27 N -0.89 -0.03 0.18 2.32 0.00 -1.26 -1.32 107.32 106.32 2r5r s GLY 27 Ca 0.03 -0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.75 2r5r s GLY 27 CO 0.01 3.03 -0.19 -0.26 0.00 0.00 0.00 173.10 175.69 2r5r s ILE 28 N -2.22 2.68 0.30 0.90 -0.00 -1.26 -4.97 121.20 116.64 2r5r s ILE 28 Ca 0.23 -1.85 0.04 0.00 -0.00 0.00 0.00 60.65 59.07 2r5r s ILE 28 Cb -0.01 -2.30 -0.03 0.00 -0.00 0.00 0.00 42.46 40.12 2r5r s ILE 28 CO 0.02 -0.09 0.28 -1.59 -0.00 0.00 0.00 174.94 173.57 2r5r s LYS 29 N -2.66 1.66 -0.82 0.37 -2.85 -1.26 -4.46 119.74 109.72 2r5r s LYS 29 Ca 0.22 -1.89 -0.02 0.00 -1.00 0.00 0.00 55.97 53.27 2r5r s LYS 29 Cb -0.08 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2r5r s LYS 29 CO 0.12 -0.62 0.72 0.00 0.10 0.00 0.00 175.35 175.67 2r5r n ALA 30 N -0.54 -2.55 -3.46 0.59 0.00 -0.99 -4.98 120.51 108.57 2r5r n ALA 30 Ca 0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 2r5r n ALA 30 Cb 0.63 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 2r5r n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2r5r s ILE 31 N -3.08 -0.36 0.55 0.00 2.07 -1.24 -4.96 121.20 114.19 2r5r s ILE 31 Ca 0.09 -0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 58.91 2r5r s ILE 31 Cb -0.02 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.73 2r5r s ILE 31 CO 0.78 -0.29 1.06 -0.13 -1.91 0.00 0.00 174.94 174.45 2r5r s ARG 32 N 2.34 3.48 -0.29 3.50 0.52 -1.26 -1.53 118.95 125.72 2r5r s ARG 32 Ca 0.08 1.34 -0.17 0.00 -0.52 0.00 0.00 55.73 56.46 2r5r s ARG 32 Cb -0.15 -2.05 0.15 0.00 0.52 0.00 0.00 34.95 33.42 2r5r s ARG 32 CO -0.19 -0.69 1.01 -1.58 0.02 0.00 0.00 175.30 173.86 2r5r s HIS 33 N -2.15 -0.52 0.43 -0.53 2.46 -0.61 -4.95 115.29 109.41 2r5r s HIS 33 Ca 0.67 1.07 -0.26 0.00 0.47 0.00 0.00 55.06 57.02 2r5r s HIS 33 Cb -0.18 0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 32.51 2r5r s HIS 33 CO 0.29 -0.26 1.34 -2.30 -2.47 0.00 0.00 174.74 171.34 2r5r n PRO 34 N 3.45 2.09 -4.20 2.88 -0.02 -1.26 -1.64 135.00 136.31 2r5r n PRO 34 Ca -0.18 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2r5r n PRO 34 Cb 0.57 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2r5r n PRO 34 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r5r s VAL 35 N -1.19 0.50 -0.05 -1.45 -7.23 -0.05 -1.60 120.40 109.34 2r5r s VAL 35 Ca 0.61 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 2r5r s VAL 35 Cb -0.49 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2r5r s VAL 35 CO 0.58 -0.56 -0.11 0.54 -0.31 0.00 0.00 175.10 175.24 2r5r s VAL 36 N -3.77 1.02 -0.03 1.32 0.11 -0.44 -1.74 120.40 116.87 2r5r s VAL 36 Ca 0.21 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2r5r s VAL 36 Cb 0.06 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2r5r s VAL 36 CO 0.01 0.32 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.35 2r5r s VAL 37 N 0.42 0.56 0.14 2.04 1.01 -0.50 -4.16 120.40 119.91 2r5r s VAL 37 Ca -0.09 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2r5r s VAL 37 Cb -0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 2r5r s VAL 37 CO 0.02 0.20 0.97 0.00 0.00 0.00 0.00 175.10 176.29 2r5r s ALA 38 N 0.48 3.27 0.46 5.51 0.00 -1.26 0.18 121.76 130.40 2r5r s ALA 38 Ca -0.06 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 2r5r s ALA 38 Cb -0.10 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2r5r s ALA 38 CO 0.00 0.00 1.01 -0.51 0.00 0.00 0.00 175.76 176.27 2r5r s ASP 39 N -0.23 6.57 0.04 0.00 1.01 -1.07 -4.86 116.67 118.13 2r5r s ASP 39 Ca 0.46 1.87 -0.24 0.00 0.71 0.00 0.00 52.55 55.35 2r5r s ASP 39 Cb -0.24 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 40.96 2r5r s ASP 39 CO 0.31 -0.62 1.53 0.50 0.21 0.00 0.00 175.17 177.09 2r5r h LYS 40 N 1.79 -0.02 -5.69 8.23 3.64 -1.97 -3.32 116.57 119.22 2r5r h LYS 40 Ca -0.49 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.56 2r5r h LYS 40 Cb 1.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 2r5r h LYS 40 CO 0.60 0.19 0.88 0.20 -2.27 0.00 0.00 179.45 179.06 2r5r s GLY 41 N -2.61 0.28 0.00 5.01 0.00 -1.26 -4.81 107.32 103.93 2r5r s GLY 41 Ca -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2r5r s GLY 41 CO 0.66 3.43 0.00 0.61 0.00 0.00 0.00 173.10 177.81 2r5r n GLY 42 N 6.61 0.00 0.00 0.20 0.00 -1.25 -4.85 105.19 105.90 2r5r n GLY 42 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2r5r n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5r n GLY 43 N 0.00 0.01 3.59 -0.02 0.00 -1.25 -4.90 105.19 102.61 2r5r n GLY 43 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2r5r n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r5r s SER 44 N -4.00 -0.37 -0.13 1.61 1.04 -1.26 -2.60 113.70 107.98 2r5r s SER 44 Ca 0.00 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 2r5r s SER 44 Cb 0.00 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2r5r s SER 44 CO 0.00 -0.30 0.22 -1.10 0.98 0.00 0.00 173.24 173.04 2r5r s GLN 45 N -0.85 3.89 -0.45 4.02 -0.21 0.48 -4.84 119.66 121.72 2r5r s GLN 45 Ca -0.01 -0.01 -0.10 0.00 0.02 0.00 0.00 55.36 55.27 2r5r s GLN 45 Cb -0.01 -3.31 0.10 0.00 1.00 0.00 0.00 33.01 30.79 2r5r s GLN 45 CO -0.00 0.52 0.31 -1.01 -2.12 0.00 0.00 175.29 172.98 2r5r s HIS 46 N -0.33 3.37 0.00 0.91 3.76 -1.26 -1.41 115.29 120.33 2r5r s HIS 46 Ca 0.15 -1.66 0.00 0.00 -0.15 0.00 0.00 55.06 53.40 2r5r s HIS 46 Cb -0.13 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.34 2r5r s HIS 46 CO 0.04 -0.92 0.00 -2.37 -0.85 0.00 0.00 174.74 170.64 2r5r n THR 47 N 4.93 0.00 -3.98 1.30 5.66 -0.71 -5.00 114.28 116.48 2r5r n THR 47 Ca -0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.73 2r5r n THR 47 Cb 0.42 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.04 2r5r n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2r5r s VAL 48 N -0.24 0.26 0.06 1.08 0.11 -1.26 -0.87 120.40 119.53 2r5r s VAL 48 Ca 0.00 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2r5r s VAL 48 Cb 0.00 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2r5r s VAL 48 CO 0.00 0.16 -0.16 0.00 -3.33 0.00 0.00 175.10 171.77 2r5r s ALA 49 N 0.98 2.71 0.04 1.54 0.00 -0.65 -4.46 121.76 121.91 2r5r s ALA 49 Ca -0.10 -1.22 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2r5r s ALA 49 Cb -0.14 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 2r5r s ALA 49 CO -0.01 0.59 0.58 -1.14 0.00 0.00 0.00 175.76 175.78 2r5r s GLN 50 N -1.69 4.26 0.14 0.00 2.00 0.42 -1.57 119.66 123.21 2r5r s GLN 50 Ca 0.16 0.74 0.09 0.00 -2.00 0.00 0.00 55.36 54.35 2r5r s GLN 50 Cb -0.11 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.38 2r5r s GLN 50 CO 0.08 0.52 -0.15 -0.06 -0.50 0.00 0.00 175.29 175.18 2r5r s PHE 51 N -0.71 2.57 0.06 1.67 0.08 -0.58 -1.52 117.98 119.55 2r5r s PHE 51 Ca 0.30 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 2r5r s PHE 51 Cb -0.19 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2r5r s PHE 51 CO 0.18 0.44 0.06 1.21 -0.10 0.00 0.00 175.22 177.01 2r5r s ASN 52 N -2.38 0.33 0.00 1.36 3.04 -1.08 -2.36 114.94 113.85 2r5r s ASN 52 Ca 0.20 -0.84 0.00 0.00 0.04 0.00 0.00 52.86 52.26 2r5r s ASN 52 Cb -0.10 0.25 0.00 0.00 -1.54 0.00 0.00 41.25 39.86 2r5r s ASN 52 CO 0.12 -0.64 0.00 0.00 -3.04 0.00 0.00 177.10 173.54 2r5r n TYR 54 N 0.10 0.00 -4.26 0.43 0.18 -0.66 -1.62 117.16 111.34 2r5r n TYR 54 Ca -0.15 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.44 2r5r n TYR 54 Cb 0.61 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.42 2r5r n TYR 54 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2r5r s VAL 55 N -2.00 0.60 0.08 -3.48 -7.23 -0.43 -1.52 120.40 106.41 2r5r s VAL 55 Ca 0.00 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 59.73 2r5r s VAL 55 Cb 0.00 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.32 2r5r s VAL 55 CO 0.00 0.20 0.57 0.20 -0.31 0.00 0.00 175.10 175.76 2r5r s ASN 56 N 0.30 7.04 -1.14 4.85 0.01 -0.06 -2.48 114.94 123.46 2r5r s ASN 56 Ca -0.04 1.24 -0.24 0.00 -0.71 0.00 0.00 52.86 53.12 2r5r s ASN 56 Cb -0.08 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2r5r s ASN 56 CO 0.00 0.26 0.77 0.18 -1.51 0.00 0.00 177.10 176.80 2r5r n LEU 57 N 1.64 -2.27 -4.76 0.60 4.32 0.13 -4.36 117.00 112.30 2r5r n LEU 57 Ca -0.10 -1.07 -0.40 0.00 -0.02 0.00 0.00 56.01 54.41 2r5r n LEU 57 