#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5r n LYS 15 N 0.00 -0.05 -0.12 0.11 4.81 -1.26 -4.79 118.16 116.86 1f5r n LYS 15 Ca 0.00 1.07 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1f5r n LYS 15 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1f5r n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f5r n GLY 18 N -1.28 0.84 0.00 3.14 0.00 -1.26 -1.73 105.19 104.90 1f5r n GLY 18 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1f5r n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f5r n GLY 19 N -2.09 2.03 3.26 -0.02 0.00 -1.26 -4.79 105.19 102.32 1f5r n GLY 19 Ca 0.00 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.75 1f5r n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f5r s TYR 20 N 1.21 1.41 0.10 1.61 1.13 -0.18 -4.93 117.35 117.70 1f5r s TYR 20 Ca 0.00 -0.63 -0.31 0.00 -1.41 0.00 0.00 57.07 54.72 1f5r s TYR 20 Cb 0.00 -0.71 -0.08 0.00 -1.10 0.00 0.00 41.96 40.07 1f5r s TYR 20 CO 0.00 0.16 1.47 0.99 -2.51 0.00 0.00 175.55 175.66 1f5r s THR 21 N -2.70 3.18 0.68 -3.49 2.01 -1.26 0.29 115.64 114.35 1f5r s THR 21 Ca 0.14 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 62.78 1f5r s THR 21 Cb -0.02 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1f5r s THR 21 CO 0.03 0.04 1.14 0.00 -0.69 0.00 0.00 174.62 175.14 1f5r s GLN 23 N -4.02 4.48 -0.32 0.00 0.74 -1.26 -4.86 119.66 114.42 1f5r s GLN 23 Ca 0.69 2.02 -0.43 0.00 0.05 0.00 0.00 55.36 57.69 1f5r s GLN 23 Cb -0.23 -3.14 -0.18 0.00 1.10 0.00 0.00 33.01 30.56 1f5r s GLN 23 CO 0.42 -0.03 1.59 -1.91 -0.55 0.00 0.00 175.29 174.81 1f5r n GLU 24 N 1.24 0.55 -2.25 1.67 2.13 -1.26 -1.14 120.64 121.58 1f5r n GLU 24 Ca 0.00 0.20 -0.17 0.00 0.66 0.00 0.00 57.16 57.85 1f5r n GLU 24 Cb 0.43 -1.78 -0.02 0.00 0.27 0.00 0.00 31.44 30.34 1f5r n GLU 24 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1f5r n ASN 25 N 4.21 -4.91 -0.11 4.31 4.13 -1.26 -4.85 115.26 116.77 1f5r n ASN 25 Ca 0.27 0.14 0.14 0.00 1.68 0.00 0.00 54.58 56.81 1f5r n ASN 25 Cb 0.05 -4.17 0.54 0.00 -1.54 0.00 0.00 39.78 34.66 1f5r n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1f5r n SER 26 N -1.74 0.51 -3.27 6.41 3.41 -0.29 -4.00 113.62 114.65 1f5r n SER 26 Ca -0.20 -0.49 -0.25 0.00 -0.26 0.00 0.00 58.87 57.68 1f5r n SER 26 Cb 0.64 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1f5r n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1f5r n VAL 27 N -1.02 1.23 0.21 -3.33 0.31 -1.26 -4.97 118.33 109.49 1f5r n VAL 27 Ca 0.12 -4.81 0.12 0.00 -0.01 0.00 0.00 64.34 59.76 1f5r n VAL 27 Cb 0.30 -1.83 0.59 0.00 -0.91 0.00 0.00 33.84 31.99 1f5r n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1f5r n PRO 28 N 0.87 0.15 0.00 5.55 -0.04 -1.26 -2.03 135.00 138.24 1f5r n PRO 28 Ca 0.27 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.46 1f5r n PRO 28 Cb 0.47 -1.96 0.23 0.00 -0.04 0.00 0.00 33.50 32.19 1f5r n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1f5r n TYR 29 N -2.29 0.00 -2.36 0.54 0.18 -1.17 -1.73 117.16 110.34 1f5r n TYR 29 Ca -0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.36 1f5r n TYR 29 Cb 0.07 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 38.82 1f5r n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1f5r s GLN 30 N -2.85 4.48 0.22 -3.48 2.00 -0.86 -1.04 119.66 118.12 1f5r s GLN 30 Ca 0.14 1.89 0.06 0.00 -2.00 0.00 0.00 55.36 55.45 1f5r s GLN 30 Cb 0.18 -3.24 -0.05 0.00 0.80 0.00 0.00 33.01 30.70 1f5r s GLN 30 CO 0.67 -0.11 -0.07 0.14 -0.50 0.00 0.00 175.29 175.41 1f5r s VAL 31 N 0.02 1.40 -0.11 1.34 -7.23 -0.67 -4.43 120.40 110.72 1f5r s VAL 31 Ca 0.54 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1f5r s VAL 31 Cb -0.33 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1f5r s VAL 31 CO 0.36 -0.47 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.97 1f5r s SER 32 N -3.32 3.75 -0.20 4.85 0.15 -0.65 -2.35 113.70 115.92 1f5r s SER 32 Ca 0.25 -0.37 -0.13 0.00 0.70 0.00 0.00 55.95 56.40 1f5r s SER 32 Cb 0.03 