Cb 0.51 -2.21 -0.03 0.00 -1.62 0.00 0.00 43.42 40.07 2r5r n LEU 57 CO 0.41 0.53 0.87 -2.16 -1.22 0.00 0.00 177.39 175.82 2r5r s PRO 58 N -6.26 4.53 -0.03 3.23 0.04 -1.25 -4.61 135.00 130.65 2r5r s PRO 58 Ca 0.47 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 2r5r s PRO 58 Cb -0.19 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2r5r s PRO 58 CO 0.89 0.05 0.32 -1.01 0.04 0.00 0.00 177.00 177.28 2r5r s HIS 59 N -1.08 3.68 -1.51 0.56 3.76 -1.04 -4.36 115.29 115.29 2r5r s HIS 59 Ca 0.47 0.83 -0.16 0.00 -0.15 0.00 0.00 55.06 56.04 2r5r s HIS 59 Cb -0.35 -2.16 0.14 0.00 1.11 0.00 0.00 32.58 31.32 2r5r s HIS 59 CO 0.45 0.67 0.64 0.27 -0.85 0.00 0.00 174.74 175.92 2r5r n ASN 60 N 1.81 -3.11 -4.60 1.40 6.94 -1.26 -4.80 115.26 111.64 2r5r n ASN 60 Ca -0.16 -0.78 -0.43 0.00 -0.02 0.00 0.00 54.58 53.19 2r5r n ASN 60 Cb 0.53 -2.58 -0.03 0.00 -2.36 0.00 0.00 39.78 35.35 2r5r n ASN 60 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2r5r s PHE 61 N -3.10 1.82 0.00 -2.53 2.19 -1.26 -4.98 117.98 110.12 2r5r s PHE 61 Ca 0.62 0.62 -0.26 0.00 0.33 0.00 0.00 56.93 58.25 2r5r s PHE 61 Cb -0.34 -4.13 -0.04 0.00 -1.31 0.00 0.00 43.02 37.19 2r5r s PHE 61 CO 0.77 -2.94 0.79 0.15 1.83 0.00 0.00 175.22 175.82 2r5r s LYS 62 N 5.64 4.50 0.63 10.12 3.01 -1.26 -4.96 119.74 137.42 2r5r s LYS 62 Ca 0.79 1.09 0.28 0.00 -1.01 0.00 0.00 55.97 57.12 2r5r s LYS 62 Cb -0.22 -3.41 1.46 0.00 -1.01 0.00 0.00 37.83 34.65 2r5r s LYS 62 CO 0.34 0.15 1.85 0.78 0.51 0.00 0.00 175.35 178.97 2r5r h GLY 63 N 6.23 0.00 2.00 -3.33 0.00 -2.04 0.30 103.07 106.22 2r5r h GLY 63 Ca -0.42 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 2r5r h GLY 63 CO 0.73 0.00 -0.36 -0.91 0.00 0.00 0.00 176.54 176.00 2r5r h THR 64 N 0.00 1.18 -0.14 4.70 1.35 -2.02 -3.45 112.91 114.54 2r5r h THR 64 Ca 0.11 -1.28 -0.52 0.00 -0.55 0.00 0.00 66.41 64.18 2r5r h THR 64 Cb 1.02 1.70 0.04 0.00 -1.73 0.00 0.00 68.15 69.18 2r5r h THR 64 CO -0.00 0.36 1.70 1.41 -0.25 0.00 0.00 175.52 178.73 2r5r n HIS 65 N -3.99 1.80 0.00 4.73 8.25 0.09 -4.72 115.22 121.37 2r5r n HIS 65 Ca -0.02 -1.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 2r5r n HIS 65 Cb 0.41 -1.88 0.00 0.00 1.12 0.00 0.00 29.99 29.64 2r5r n HIS 65 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2r5r n SER 67 N 10.34 0.00 0.12 0.41 3.41 -1.26 -4.41 113.62 122.22 2r5r n SER 67 Ca 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.05 2r5r n SER 67 Cb 0.43 -0.02 0.12 0.00 -0.26 0.00 0.00 64.21 64.48 2r5r n SER 67 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2r5r h ARG 68 N 0.00 0.06 -0.18 4.33 3.08 -1.99 -2.51 114.38 117.17 2r5r h ARG 68 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2r5r h ARG 68 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2r5r h ARG 68 CO 0.00 0.71 0.08 0.74 -1.07 0.00 0.00 179.97 180.43 2r5r h PHE 69 N 0.04 0.16 -0.65 3.04 0.04 -2.00 -1.06 116.94 116.50 2r5r h PHE 69 Ca -0.01 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2r5r h PHE 69 Cb 1.18 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.26 2r5r h PHE 69 CO 0.01 0.09 0.27 0.28 -0.60 0.00 0.00 178.31 178.35 2r5r h VAL 70 N 0.18 1.22 0.42 -0.55 2.07 -1.94 -1.13 116.25 116.52 2r5r h VAL 70 Ca 0.07 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2r5r h VAL 70 Cb 0.02 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2r5r h VAL 70 CO -0.05 0.28 -0.38 -0.33 0.02 0.00 0.00 177.57 177.11 2r5r h GLU 71 N 0.93 -0.78 -0.90 1.57 5.08 -1.12 -1.69 114.58 117.67 2r5r h GLU 71 Ca 0.22 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 2r5r h GLU 71 Cb 0.17 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2r5r h GLU 71 CO -0.02 -0.52 0.55 0.82 -1.00 0.00 0.00 179.01 178.84 2r5r h ILE 72 N -0.81 0.97 -0.10 3.13 2.04 -0.83 0.18 117.51 122.10 2r5r h ILE 72 Ca -0.04 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 2r5r h ILE 72 Cb 0.71 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2r5r h ILE 72 CO -0.04 0.17 -0.29 0.25 0.00 0.00 0.00 178.15 178.24 2r5r h LEU 73 N 0.94 0.17 0.00 1.44 5.85 -1.01 -3.09 115.31 119.61 2r5r h LEU 73 Ca 0.42 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2r5r h LEU 73 Cb 0.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2r5r h LEU 73 CO -0.22 0.46 -1.30 0.59 -0.34 0.00 0.00 178.44 177.63 2r5r n ASN 74 N -4.15 0.58 0.19 1.25 3.02 -0.61 -4.32 115.26 111.22 2r5r n ASN 74 Ca -0.01 0.19 0.14 0.00 -0.03 0.00 0.00 54.58 54.86 2r5r n ASN 74 Cb 0.37 0.93 0.57 0.00 -0.61 0.00 0.00 39.78 41.04 2r5r n ASN 74 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2r5r h SER 75 N 0.00 0.00 0.00 6.41 4.64 -0.59 -3.42 113.55 120.59 2r5r h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r5r h SER 75 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2r5r h SER 75 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2r5r n HIS 76 N -2.59 0.00 -2.79 4.77 8.25 -1.25 -5.09 115.22 116.52 2r5r n HIS 76 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 2r5r n HIS 76 Cb 0.27 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 2r5r n HIS 76 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2r5r s GLU 77 N 1.49 2.59 0.16 -0.41 0.41 -1.26 -5.00 118.70 116.68 2r5r s GLU 77 Ca 0.00 -1.00 -0.14 0.00 -0.41 0.00 0.00 54.97 53.42 2r5r s GLU 77 Cb 0.00 -2.59 0.05 0.00 -1.78 0.00 0.00 34.13 29.82 2r5r s GLU 77 CO 0.00 -0.59 1.75 -0.09 -0.49 0.00 0.00 175.26 175.83 2r5r h ARG 78 N 0.25 0.76 -4.92 1.61 9.65 -1.94 -3.39 114.38 116.41 2r5r h ARG 78 Ca -0.40 -0.11 -0.67 0.00 -1.10 0.00 0.00 59.98 57.70 2r5r h ARG 78 Cb 1.29 -0.14 -0.29 0.00 -1.39 0.00 0.00 29.97 29.44 2r5r h ARG 78 CO 0.48 0.63 -0.70 -1.21 2.80 0.00 0.00 179.97 181.97 2r5r s GLU 79 N -5.71 3.12 0.04 0.20 2.02 -1.26 -4.40 118.70 112.71 2r5r s GLU 79 Ca -0.13 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 2r5r s GLU 79 Cb 0.12 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 2r5r s GLU 79 CO 0.77 -0.33 1.11 0.42 0.02 0.00 0.00 175.26 177.25 2r5r s ILE 80 N 1.43 4.35 0.33 -1.63 1.01 -0.62 -4.64 121.20 121.43 2r5r s ILE 80 Ca 0.03 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.40 2r5r s ILE 80 Cb -0.16 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2r5r s ILE 80 CO -0.02 0.14 0.51 -0.55 0.00 0.00 0.00 174.94 175.01 2r5r s SER 81 N 0.99 6.20 0.41 3.58 0.15 -1.26 -1.33 113.70 122.43 2r5r s SER 81 Ca 0.56 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.63 2r5r s SER 81 Cb -0.26 -1.82 0.89 0.00 -1.71 0.00 0.00 66.02 63.11 2r5r s SER 81 CO 0.29 -0.31 1.88 0.58 1.20 0.00 0.00 173.24 176.88 2r5r h VAL 82 N 0.83 1.05 -0.96 4.45 2.07 -1.97 -2.77 116.25 118.95 2r5r h VAL 82 Ca -0.49 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.05 2r5r h VAL 82 Cb 1.23 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 2r5r h VAL 82 CO 0.60 0.30 0.61 -0.33 0.02 0.00 0.00 177.57 178.76 2r5r h GLU 83 N 0.00 0.85 0.00 1.57 4.39 -1.94 -2.46 114.58 116.99 2r5r h GLU 83 Ca -0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2r5r h GLU 83 Cb 0.60 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2r5r h GLU 83 CO 0.04 0.56 -0.05 0.77 -1.16 0.00 0.00 179.01 179.17 2r5r h SER 84 N 0.87 0.00 -0.67 1.42 0.02 -1.90 -3.18 113.55 110.12 2r5r h SER 84 Ca 0.48 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.62 2r5r h SER 84 Cb 0.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2r5r h SER 84 CO -0.25 0.05 0.73 -0.26 -1.14 0.00 0.00 176.83 175.96 2r5r h PHE 85 N 0.00 0.00 0.48 3.45 -1.00 -1.60 -1.26 116.94 117.01 2r5r h PHE 85 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2r5r h PHE 85 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 2r5r h PHE 85 CO 0.00 0.00 -0.23 1.49 -1.61 0.00 0.00 178.31 177.96 2r5r h GLU 86 N 0.00 -0.62 -0.39 1.51 4.57 -1.80 -2.89 114.58 114.96 2r5r h GLU 86 Ca 0.32 0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.41 2r5r h GLU 86 Cb 1.77 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.49 2r5r h GLU 86 CO -0.00 -0.42 -0.26 0.93 -1.18 0.00 0.00 179.01 178.08 2r5r h GLU 87 N -0.90 0.81 -0.11 1.92 3.07 -1.69 -2.07 114.58 115.61 2r5r h GLU 87 Ca -0.07 -0.35 0.04 0.00 -0.50 0.00 0.00 59.36 58.48 2r5r h GLU 87 Cb 0.50 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 2r5r h GLU 87 CO 0.11 0.98 -0.16 0.82 -1.40 0.00 0.00 179.01 179.36 2r5r h ILE 88 N 0.69 0.58 -0.33 3.13 2.04 -1.37 0.69 117.51 122.95 2r5r h ILE 88 Ca 0.09 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2r5r h ILE 88 Cb 0.80 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2r5r h ILE 88 CO 0.07 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 178.00 2r5r h LEU 89 N -0.21 0.56 -0.25 1.44 3.38 -1.49 -3.06 115.31 115.69 2r5r h LEU 89 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2r5r h LEU 89 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2r5r h LEU 89 CO -0.24 0.73 -0.00 -0.09 0.09 0.00 0.00 178.44 178.94 2r5r h ARG 90 N 0.52 0.44 -0.65 1.13 2.43 -0.55 -2.25 114.38 115.46 2r5r h ARG 90 Ca 0.09 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2r5r h ARG 90 Cb 0.55 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2r5r h ARG 90 CO 0.04 0.61 0.00 0.43 -1.51 0.00 0.00 179.97 179.54 2r5r n SER 91 N -4.63 0.09 0.00 -3.80 7.64 0.23 -2.53 113.62 110.61 2r5r n SER 91 Ca -0.04 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2r5r n SER 91 Cb 0.24 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2r5r n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2r5r n VAL 93 N 0.63 0.00 -0.01 0.44 0.24 -0.85 -0.15 118.33 118.64 2r5r n VAL 93 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2r5r n VAL 93 Cb 0.02 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.31 2r5r n VAL 93 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2r5r h SER 94 N 0.00 -0.08 0.00 -1.34 4.64 -1.69 0.53 113.55 115.61 2r5r h SER 94 Ca 0.00 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2r5r h SER 94 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2r5r h SER 94 CO 0.00 0.60 0.02 0.54 -0.87 0.00 0.00 176.83 177.12 2r5r n ARG 95 N -4.79 0.13 -0.03 4.77 5.12 0.79 -1.54 116.66 121.09 2r5r n ARG 95 Ca -0.07 0.62 0.01 0.00 -1.93 0.00 0.00 57.85 56.49 2r5r n ARG 95 Cb 0.28 -1.94 0.02 0.00 -1.16 0.00 0.00 32.46 29.66 2r5r n ARG 95 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2r5r n LEU 96 N -2.19 1.47 -3.92 0.55 4.77 -1.24 -5.04 117.00 111.39 2r5r n LEU 96 Ca -0.01 -1.60 -0.27 0.00 -0.03 0.00 0.00 56.01 54.10 2r5r n LEU 96 Cb 0.05 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2r5r n LEU 96 CO 0.09 0.39 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.81 2r5r n GLU 97 N -0.47 -4.07 -4.40 3.23 1.02 -0.59 -4.05 120.64 111.31 2r5r n GLU 97 Ca 0.02 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 57.45 2r5r n GLU 97 Cb 0.38 -4.94 -0.10 0.00 -0.02 0.00 0.00 31.44 26.76 2r5r n GLU 97 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2r5r s SER 98 N -4.04 2.62 0.00 1.62 1.04 0.09 -2.49 113.70 112.53 2r5r s SER 98 Ca 0.22 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.58 2r5r s SER 98 Cb -0.11 -0.14 0.24 0.00 0.10 0.00 0.00 66.02 66.10 2r5r s SER 98 CO 0.86 -0.32 1.16 -0.90 0.98 0.00 0.00 173.24 175.02 2r5r n ASP 99 N -0.52 2.65 -3.74 7.02 3.85 -1.26 -4.38 116.55 120.16 2r5r n ASP 99 Ca -0.06 -1.91 -0.15 0.00 -0.71 0.00 0.00 54.79 51.97 2r5r n ASP 99 Cb 0.63 -0.17 -0.15 0.00 -1.35 0.00 0.00 41.12 40.07 2r5r n ASP 99 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2r5r s SER 100 N -0.97 0.11 0.29 -1.12 1.04 -1.25 -2.24 113.70 109.55 2r5r s SER 100 Ca 0.19 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.84 2r5r s SER 100 Cb 0.10 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2r5r s SER 100 CO 0.13 -0.16 0.12 -0.83 0.98 0.00 0.00 173.24 173.48 2r5r s GLY 101 N 1.30 1.95 -0.24 7.32 0.00 0.02 -0.88 107.32 116.78 2r5r s GLY 101 Ca -0.07 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 42.73 2r5r s GLY 101 CO -0.05 -1.63 0.58 -1.58 0.00 0.00 0.00 173.10 170.42 2r5r s HIS 102 N -3.62 -0.93 0.19 1.90 2.46 -0.57 -1.85 115.29 112.87 2r5r s HIS 102 Ca 0.36 1.85 0.08 0.00 0.47 0.00 0.00 55.06 57.82 2r5r s HIS 102 Cb 0.06 0.52 -0.04 0.00 -0.13 0.00 0.00 32.58 32.99 2r5r s HIS 102 CO 0.15 -0.48 -0.16 -1.50 -2.47 0.00 0.00 174.74 170.28 2r5r s ILE 103 N 1.74 1.81 0.35 0.89 2.07 -0.74 -1.65 121.20 125.68 2r5r s ILE 103 Ca -0.09 -2.12 -0.03 0.00 -1.41 0.00 0.00 60.65 57.00 2r5r s ILE 103 Cb -0.07 -1.98 0.01 0.00 0.13 0.00 0.00 42.46 40.55 2r5r s ILE 103 CO -0.17 -0.49 0.51 -0.70 -1.91 0.00 0.00 174.94 172.18 2r5r s GLU 104 N -3.33 1.96 0.00 3.50 2.12 -0.64 -0.82 118.70 121.49 2r5r s GLU 104 Ca 0.20 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2r5r s GLU 104 Cb -0.03 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.82 2r5r s GLU 104 CO 0.07 -0.82 0.00 0.00 -0.54 0.00 0.00 175.26 173.97 2r5r n ALA 106 N -0.57 0.00 -3.07 6.30 0.00 -0.57 -2.63 120.51 119.96 2r5r n ALA 106 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2r5r n ALA 106 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 2r5r n ALA 106 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2r5r s PHE 107 N 0.00 -0.12 0.33 0.00 -0.71 0.37 -0.43 117.98 117.43 2r5r s PHE 107 Ca 0.00 0.05 -0.28 0.00 -1.04 0.00 0.00 56.93 55.66 2r5r s PHE 107 Cb 0.00 0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.80 2r5r s PHE 107 CO 0.00 -0.46 1.19 -1.25 -1.34 0.00 0.00 175.22 173.37 2r5r s PRO 108 N -2.12 4.36 -0.02 1.99 0.04 -1.26 -1.16 135.00 136.83 2r5r s PRO 108 Ca -0.08 1.96 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2r5r s PRO 108 Cb -0.02 -2.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 2r5r s PRO 108 CO -0.01 -0.09 -0.11 -0.47 0.04 0.00 0.00 177.00 176.37 2r5r s TYR 109 N -1.23 1.07 -0.10 0.56 5.04 0.88 -4.87 117.35 118.69 2r5r s TYR 109 Ca 0.50 -0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2r5r s TYR 109 Cb -0.34 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.21 2r5r s TYR 109 CO 0.44 -0.09 -0.11 -0.06 -1.34 0.00 0.00 175.55 174.39 2r5r s PHE 110 N 0.07 2.83 -0.08 4.97 0.08 -1.26 -0.14 117.98 124.45 2r5r s PHE 110 Ca -0.02 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.74 2r5r s PHE 110 Cb -0.08 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2r5r s PHE 110 CO 0.00 0.02 -0.24 0.42 -0.10 0.00 0.00 175.22 175.32 2r5r s ILE 111 N -0.15 2.02 -0.72 0.64 1.01 -0.50 -4.95 121.20 118.54 2r5r s ILE 111 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 2r5r s ILE 111 Cb -0.13 -1.73 0.07 0.00 0.01 0.00 0.00 42.46 40.68 2r5r s ILE 111 CO 0.03 0.55 1.04 0.21 0.00 0.00 0.00 174.94 176.77 2r5r s ASN 112 N 0.14 6.24 0.22 3.58 3.04 -1.26 -0.90 114.94 125.99 2r5r s ASN 112 Ca -0.12 -1.09 -0.12 0.00 0.04 0.00 0.00 52.86 51.57 2r5r s ASN 112 Cb -0.16 -2.44 -0.07 0.00 -1.54 0.00 0.00 41.25 37.04 2r5r s ASN 112 CO 0.07 -1.44 0.58 -0.54 -3.04 0.00 0.00 177.10 172.73 2r5r s LYS 113 N 4.09 3.90 -0.26 0.43 -0.14 -0.32 -4.82 119.74 122.61 2r5r s LYS 113 Ca 0.26 0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 55.17 2r5r s LYS 113 Cb -0.14 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.25 2r5r s LYS 113 CO 0.07 0.35 0.19 -1.12 -0.76 0.00 0.00 175.35 174.08 2r5r s SER 114 N -2.13 6.08 0.15 2.83 0.01 -1.26 -1.53 113.70 117.85 2r5r s SER 114 Ca 0.45 0.07 -0.33 0.00 1.31 0.00 0.00 55.95 57.45 2r5r s SER 114 Cb -0.12 -2.12 -0.16 0.00 0.21 0.00 0.00 66.02 63.82 2r5r s SER 114 CO 0.20 -0.01 1.07 0.00 0.41 0.00 0.00 173.24 174.92 2r5r n ALA 115 N 4.72 -1.41 0.27 1.44 0.00 -0.65 -4.75 120.51 120.13 2r5r n ALA 115 Ca -0.14 0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.88 2r5r n ALA 115 Cb 0.52 -1.94 0.72 0.00 0.00 0.00 0.00 19.45 18.74 2r5r n ALA 115 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2r5r h PRO 116 N 3.02 0.00 0.00 0.00 0.13 -1.92 0.11 132.00 133.34 2r5r h PRO 116 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 2r5r h PRO 116 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 2r5r h PRO 116 CO 0.68 0.06 -1.74 0.28 -0.23 0.00 0.00 178.00 177.04 2r5r n VAL 117 N -4.13 0.73 0.07 1.56 0.31 -1.26 -4.76 118.33 110.86 2r5r n VAL 117 Ca -0.03 -0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 2r5r n VAL 117 Cb 0.14 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 2r5r n VAL 117 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2r5r h SER 118 N -0.30 0.46 0.00 4.52 0.02 -1.93 -3.48 113.55 112.84 2r5r h SER 118 Ca -0.32 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2r5r h SER 118 Cb 1.35 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2r5r h SER 118 CO -0.15 1.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 2r5r n GLY 119 N 0.91 0.79 3.62 -3.77 0.00 0.39 -4.94 105.19 102.18 2r5r n GLY 119 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2r5r n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r5r s VAL 120 N -2.99 3.39 0.24 1.61 1.01 -1.26 -4.22 120.40 118.18 2r5r s VAL 120 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2r5r s VAL 120 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2r5r s VAL 120 CO 0.00 -0.20 1.04 -0.54 0.00 0.00 0.00 175.10 175.40 2r5r s LYS 121 N 5.20 4.70 -0.05 2.72 3.01 -1.26 -1.64 119.74 132.43 2r5r s LYS 121 Ca 0.82 1.67 -0.19 0.00 -1.01 0.00 0.00 55.97 57.26 2r5r s LYS 121 Cb -0.29 -3.25 0.04 0.00 -1.01 0.00 0.00 37.83 33.32 2r5r s LYS 121 CO 0.33 0.28 0.43 -1.54 0.51 0.00 0.00 175.35 175.36 2r5r s SER 122 N -0.76 -0.36 0.36 2.83 1.04 -0.58 -4.96 113.70 111.27 2r5r s SER 122 Ca 0.45 0.38 -0.25 0.00 0.48 0.00 0.00 55.95 57.00 2r5r s SER 122 Cb -0.29 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 2r5r s SER 122 CO 0.36 -0.45 1.02 -0.76 0.98 0.00 0.00 173.24 174.40 2r5r s LEU 123 N -1.06 4.26 -0.04 2.42 1.02 -1.26 -1.18 118.68 122.84 2r5r s LEU 123 Ca -0.11 2.00 0.03 0.00 0.02 0.00 0.00 54.13 56.07 2r5r s LEU 123 Cb -0.04 -4.06 0.01 0.00 0.02 0.00 0.00 46.19 42.12 2r5r s LEU 123 CO 0.05 -0.31 -0.10 -0.22 0.02 0.00 0.00 176.35 175.79 2r5r s LEU 124 N -2.30 1.73 -0.10 1.79 2.96 -0.08 -4.80 118.68 117.89 2r5r s LEU 124 Ca 0.54 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 2r5r s LEU 124 Cb -0.22 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 2r5r s LEU 124 CO 0.28 0.06 0.10 1.51 -1.32 0.00 0.00 176.35 176.98 2r5r s ASP 125 N 0.33 6.05 0.02 3.68 3.84 -1.26 -1.41 116.67 127.92 2r5r s ASP 125 Ca -0.06 0.36 0.05 0.00 -0.00 0.00 0.00 52.55 52.90 2r5r s ASP 125 Cb -0.11 -1.89 -0.02 0.00 -1.38 0.00 0.00 42.92 39.53 2r5r s ASP 125 CO 0.01 0.38 -0.16 -0.31 -0.00 0.00 0.00 175.17 175.10 2r5r s TYR 126 N -1.02 1.38 -0.70 2.11 2.02 0.81 -4.83 117.35 117.11 2r5r s TYR 126 Ca 0.16 -0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.32 2r5r s TYR 126 Cb -0.12 -0.84 0.07 0.00 -0.40 0.00 0.00 41.96 40.67 2r5r s TYR 126 CO 0.05 0.02 1.01 -1.21 -1.57 0.00 0.00 175.55 173.86 2r5r s GLU 127 N -0.84 3.17 -0.03 -0.62 0.41 -1.22 -0.08 118.70 119.48 2r5r s GLU 127 Ca 0.04 -0.88 -0.07 0.00 -0.41 0.00 0.00 54.97 53.65 2r5r s GLU 127 Cb -0.07 -4.32 -0.04 0.00 -1.78 0.00 0.00 34.13 27.92 2r5r s GLU 127 CO 0.01 -1.85 0.23 0.08 -0.49 0.00 0.00 175.26 173.24 2r5r s VAL 128 N 4.09 5.36 -0.05 2.63 1.01 -0.31 -1.54 120.40 131.60 2r5r s VAL 128 Ca 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 2r5r s VAL 128 Cb -0.15 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2r5r s VAL 128 CO 0.08 0.46 0.05 0.28 0.00 0.00 0.00 175.10 175.97 2r5r s THR 129 N -1.20 -0.01 -0.08 3.92 -1.32 0.29 -0.47 115.64 116.76 2r5r s THR 129 Ca 0.23 0.37 -0.16 0.00 -1.21 0.00 0.00 61.69 60.92 2r5r s THR 129 Cb -0.13 -0.23 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 2r5r s THR 129 CO 0.12 0.19 0.42 -0.36 -2.21 0.00 0.00 174.62 172.79 2r5r s PHE 130 N 2.13 3.59 -0.15 9.09 0.08 -1.26 -0.85 117.98 130.61 2r5r s PHE 130 Ca 0.05 0.88 0.00 0.00 0.12 0.00 0.00 56.93 57.99 2r5r s PHE 130 Cb -0.12 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 2r5r s PHE 130 CO -0.03 0.36 -0.14 0.42 -0.10 0.00 0.00 175.22 175.73 2r5r s ILE 131 N -0.07 1.58 0.06 0.64 1.01 0.14 -4.20 121.20 120.36 2r5r s ILE 131 Ca 0.23 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 2r5r s ILE 131 Cb -0.15 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2r5r s ILE 131 CO 0.10 0.46 0.22 -0.83 0.00 0.00 0.00 174.94 174.89 2r5r s GLY 132 N 1.45 2.18 -0.07 6.18 0.00 -0.00 -1.23 107.32 115.82 2r5r s GLY 132 Ca 0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 2r5r s GLY 132 CO -0.10 -0.82 0.18 -0.54 0.00 0.00 0.00 173.10 171.82 2r5r s GLU 133 N -2.53 0.19 -0.04 2.90 0.41 -0.81 -1.78 118.70 117.03 2r5r s GLU 133 Ca 0.35 0.28 -0.01 0.00 -0.41 0.00 0.00 54.97 55.18 2r5r s GLU 133 Cb -0.13 0.05 0.03 0.00 -1.78 0.00 0.00 34.13 32.30 2r5r s GLU 133 CO 0.28 -0.05 0.03 -1.50 -0.49 0.00 0.00 175.26 173.53 2r5r s ILE 134 N 0.29 0.09 0.42 -1.63 2.07 -0.77 -0.85 121.20 120.81 2r5r s ILE 134 Ca -0.02 0.25 0.04 0.00 -1.41 0.00 0.00 60.65 59.51 2r5r s ILE 134 Cb -0.03 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 2r5r s ILE 134 CO -0.01 0.18 0.05 -0.54 -1.91 0.00 0.00 174.94 172.71 2r5r s LYS 135 N 1.73 1.94 -0.54 3.50 1.02 -0.23 -0.80 119.74 126.37 2r5r s LYS 135 Ca -0.00 -2.16 -0.15 0.00 0.02 0.00 0.00 55.97 53.68 2r5r s LYS 135 Cb -0.13 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.02 2r5r s LYS 135 CO -0.03 -0.27 0.30 0.72 -0.92 0.00 0.00 175.35 175.15 2r5r n HIS 136 N -0.97 -0.63 0.00 3.18 8.25 -1.13 -1.20 115.22 122.72 2r5r n HIS 136 Ca -0.09 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2r5r n HIS 136 Cb 0.66 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.54 2r5r n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2r5r n GLY 137 N -1.44 2.21 0.00 -1.41 0.00 -0.95 -4.09 105.19 99.51 2r5r n GLY 137 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2r5r n GLY 137 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r5r n ASN 138 N 4.15 0.40 -4.56 1.61 6.94 -0.90 -4.89 115.26 118.00 2r5r n ASN 138 Ca 0.00 -1.10 -0.41 0.00 -0.02 0.00 0.00 54.58 53.04 2r5r n ASN 138 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2r5r n ASN 138 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2r5r s GLN 139 N -0.10 3.31 0.42 -3.83 -0.21 -0.34 -4.86 119.66 114.04 2r5r s GLN 139 Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 55.36 55.21 2r5r s GLN 139 Cb 0.00 -4.12 -0.07 0.00 1.00 0.00 0.00 33.01 29.83 2r5r s GLN 139 CO 0.00 -1.98 0.80 -0.47 -2.12 0.00 0.00 175.29 171.52 2r5r s TYR 140 N 5.46 3.47 -0.23 0.91 5.04 -1.26 -1.06 117.35 129.67 2r5r s TYR 140 Ca 0.38 1.10 -0.16 0.00 -2.44 0.00 0.00 57.07 55.96 2r5r s TYR 140 Cb -0.08 -2.49 0.07 0.00 0.35 0.00 0.00 41.96 39.81 2r5r s TYR 140 CO 0.19 -0.14 0.58 -1.54 -1.34 0.00 0.00 175.55 173.30 2r5r s SER 141 N -3.13 -0.72 -0.06 4.32 1.04 -0.03 -4.97 113.70 110.15 2r5r s SER 141 Ca 0.52 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 2r5r s SER 141 Cb -0.10 1.16 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 2r5r s SER 141 CO 0.31 -0.22 0.06 0.12 0.98 0.00 0.00 173.24 174.49 2r5r s PHE 142 N 1.14 3.30 0.29 5.02 5.36 -1.26 -1.93 117.98 129.90 2r5r s PHE 142 Ca -0.07 0.27 0.06 0.00 -0.96 0.00 0.00 56.93 56.23 2r5r s PHE 142 Cb -0.06 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.80 2r5r s PHE 142 CO -0.11 0.56 0.26 2.41 -1.46 0.00 0.00 175.22 176.87 2r5r n THR 143 N 1.73 0.00 0.00 0.12 -1.04 -0.37 -1.82 114.28 112.90 2r5r n THR 143 Ca -0.17 -2.08 0.00 0.00 -2.04 0.00 0.00 64.05 59.76 2r5r n THR 143 Cb 0.54 1.05 0.00 0.00 -1.82 0.00 0.00 70.33 70.10 2r5r n THR 143 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2r5r n LYS 145 N -0.55 0.00 -4.30 -2.82 4.81 -0.03 0.23 118.16 115.51 2r5r n LYS 145 Ca 0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.30 2r5r n LYS 145 Cb 0.52 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.41 2r5r n LYS 145 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2r5r s VAL 146 N -0.87 0.70 -0.59 3.15 1.01 -0.14 -0.55 120.40 123.11 2r5r s VAL 146 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2r5r s VAL 146 Cb 0.00 -0.68 0.15 0.00 0.00 0.00 0.00 36.38 35.85 2r5r s VAL 146 CO 0.00 0.25 0.49 -0.63 0.00 0.00 0.00 175.10 175.21 2r5r s ILE 147 N 0.70 4.63 -0.19 2.22 1.01 -0.59 -1.53 121.20 127.45 2r5r s ILE 147 Ca -0.11 -2.10 -0.13 0.00 0.00 0.00 0.00 60.65 58.31 2r5r s ILE 147 Cb -0.13 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2r5r s ILE 147 CO 0.01 -0.87 0.27 0.54 0.00 0.00 0.00 174.94 174.89 2r5r s VAL 148 N 0.88 5.31 -0.07 2.92 0.11 -0.40 -3.44 120.40 125.70 2r5r s VAL 148 Ca 0.10 0.47 -0.25 0.00 -2.93 0.00 0.00 61.98 59.37 2r5r s VAL 148 Cb -0.22 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2r5r s VAL 148 CO -0.03 0.36 0.78 -2.16 -3.33 0.00 0.00 175.10 170.72 2r5r s PRO 149 N 0.76 4.43 0.18 1.54 0.04 -1.26 -0.94 135.00 139.75 2r5r s PRO 149 Ca 0.14 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.23 2r5r s PRO 149 Cb -0.13 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 2r5r s PRO 149 CO 0.04 -0.03 -0.05 0.14 0.04 0.00 0.00 177.00 177.14 2r5r s VAL 150 N 1.10 1.03 -0.13 -0.36 -7.23 0.30 -4.21 120.40 110.91 2r5r s VAL 150 Ca 0.40 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 2r5r s VAL 150 Cb -0.18 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2r5r s VAL 150 CO 0.19 -0.55 0.15 0.28 -0.31 0.00 0.00 175.10 174.87 2r5r s THR 151 N -3.42 5.46 -0.05 5.32 -1.32 -1.01 0.91 115.64 121.53 2r5r s THR 151 Ca 0.22 0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.96 2r5r s THR 151 Cb 0.04 -3.43 0.02 0.00 -1.51 0.00 0.00 72.50 67.62 2r5r s THR 151 CO 0.04 0.58 -0.06 -0.94 -2.21 0.00 0.00 174.62 172.03 2r5r s SER 152 N -0.74 1.07 -0.20 8.08 1.04 -0.39 -2.62 113.70 119.94 2r5r s SER 152 Ca 0.14 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.33 2r5r s SER 152 Cb -0.12 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 2r5r s SER 152 CO 0.03 -0.04 0.09 -0.22 0.98 0.00 0.00 173.24 174.09 2r5r s LEU 153 N 0.87 3.96 -0.11 2.42 2.96 -1.26 -1.38 118.68 126.14 2r5r s LEU 153 Ca -0.12 0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 2r5r s LEU 153 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2r5r s LEU 153 CO 0.01 0.16 0.41 0.00 -1.32 0.00 0.00 176.35 175.60 2r5r n PRO 155 N 3.33 0.17 0.35 0.00 -0.04 -1.26 -2.79 135.00 134.75 2r5r n PRO 155 Ca -0.10 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 2r5r n PRO 155 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2r5r n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r5r h SER 157 N -1.16 0.56 -0.85 0.00 0.02 -1.88 -1.98 113.55 108.27 2r5r h SER 157 Ca -0.09 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.07 2r5r h SER 157 Cb 0.72 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.03 2r5r h SER 157 CO 0.15 0.39 0.29 0.50 -1.14 0.00 0.00 176.83 177.02 2r5r h LYS 158 N 0.69 0.31 0.31 3.45 1.63 -1.65 -2.30 116.57 119.00 2r5r h LYS 158 Ca 0.25 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 2r5r h LYS 158 Cb 0.06 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2r5r h LYS 158 CO -0.12 0.21 -0.15 -0.22 -3.45 0.00 0.00 179.45 175.72 2r5r h LYS 159 N 0.32 -0.40 0.02 1.90 3.64 -0.85 -3.41 116.57 117.79 2r5r h LYS 159 Ca 0.52 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2r5r h LYS 159 Cb 0.97 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2r5r h LYS 159 CO -0.55 -0.14 -0.01 -0.84 -2.27 0.00 0.00 179.45 175.64 2r5r h ILE 160 N -1.03 1.50 -3.67 2.00 3.07 -1.36 -3.44 117.51 114.57 2r5r h ILE 160 Ca -0.04 -1.74 -0.51 0.00 1.55 0.00 0.00 64.86 64.12 2r5r h ILE 160 Cb 0.44 2.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 2r5r h ILE 160 CO 0.07 0.44 0.44 -0.94 -1.05 0.00 0.00 178.15 177.11 2r5r s SER 161 N -5.93 7.35 0.19 2.16 1.04 -0.87 -4.96 113.70 112.68 2r5r s SER 161 Ca -0.17 2.09 -0.06 0.00 0.48 0.00 0.00 55.95 58.30 2r5r s SER 161 Cb -0.01 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.61 2r5r s SER 161 CO 0.64 -0.12 1.56 0.44 0.98 0.00 0.00 173.24 176.75 2r5r h ASP 162 N 4.60 0.81 -3.63 7.02 5.19 -1.86 -3.44 116.42 125.10 2r5r h ASP 162 Ca -0.45 -0.34 -0.29 0.00 -0.62 0.00 0.00 57.03 55.33 2r5r h ASP 162 Cb 1.21 -0.22 -0.31 0.00 0.18 0.00 0.00 39.33 40.18 2r5r h ASP 162 CO 0.70 1.07 -0.73 -0.72 -3.12 0.00 0.00 179.24 176.44 2r5r s TYR 163 N -4.42 0.13 0.16 4.55 -0.85 -1.26 -5.07 117.35 110.60 2r5r s TYR 163 Ca -0.09 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 2r5r s TYR 163 Cb 0.12 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.26 2r5r s TYR 163 CO 0.85 -0.06 0.00 0.41 -1.52 0.00 0.00 175.55 175.23 2r5r n GLY 164 N 3.64 -3.86 3.14 5.49 0.00 -1.26 -5.05 105.19 107.28 2r5r n GLY 164 Ca -0.20 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 2r5r n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5r s ALA 165 N -1.74 1.42 0.13 4.61 0.00 -1.26 -4.77 121.76 120.14 2r5r s ALA 165 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2r5r s ALA 165 Cb 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2r5r s ALA 165 CO 0.00 0.31 1.09 -3.38 0.00 0.00 0.00 175.76 173.78 2r5r s HIS 166 N -0.22 3.59 0.34 0.00 -3.43 -1.26 -4.97 115.29 109.34 2r5r s HIS 166 Ca 0.03 1.57 0.06 0.00 -0.80 0.00 0.00 55.06 55.92 2r5r s HIS 166 Cb -0.08 -3.26 -0.07 0.00 -1.43 0.00 0.00 32.58 27.74 2r5r s HIS 166 CO 0.00 -0.59 -0.01 0.54 -2.00 0.00 0.00 174.74 172.68 2r5r s ASN 167 N 0.25 3.17 0.25 7.38 4.22 -1.26 -3.84 114.94 125.10 2r5r s ASN 167 Ca 0.51 -1.30 -0.06 0.00 -2.14 0.00 0.00 52.86 49.88 2r5r s ASN 167 Cb -0.28 -0.25 -0.02 0.00 1.28 0.00 0.00 41.25 41.99 2r5r s ASN 167 CO 0.32 -0.42 0.35 0.00 -2.04 0.00 0.00 177.10 175.31 2r5r s GLN 168 N -3.75 1.50 0.20 3.55 0.00 -0.48 -4.62 119.66 116.07 2r5r s GLN 168 Ca 0.34 -1.51 -0.29 0.00 -0.00 0.00 0.00 55.36 53.90 2r5r s GLN 168 Cb 0.07 0.39 -0.08 0.00 0.00 0.00 0.00 33.01 33.38 2r5r s GLN 168 CO 0.15 -0.58 0.92 0.50 0.00 0.00 0.00 175.29 176.28 2r5r s ARG 169 N -3.88 4.79 0.13 9.60 3.52 -1.26 -1.26 118.95 130.58 2r5r s ARG 169 Ca 0.31 1.43 0.05 0.00 -0.13 0.00 0.00 55.73 57.39 2r5r s ARG 169 Cb 0.02 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2r5r s ARG 169 CO 0.13 0.47 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.84 2r5r s SER 170 N -0.93 1.86 -0.29 -2.12 0.01 0.26 -2.28 113.70 110.21 2r5r s SER 170 Ca 0.41 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2r5r s SER 170 Cb -0.25 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.01 2r5r s SER 170 CO 0.31 -0.23 -0.04 -1.00 0.41 0.00 0.00 173.24 172.69 2r5r s HIS 171 N -2.61 3.44 -0.46 2.43 3.76 -0.93 -0.54 115.29 120.38 2r5r s HIS 171 Ca 0.11 -2.51 -0.22 0.00 -0.15 0.00 0.00 55.06 52.29 2r5r s HIS 171 Cb -0.02 -2.31 0.03 0.00 1.11 0.00 0.00 32.58 31.39 2r5r s HIS 171 CO 0.02 -0.90 0.76 0.08 -0.85 0.00 0.00 174.74 173.85 2r5r s VAL 172 N 1.05 4.68 -0.24 -0.90 1.01 -0.12 -2.35 120.40 123.53 2r5r s VAL 172 Ca -0.02 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 2r5r s VAL 172 Cb -0.20 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2r5r s VAL 172 CO -0.06 -0.73 0.17 -0.89 0.00 0.00 0.00 175.10 173.59 2r5r s THR 173 N 3.21 5.35 -0.17 3.92 2.01 0.34 -1.28 115.64 129.02 2r5r s THR 173 Ca 0.28 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2r5r s THR 173 Cb -0.13 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.90 2r5r s THR 173 CO 0.21 0.34 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.72 2r5r s ILE 174 N 1.08 1.68 -0.07 1.82 1.01 -0.58 -0.48 121.20 125.65 2r5r s ILE 174 Ca 0.08 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2r5r s ILE 174 Cb -0.14 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2r5r s ILE 174 CO 0.05 0.35 -0.12 -0.94 0.00 0.00 0.00 174.94 174.28 2r5r s SER 175 N 1.42 4.22 -0.07 3.58 1.04 -0.38 -0.97 113.70 122.55 2r5r s SER 175 Ca 0.02 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 2r5r s SER 175 Cb -0.14 -1.04 0.03 0.00 0.10 0.00 0.00 66.02 64.97 2r5r s SER 175 CO -0.10 0.33 0.05 -0.69 0.98 0.00 0.00 173.24 173.81 2r5r s VAL 176 N -0.62 -0.00 -0.54 5.02 1.01 -1.26 -0.65 120.40 123.36 2r5r s VAL 176 Ca 0.09 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 2r5r s VAL 176 Cb -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 35.99 2r5r s VAL 176 CO 0.01 0.12 1.24 -0.13 0.00 0.00 0.00 175.10 176.35 2r5r s ARG 177 N 2.12 3.53 0.08 2.72 0.52 0.13 -4.35 118.95 123.70 2r5r s ARG 177 Ca 0.04 0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 55.58 2r5r s ARG 177 Cb -0.13 -4.01 -0.06 0.00 0.52 0.00 0.00 34.95 31.27 2r5r s ARG 177 CO -0.04 -1.66 0.39 -0.08 0.02 0.00 0.00 175.30 173.94 2r5r s THR 178 N 5.10 5.11 -0.39 0.02 -1.32 -0.76 -0.50 115.64 122.90 2r5r s THR 178 Ca 0.47 0.39 0.04 0.00 -1.21 0.00 0.00 61.69 61.38 2r5r s THR 178 Cb -0.08 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.28 2r5r s THR 178 CO 0.27 0.26 0.48 -0.46 -2.21 0.00 0.00 174.62 172.97 2r5r n ASN 179 N 0.81 0.99 -2.63 8.08 0.23 0.86 -4.38 115.26 119.21 2r5r n ASN 179 Ca -0.07 -0.99 -0.13 0.00 -0.53 0.00 0.00 54.58 52.85 2r5r n ASN 179 Cb 0.52 0.29 -0.05 0.00 -2.08 0.00 0.00 39.78 38.46 2r5r n ASN 179 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2r5r n SER 180 N -0.16 -0.74 -4.73 0.53 7.64 -1.25 -5.05 113.62 109.86 2r5r n SER 180 Ca 0.02 -2.59 -0.41 0.00 1.01 0.00 0.00 58.87 56.90 2r5r n SER 180 Cb 0.08 1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 64.79 2r5r n SER 180 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2r5r s PHE 181 N -3.17 3.53 -0.04 1.43 5.36 -1.26 -5.04 117.98 118.79 2r5r s PHE 181 Ca 0.27 1.51 0.02 0.00 -0.96 0.00 0.00 56.93 57.77 2r5r s PHE 181 Cb 0.01 -3.33 0.02 0.00 -0.34 0.00 0.00 43.02 39.37 2r5r s PHE 181 CO 0.19 -0.83 -0.07 0.42 -1.46 0.00 0.00 175.22 173.47 2r5r s ILE 182 N 0.12 0.71 0.25 3.12 1.01 -1.26 -5.09 121.20 120.06 2r5r s ILE 182 Ca 0.52 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 2r5r s ILE 182 Cb -0.30 -0.68 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 2r5r s ILE 182 CO 0.34 0.25 1.46 0.26 0.00 0.00 0.00 174.94 177.25 2r5r s TRP 183 N 0.66 2.98 0.48 3.97 0.52 -1.26 -4.90 118.94 121.39 2r5r s TRP 183 Ca -0.10 0.99 0.13 0.00 0.02 0.00 0.00 56.10 57.15 2r5r s TRP 183 Cb -0.13 -3.85 1.12 0.00 -1.15 0.00 0.00 33.47 29.46 2r5r s TRP 183 CO 0.01 -2.79 2.10 0.97 0.02 0.00 0.00 176.95 177.27 2r5r h ILE 184 N 3.52 1.05 -0.54 2.03 6.09 -2.00 -1.89 117.51 125.77 2r5r h ILE 184 Ca -0.46 -0.14 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 2r5r h ILE 184 Cb 1.22 0.92 -0.03 0.00 0.47 0.00 0.00 36.82 39.40 2r5r h ILE 184 CO 0.78 0.05 0.32 -0.33 -3.07 0.00 0.00 178.15 175.90 2r5r h GLU 185 N 0.15 0.73 -0.34 2.19 3.07 -1.97 -2.25 114.58 116.17 2r5r h GLU 185 Ca 0.04 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2r5r h GLU 185 Cb 0.03 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2r5r h GLU 185 CO -0.00 0.52 0.14 -0.44 -1.40 0.00 0.00 179.01 177.82 2r5r h ASP 186 N 0.75 0.46 -0.36 1.42 3.32 -1.72 -0.83 116.42 119.46 2r5r h ASP 186 Ca 0.20 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2r5r h ASP 186 Cb -0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2r5r h ASP 186 CO -0.04 0.50 -0.11 0.40 -1.72 0.00 0.00 179.24 178.27 2r5r h ILE 187 N 0.40 1.26 -0.27 0.35 2.04 -1.53 -1.59 117.51 118.17 2r5r h ILE 187 Ca 0.11 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.83 2r5r h ILE 187 Cb 0.18 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2r5r h ILE 187 CO -0.01 0.41 0.03 0.40 0.00 0.00 0.00 178.15 178.97 2r5r h ILE 188 N 0.73 0.84 -0.49 -0.67 2.04 -1.21 -2.87 117.51 115.88 2r5r h ILE 188 Ca 0.12 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2r5r h ILE 188 Cb 0.60 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2r5r h ILE 188 CO 0.04 0.02 0.30 0.03 0.00 0.00 0.00 178.15 178.54 2r5r h ARG 189 N 0.11 0.66 -0.74 2.37 2.47 -0.66 -0.15 114.38 118.45 2r5r h ARG 189 Ca 0.13 -0.06 0.16 0.00 -1.26 0.00 0.00 59.98 58.95 2r5r h ARG 189 Cb 0.15 -0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 28.22 2r5r h ARG 189 CO -0.19 0.47 0.19 0.82 0.56 0.00 0.00 179.97 181.82 2r5r h ILE 190 N 0.65 0.52 -0.21 2.04 2.04 -1.17 0.48 117.51 121.87 2r5r h ILE 190 Ca 0.18 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2r5r h ILE 190 Cb -0.02 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2r5r h ILE 190 CO -0.03 0.05 -0.17 0.00 0.00 0.00 0.00 178.15 178.00 2r5r h ALA 191 N 1.61 0.30 -0.49 1.87 0.00 -1.21 -2.90 119.26 118.43 2r5r h ALA 191 Ca 0.42 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2r5r h ALA 191 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2r5r h ALA 191 CO -0.50 0.21 -0.15 0.93 0.00 0.00 0.00 179.25 179.74 2r5r h GLU 192 N 0.17 0.95 -0.35 0.00 5.08 0.22 -2.40 114.58 118.24 2r5r h GLU 192 Ca 0.04 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2r5r h GLU 192 Cb 0.70 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2r5r h GLU 192 CO 0.04 1.02 -0.03 0.93 -1.00 0.00 0.00 179.01 179.98 2r5r h GLU 193 N 0.84 0.56 0.00 2.33 5.08 -0.16 -3.17 114.58 120.05 2r5r h GLU 193 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2r5r h GLU 193 Cb 0.70 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2r5r h GLU 193 CO 0.05 0.60 -0.48 0.94 -1.00 0.00 0.00 179.01 179.12 2r5r n GLN 194 N -4.25 0.08 -1.67 2.33 -0.06 -1.05 -4.90 117.38 107.86 2r5r n GLN 194 Ca 0.01 0.02 -0.29 0.00 -2.00 0.00 0.00 57.00 54.74 2r5r n GLN 194 Cb 0.27 -1.55 0.09 0.00 -4.06 0.00 0.00 30.24 25.00 2r5r n GLN 194 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2r5r s ALA 195 N -3.04 2.31 0.14 1.69 0.00 -0.93 -4.84 121.76 117.08 2r5r s ALA 195 Ca 0.10 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 2r5r s ALA 195 Cb 0.17 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2r5r s ALA 195 CO 0.69 -1.77 1.65 0.77 0.00 0.00 0.00 175.76 177.10 2r5r h SER 196 N -1.12 -0.64 -5.04 0.00 0.02 -1.74 -3.45 113.55 101.58 2r5r h SER 196 Ca -0.47 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 2r5r h SER 196 Cb 1.29 0.29 -0.15 0.00 0.14 0.00 0.00 62.40 63.98 2r5r h SER 196 CO 0.62 -0.26 -0.01 0.00 -1.14 0.00 0.00 176.83 176.05 2r5r s GLU 198 N -3.05 3.50 0.26 0.00 -1.05 -1.26 -2.40 118.70 114.71 2r5r s GLU 198 Ca -0.02 -0.34 -0.15 0.00 -0.15 0.00 0.00 54.97 54.31 2r5r s GLU 198 Cb 0.00 -2.72 -0.08 0.00 -0.44 0.00 0.00 34.13 30.89 2r5r s GLU 198 CO -0.07 0.24 0.68 -0.51 0.95 0.00 0.00 175.26 176.55 2r5r s LEU 199 N -3.99 4.18 0.00 1.83 1.02 -1.26 -4.78 118.68 115.69 2r5r s LEU 199 Ca 0.39 1.23 0.00 0.00 0.02 0.00 0.00 54.13 55.77 2r5r s LEU 199 Cb -0.10 -3.79 0.00 0.00 0.02 0.00 0.00 46.19 42.32 2r5r s LEU 199 CO 0.33 -0.09 0.00 -1.22 0.02 0.00 0.00 176.35 175.39 2r5r n TYR 200 N 0.08 0.00 0.00 0.29 4.01 -1.26 -5.05 117.16 115.23 2r5r n TYR 200 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2r5r n TYR 200 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2r5r n TYR 200 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r5r n GLY 201 N 3.16 2.72 2.87 2.72 0.00 -1.26 -4.72 105.19 110.68 2r5r n GLY 201 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 2r5r n GLY 201 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r5r s LEU 202 N 0.00 1.13 -0.11 0.99 2.96 -1.26 -5.07 118.68 117.32 2r5r s LEU 202 Ca 0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2r5r s LEU 202 Cb 0.00 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.94 2r5r s LEU 202 CO 0.00 -0.16 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.89 2r5r s LEU 203 N 1.76 2.07 0.92 -0.68 1.02 -1.26 -4.71 118.68 117.79 2r5r s LEU 203 Ca 0.04 -0.56 -0.13 0.00 0.02 0.00 0.00 54.13 53.50 2r5r s LEU 203 Cb -0.13 -1.39 0.18 0.00 0.02 0.00 0.00 46.19 44.87 2r5r s LEU 203 CO -0.07 0.12 1.26 -0.75 0.02 0.00 0.00 176.35 176.93 2r5r s LYS 204 N 0.54 0.87 0.11 1.70 2.47 -1.26 -4.83 119.74 119.35 2r5r s LYS 204 Ca -0.14 -0.50 -0.21 0.00 -1.56 0.00 0.00 55.97 53.56 2r5r s LYS 204 Cb -0.17 -1.93 -0.07 0.00 -1.46 0.00 0.00 37.83 34.20 2r5r s LYS 204 CO 0.05 -2.22 1.73 -0.09 0.16 0.00 0.00 175.35 174.98 2r5r h ARG 205 N -1.43 0.05 -0.13 4.03 2.43 -2.00 -1.88 114.38 115.45 2r5r h ARG 205 Ca -0.43 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 2r5r h ARG 205 Cb 1.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2r5r h ARG 205 CO 0.40 0.03 -0.14 -1.35 -1.51 0.00 0.00 179.97 177.40 2r5r h PRO 206 N 0.05 0.20 -0.04 0.20 0.11 -2.00 -2.76 132.00 127.76 2r5r h PRO 206 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2r5r h PRO 206 Cb 0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 2r5r h PRO 206 CO -0.10 0.35 0.01 -0.44 -0.21 0.00 0.00 178.00 177.61 2r5r h ASP 207 N 0.19 0.07 -0.16 -2.05 3.32 -1.85 -2.26 116.42 113.67 2r5r h ASP 207 Ca 0.04 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 2r5r h ASP 207 Cb 0.37 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2r5r h ASP 207 CO 0.02 0.32 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.70 2r5r h GLU 208 N -0.19 0.50 -0.66 3.56 4.81 -1.32 -0.75 114.58 120.55 2r5r h GLU 208 Ca 0.01 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2r5r h GLU 208 Cb 0.28 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2r5r h GLU 208 CO 0.00 0.60 0.41 -0.22 -0.73 0.00 0.00 179.01 179.07 2r5r h LYS 209 N 0.47 0.79 0.56 1.92 3.11 -1.43 -2.68 116.57 119.31 2r5r h LYS 209 Ca 0.09 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2r5r h LYS 209 Cb 0.44 -0.18 0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2r5r h LYS 209 CO 0.02 0.52 -0.27 -0.92 -2.81 0.00 0.00 179.45 176.00 2r5r h TYR 210 N 0.81 -0.70 -0.47 1.91 3.20 -0.68 -3.12 116.97 117.92 2r5r h TYR 210 Ca 0.26 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.15 2r5r h TYR 210 Cb 0.00 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2r5r h TYR 210 CO -0.05 -0.43 0.31 -0.39 -1.64 0.00 0.00 178.16 175.97 2r5r h VAL 211 N -0.92 1.05 -0.35 1.81 -1.51 -1.21 0.48 116.25 115.59 2r5r h VAL 211 Ca -0.08 -0.18 -0.16 0.00 -1.23 0.00 0.00 66.70 65.06 2r5r h VAL 211 Cb 0.57 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2r5r h VAL 211 CO 0.13 0.10 -0.41 0.74 -1.23 0.00 0.00 177.57 176.90 2r5r h THR 212 N 0.52 1.28 0.09 7.19 2.02 -1.59 -1.20 112.91 121.22 2r5r h THR 212 Ca 0.19 -1.58 -0.28 0.00 0.77 0.00 0.00 66.41 65.51 2r5r h THR 212 Cb 0.11 1.44 0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2r5r h THR 212 CO -0.05 0.52 -1.17 -0.33 0.37 0.00 0.00 175.52 174.86 2r5r h GLU 213 N 0.70 0.57 -0.76 6.66 5.08 -1.25 -2.48 114.58 123.09 2r5r h GLU 213 Ca 0.05 -0.73 0.06 0.00 -1.00 0.00 0.00 59.36 57.75 2r5r h GLU 213 Cb 0.99 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2r5r h GLU 213 CO 0.09 1.31 0.45 -0.09 -1.00 0.00 0.00 179.01 179.78 2r5r h ARG 214 N 0.27 0.79 -0.18 2.33 9.65 -0.06 -0.32 114.38 126.86 2r5r h ARG 214 Ca -0.16 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.48 2r5r h ARG 214 Cb 1.84 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 2r5r h ARG 214 CO 0.22 0.52 -0.66 0.00 2.80 0.00 0.00 179.97 182.86 2r5r h ALA 215 N 1.38 0.50 -0.46 2.80 0.00 -1.28 -2.60 119.26 119.60 2r5r h ALA 215 Ca 0.34 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2r5r h ALA 215 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2r5r h ALA 215 CO -0.18 0.70 0.04 -0.92 0.00 0.00 0.00 179.25 178.89 2r5r h TYR 216 N 0.50 0.76 -0.01 0.00 3.20 -1.09 -2.40 116.97 117.93 2r5r h TYR 216 Ca -0.02 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2r5r h TYR 216 Cb 1.25 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2r5r h TYR 216 CO 0.07 0.69 -0.06 0.09 -1.64 0.00 0.00 178.16 177.30 2r5r n ASN 217 N -4.25 0.80 -3.14 -2.11 3.02 -0.16 -4.20 115.26 105.23 2r5r n ASN 217 Ca 0.03 -1.03 -0.21 0.00 -0.03 0.00 0.00 54.58 53.34 2r5r n ASN 217 Cb 0.26 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2r5r n ASN 217 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2r5r n ASN 218 N -0.53 1.72 -4.75 6.41 5.15 -0.91 -5.07 115.26 117.28 2r5r n ASN 218 Ca 0.18 -3.16 -0.40 0.00 -0.60 0.00 0.00 54.58 50.60 2r5r n ASN 218 Cb 0.28 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.86 2r5r n ASN 218 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2r5r s PRO 219 N -2.59 4.71 -0.01 1.20 0.04 -1.19 -4.27 135.00 132.88 2r5r s PRO 219 Ca 0.42 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2r5r s PRO 219 Cb 0.32 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.56 2r5r s PRO 219 CO -0.09 0.43 0.00 0.15 0.04 0.00 0.00 177.00 177.53 2r5r s LYS 220 N -0.77 0.10 0.84 4.56 1.02 -0.24 -4.65 119.74 120.60 2r5r s LYS 220 Ca 0.41 0.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.32 2r5r s LYS 220 Cb -0.24 -0.20 0.09 0.00 -0.52 0.00 0.00 37.83 36.97 2r5r s LYS 220 CO 0.29 -0.05 1.09 -0.06 -0.92 0.00 0.00 175.35 175.70 2r5r s PHE 221 N 0.43 2.55 0.34 3.18 2.99 -1.26 -4.20 117.98 122.01 2r5r s PHE 221 Ca -0.04 1.28 0.07 0.00 0.00 0.00 0.00 56.93 58.23 2r5r s PHE 221 Cb -0.06 -3.12 0.74 0.00 0.00 0.00 0.00 43.02 40.58 2r5r s PHE 221 CO -0.01 -2.06 1.88 0.28 -0.00 0.00 0.00 175.22 175.31 2r5r h VAL 222 N -1.31 0.90 0.00 -0.44 2.07 -1.96 -0.44 116.25 115.07 2r5r h VAL 222 Ca -0.48 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 2r5r h VAL 222 Cb 1.27 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2r5r h VAL 222 CO 0.56 0.14 -0.73 -0.33 0.02 0.00 0.00 177.57 177.23 2r5r h GLU 223 N 0.78 0.00 -0.43 1.57 3.07 -1.94 -3.13 114.58 114.50 2r5r h GLU 223 Ca 0.43 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.15 2r5r h GLU 223 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2r5r h GLU 223 CO -0.19 0.73 -0.27 -0.44 -1.40 0.00 0.00 179.01 177.44 2r5r h ASP 224 N 0.00 0.95 0.26 1.42 3.32 -1.46 -2.16 116.42 118.76 2r5r h ASP 224 Ca -0.01 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2r5r h ASP 224 Cb 1.30 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2r5r h ASP 224 CO 0.10 1.16 -0.13 0.40 -1.72 0.00 0.00 179.24 179.05 2r5r h ILE 225 N 0.78 0.79 -0.17 0.35 2.04 -1.41 -1.88 117.51 118.01 2r5r h ILE 225 Ca 0.09 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 2r5r h ILE 225 Cb 0.84 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2r5r h ILE 225 CO 0.07 0.10 0.08 -0.37 0.00 0.00 0.00 178.15 178.04 2r5r h VAL 226 N -0.60 1.06 -0.12 1.67 -1.51 -1.55 -0.79 116.25 114.40 2r5r h VAL 226 Ca -0.04 -0.16 -0.06 0.00 -1.23 0.00 0.00 66.70 65.22 2r5r h VAL 226 Cb 0.43 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2r5r h VAL 226 CO 0.06 0.06 -0.14 -0.09 -1.23 0.00 0.00 177.57 176.23 2r5r h ARG 227 N 0.23 0.32 -0.10 5.19 2.43 -1.33 -1.34 114.38 119.77 2r5r h ARG 227 Ca 0.06 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2r5r h ARG 227 Cb 0.02 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2r5r h ARG 227 CO -0.01 0.73 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.46 2r5r h ASP 228 N -0.08 0.19 -0.01 -3.80 3.32 -0.66 -2.02 116.42 113.36 2r5r h ASP 228 Ca 0.02 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2r5r h ASP 228 Cb 0.68 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2r5r h ASP 228 CO 0.03 0.47 -0.04 0.58 -1.72 0.00 0.00 179.24 178.56 2r5r h VAL 229 N 0.17 1.53 -0.92 -1.35 2.07 -1.17 -3.14 116.25 113.44 2r5r h VAL 229 Ca 0.03 -1.62 0.17 0.00 0.82 0.00 0.00 66.70 66.09 2r5r h VAL 229 Cb 0.59 2.60 -0.10 0.00 -1.52 0.00 0.00 31.29 32.86 2r5r h VAL 229 CO 0.04 0.43 0.50 0.00 0.02 0.00 0.00 177.57 178.56 2r5r h ALA 230 N 0.33 1.45 -0.68 1.67 0.00 -1.10 -0.73 119.26 120.20 2r5r h ALA 230 Ca -0.00 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2r5r h ALA 230 Cb 0.72 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2r5r h ALA 230 CO 0.01 -0.10 0.19 1.49 0.00 0.00 0.00 179.25 180.85 2r5r h GLU 231 N 0.66 1.05 -0.52 0.00 4.22 -1.42 0.44 114.58 119.01 2r5r h GLU 231 Ca 0.52 -0.22 -0.09 0.00 0.08 0.00 0.00 59.36 59.65 2r5r h GLU 231 Cb 0.79 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2r5r h GLU 231 CO -0.39 0.91 -0.03 0.28 -2.18 0.00 0.00 179.01 177.61 2r5r h VAL 232 N 1.01 1.26 0.00 0.32 2.07 -1.12 -3.19 116.25 116.59 2r5r h VAL 232 Ca 0.22 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 2r5r h VAL 232 Cb 0.31 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2r5r h VAL 232 CO -0.00 0.39 -0.33 -0.07 0.02 0.00 0.00 177.57 177.58 2r5r h LEU 233 N 0.82 0.00 -1.94 2.57 3.38 -0.41 -3.14 115.31 116.59 2r5r h LEU 233 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2r5r h LEU 233 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2r5r h LEU 233 CO 0.03 0.33 -0.06 0.78 0.09 0.00 0.00 178.44 179.61 2r5r h ASN 234 N 0.00 0.00 -0.00 -0.43 -0.26 -0.93 -3.15 115.58 110.81 2r5r h ASN 234 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2r5r h ASN 234 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2r5r h ASN 234 CO 0.04 0.06 -0.82 1.41 -1.06 0.00 0.00 177.43 177.05 2r5r n HIS 235 N -4.39 0.00 -2.50 1.19 8.25 -1.19 -4.86 115.22 111.72 2r5r n HIS 235 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 2r5r n HIS 235 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2r5r n HIS 235 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2r5r s ASP 236 N -2.70 7.00 0.00 0.41 3.68 -1.19 -4.91 116.67 118.96 2r5r s ASP 236 Ca 0.08 1.59 0.29 0.00 2.13 0.00 0.00 52.55 56.65 2r5r s ASP 236 Cb 0.14 -2.54 1.48 0.00 -1.45 0.00 0.00 42.92 40.55 2r5r s ASP 236 CO 0.73 -0.73 2.02 -0.90 0.13 0.00 0.00 175.17 176.43 2r5r n ASP 237 N 6.47 0.00 -0.14 -0.34 3.85 -1.26 -2.78 116.55 122.35 2r5r n ASP 237 Ca 0.13 -0.14 0.13 0.00 -0.71 0.00 0.00 54.79 54.20 2r5r n ASP 237 Cb 0.45 -0.28 0.46 0.00 -1.35 0.00 0.00 41.12 40.40 2r5r n ASP 237 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2r5r n ARG 238 N -1.28 0.60 -3.90 0.11 1.74 -1.26 -4.80 116.66 107.87 2r5r n ARG 238 Ca 0.14 -0.29 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 2r5r n ARG 238 Cb 0.23 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 2r5r n ARG 238 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2r5r s ILE 239 N -2.60 3.36 -0.07 0.55 1.01 -1.12 -0.10 121.20 122.24 2r5r s ILE 239 Ca 0.23 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 2r5r s ILE 239 Cb 0.19 -2.58 -0.26 0.00 0.01 0.00 0.00 42.46 39.83 2r5r s ILE 239 CO 0.53 0.35 0.55 0.44 0.00 0.00 0.00 174.94 176.82 2r5r h ASP 240 N 8.11 0.29 -5.01 3.58 3.32 -1.11 -3.47 116.42 122.13 2r5r h ASP 240 Ca -0.39 -0.59 -0.08 0.00 0.02 0.00 0.00 57.03 55.99 2r5r h ASP 240 Cb 1.15 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 2r5r h ASP 240 CO 0.60 1.52 -0.05 0.00 -1.72 0.00 0.00 179.24 179.59 2r5r s ALA 241 N -2.58 -1.20 0.03 3.45 0.00 -1.21 -0.69 121.76 119.56 2r5r s ALA 241 Ca -0.14 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.31 2r5r s ALA 241 Cb 0.07 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2r5r s ALA 241 CO 0.80 -0.38 0.31 1.52 0.00 0.00 0.00 175.76 178.01 2r5r s TYR 242 N -1.78 -0.12 -0.09 0.00 1.13 -0.85 0.20 117.35 115.84 2r5r s TYR 242 Ca -0.09 0.02 0.02 0.00 -1.41 0.00 0.00 57.07 55.62 2r5r s TYR 242 Cb -0.02 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 2r5r s TYR 242 CO 0.03 -0.48 -0.16 0.42 -2.51 0.00 0.00 175.55 172.84 2r5r s ILE 243 N -2.33 1.53 -0.13 -3.49 1.09 0.18 -2.21 121.20 115.84 2r5r s ILE 243 Ca -0.07 -0.69 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 2r5r s ILE 243 Cb -0.02 -1.37 0.01 0.00 -1.06 0.00 0.00 42.46 40.02 2r5r s ILE 243 CO -0.02 0.44 -0.22 -0.69 -0.10 0.00 0.00 174.94 174.35 2r5r s VAL 244 N 0.74 2.10 -0.02 2.92 1.01 0.56 -1.24 120.40 126.46 2r5r s VAL 244 Ca -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2r5r s VAL 244 Cb -0.16 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2r5r s VAL 244 CO 0.02 0.55 -0.01 -0.70 0.00 0.00 0.00 175.10 174.97 2r5r s GLU 245 N 0.64 0.29 0.05 2.72 2.12 0.36 -1.00 118.70 123.88 2r5r s GLU 245 Ca -0.11 0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.33 2r5r s GLU 245 Cb -0.16 -0.42 -0.03 0.00 0.26 0.00 0.00 34.13 33.78 2r5r s GLU 245 CO 0.02 -0.09 -0.24 -1.54 -0.54 0.00 0.00 175.26 172.88 2r5r s SER 246 N 0.75 2.85 -0.05 -1.70 1.04 -1.09 0.13 113.70 115.63 2r5r s SER 246 Ca -0.07 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2r5r s SER 246 Cb -0.11 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2r5r s SER 246 CO -0.01 0.20 0.11 -1.83 0.98 0.00 0.00 173.24 172.69 2r5r s GLU 247 N -1.31 0.07 0.05 4.02 -1.05 -0.99 -2.14 118.70 117.35 2r5r s GLU 247 Ca 0.10 0.27 -0.23 0.00 -0.15 0.00 0.00 54.97 54.95 2r5r s GLU 247 Cb -0.09 -0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.41 2r5r s GLU 247 CO 0.02 -0.12 0.70 -0.80 0.95 0.00 0.00 175.26 176.01 2r5r s ASN 248 N 0.83 7.15 -1.17 0.83 0.02 -0.32 -2.19 114.94 120.09 2r5r s ASN 248 Ca -0.06 1.37 -0.08 0.00 -1.02 0.00 0.00 52.86 53.07 2r5r s ASN 248 Cb -0.09 -2.43 0.24 0.00 0.02 0.00 0.00 41.25 38.99 2r5r s ASN 248 CO -0.04 0.09 1.52 0.49 0.02 0.00 0.00 177.10 179.19 2r5r n PHE 249 N 2.53 3.54 -0.79 2.20 3.72 -0.96 -3.07 117.46 124.63 2r5r n PHE 249 Ca -0.05 -3.04 -0.32 0.00 -0.05 0.00 0.00 57.45 53.99 2r5r n PHE 249 Cb 0.50 -1.72 -0.05 0.00 -0.94 0.00 0.00 39.48 37.27 2r5r n PHE 249 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2r5r n GLU 250 N 3.14 0.00 0.22 -1.08 -0.58 -1.13 -4.62 120.64 116.59 2r5r n GLU 250 Ca 0.32 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.13 2r5r n GLU 250 Cb 0.37 -0.72 0.51 0.00 -0.57 0.00 0.00 31.44 31.03 2r5r n GLU 250 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2r5r h SER 251 N 2.86 0.00 0.00 1.62 0.02 -1.91 -3.28 113.55 112.86 2r5r h SER 251 Ca -0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2r5r h SER 251 Cb 0.67 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 2r5r h SER 251 CO 0.48 0.25 -0.49 2.30 -1.14 0.00 0.00 176.83 178.24 2r5r n ILE 252 N -3.79 1.64 0.00 3.27 -5.35 -1.26 -4.85 119.36 109.03 2r5r n ILE 252 Ca -0.01 -2.48 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 2r5r n ILE 252 Cb 0.35 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 2r5r n ILE 252 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2r5r n HIS 253 N -0.85 0.00 -0.93 4.28 8.25 -1.24 -5.05 115.22 119.69 2r5r n HIS 253 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2r5r n HIS 253 Cb 0.76 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2r5r n HIS 253 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2r5r n ASN 254 N -0.26 -2.77 -2.56 0.41 5.15 -1.24 -4.99 115.26 109.00 2r5r n ASN 254 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2r5r n ASN 254 Cb 0.00 -1.44 -0.02 0.00 -0.53 0.00 0.00 39.78 37.80 2r5r n ASN 254 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2r5r n HIS 255 N -2.40 0.25 -4.73 1.20 1.44 -1.26 -5.03 115.22 104.68 2r5r n HIS 255 Ca 0.00 -0.62 -0.26 0.00 -2.01 0.00 0.00 57.72 54.83 2r5r n HIS 255 Cb 0.13 -0.07 -0.17 0.00 0.12 0.00 0.00 29.99 30.00 2r5r n HIS 255 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2r5r s SER 256 N -1.67 2.07 -0.01 4.39 0.01 -1.26 -2.83 113.70 114.39 2r5r s SER 256 Ca 0.01 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2r5r s SER 256 Cb 0.00 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 2r5r s SER 256 CO 0.01 0.06 0.13 0.00 0.41 0.00 0.00 173.24 173.85 2r5r s ALA 257 N 0.57 3.78 0.02 1.44 0.00 -1.17 -4.96 121.76 121.44 2r5r s ALA 257 Ca -0.15 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2r5r s ALA 257 Cb -0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 2r5r s ALA 257 CO 0.05 0.71 0.07 1.52 0.00 0.00 0.00 175.76 178.11 2r5r s TYR 258 N -1.25 0.19 0.16 0.00 1.13 -1.26 -1.17 117.35 115.15 2r5r s TYR 258 Ca 0.25 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.54 2r5r s TYR 258 Cb -0.12 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 2r5r s TYR 258 CO 0.16 -0.30 -0.16 0.00 -2.51 0.00 0.00 175.55 172.74 2r5r s ALA 259 N -2.03 1.87 -0.14 9.51 0.00 -0.91 -5.01 121.76 125.05 2r5r s ALA 259 Ca -0.10 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 2r5r s ALA 259 Cb -0.05 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.98 2r5r s ALA 259 CO -0.02 0.15 0.36 -1.17 0.00 0.00 0.00 175.76 175.08 2r5r s LEU 260 N -2.78 0.56 0.04 0.00 0.20 -1.26 -2.68 118.68 112.77 2r5r s LEU 260 Ca 0.16 0.73 0.04 0.00 0.69 0.00 0.00 54.13 55.75 2r5r s LEU 260 Cb -0.04 1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 46.93 2r5r s LEU 260 CO 0.06 -0.13 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.22 2r5r s ILE 261 N 0.30 1.03 -0.14 6.68 1.01 -0.18 -5.01 121.20 124.90 2r5r s ILE 261 Ca -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 2r5r s ILE 261 Cb -0.03 -0.95 0.05 0.00 0.01 0.00 0.00 42.46 41.53 2r5r s ILE 261 CO -0.01 -0.04 0.36 -0.70 0.00 0.00 0.00 174.94 174.55 2r5r s GLU 262 N -1.18 0.37 -0.02 2.79 2.12 -1.26 -0.32 118.70 121.20 2r5r s GLU 262 Ca 0.00 0.61 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 2r5r s GLU 262 Cb -0.08 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.39 2r5r s GLU 262 CO 0.01 -0.11 0.25 0.50 -0.54 0.00 0.00 175.26 175.37 2r5r s ARG 263 N 0.81 0.57 0.03 4.30 3.52 -0.94 -5.02 118.95 122.22 2r5r s ARG 263 Ca -0.05 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.41 2r5r s ARG 263 Cb -0.06 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 2r5r s ARG 263 CO -0.06 -0.15 -0.20 0.34 -0.81 0.00 0.00 175.30 174.43 2r5r s ASP 264 N -1.21 3.65 0.00 -2.12 3.68 -1.26 -2.00 116.67 117.41 2r5r s ASP 264 Ca -0.13 -0.44 0.02 0.00 2.13 0.00 0.00 52.55 54.13 2r5r s ASP 264 Cb -0.06 -0.55 0.02 0.00 -1.45 0.00 0.00 42.92 40.88 2r5r s ASP 264 CO 0.03 0.27 0.57 0.29 0.13 0.00 0.00 175.17 176.46