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.90 1f5r s SER 32 CO 0.07 0.20 0.27 -0.76 1.20 0.00 0.00 173.24 174.23 1f5r s LEU 33 N 0.14 4.17 -0.03 3.45 1.43 0.49 -0.71 118.68 127.62 1f5r s LEU 33 Ca -0.09 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1f5r s LEU 33 Cb -0.15 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1f5r s LEU 33 CO 0.05 0.03 -0.10 0.21 0.23 0.00 0.00 176.35 176.78 1f5r s ASN 34 N 0.85 1.36 -0.11 2.29 3.84 0.30 -1.97 114.94 121.50 1f5r s ASN 34 Ca 0.14 -0.21 0.21 0.00 0.21 0.00 0.00 52.86 53.20 1f5r s ASN 34 Cb -0.14 -0.42 0.44 0.00 -0.55 0.00 0.00 41.25 40.59 1f5r s ASN 34 CO 0.05 0.06 1.17 -0.24 -2.79 0.00 0.00 177.10 175.35 1f5r n SER 37 N 3.39 1.51 0.00 -4.21 2.88 -1.26 -0.41 113.62 115.52 1f5r n SER 37 Ca -0.19 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1f5r n SER 37 Cb 0.54 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1f5r n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1f5r n GLY 38 N -0.12 1.65 3.49 0.46 0.00 -1.26 -5.07 105.19 104.34 1f5r n GLY 38 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1f5r n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1f5r s TYR 39 N -0.26 -0.21 0.02 1.61 -0.85 -1.26 -5.13 117.35 111.27 1f5r s TYR 39 Ca 0.00 -0.12 -0.30 0.00 -0.52 0.00 0.00 57.07 56.13 1f5r s TYR 39 Cb 0.00 0.41 -0.06 0.00 0.38 0.00 0.00 41.96 42.69 1f5r s TYR 39 CO 0.00 -0.89 1.41 -1.58 -1.52 0.00 0.00 175.55 172.98 1f5r s HIS 40 N -3.84 2.89 0.00 -3.49 5.65 -1.26 -4.35 115.29 110.88 1f5r s HIS 40 Ca 0.07 0.81 0.00 0.00 0.25 0.00 0.00 55.06 56.19 1f5r s HIS 40 Cb -0.01 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 1f5r s HIS 40 CO -0.05 -2.52 0.00 1.97 -0.65 0.00 0.00 174.74 173.48 1f5r n PHE 41 N 5.15 0.00 -3.63 3.88 -1.74 -0.83 -5.02 117.46 115.26 1f5r n PHE 41 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.93 1f5r n PHE 41 Cb 0.43 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.41 1f5r n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1f5r n GLY 43 N -0.41 2.85 3.91 0.00 0.00 0.10 -0.38 105.19 111.27 1f5r n GLY 43 Ca -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 1f5r n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f5r s GLY 44 N -3.24 0.02 -0.02 -0.02 0.00 -0.99 -3.87 107.32 99.20 1f5r s GLY 44 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.76 1f5r s GLY 44 CO 0.13 3.51 -0.08 -0.56 0.00 0.00 0.00 173.10 176.09 1f5r s SER 45 N -3.54 1.06 -0.32 1.64 0.01 -0.31 -1.67 113.70 110.57 1f5r s SER 45 Ca 0.24 -0.16 -0.24 0.00 1.31 0.00 0.00 55.95 57.10 1f5r s SER 45 Cb -0.02 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1f5r s SER 45 CO 0.03 0.08 0.82 -0.22 0.41 0.00 0.00 173.24 174.36 1f5r s LEU 46 N 0.04 4.07 -0.01 2.44 2.96 -0.21 -0.86 118.68 127.12 1f5r s LEU 46 Ca -0.00 0.64 0.20 0.00 -0.22 0.00 0.00 54.13 54.74 1f5r s LEU 46 Cb -0.06 -3.12 -0.26 0.00 0.50 0.00 0.00 46.19 43.25 1f5r s LEU 46 CO 0.00 -0.68 0.66 2.30 -1.32 0.00 0.00 176.35 177.32 1f5r n ILE 47 N 5.64 0.00 -3.58 6.68 -5.35 -0.83 -1.40 119.36 120.53 1f5r n ILE 47 Ca 0.05 -0.22 -0.07 0.00 -0.27 0.00 0.00 62.75 62.23 1f5r n ILE 47 Cb 0.48 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1f5r n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1f5r s ASN 48 N -3.50 -0.33 0.00 7.28 2.20 -1.21 -4.66 114.94 114.71 1f5r s ASN 48 Ca 0.01 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 51.79 1f5r s ASN 48 Cb 0.14 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 1f5r s ASN 48 CO 0.82 -0.77 0.37 -0.90 -2.94 0.00 0.00 177.10 173.68 1f5r n ASP 49 N -0.33 0.00 0.00 3.54 5.68 -1.26 -2.12 116.55 122.06 1f5r n ASP 49 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1f5r n ASP 49 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1f5r n ASP 49 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1f5r n GLN 50 N -0.86 0.18 -4.34 0.11 7.27 -1.26 -1.03 117.38 117.45 1f5r n GLN 50 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 57.00 56.84 1f5r n GLN 50 Cb 0.00 -0.41 -0.14 0.00 2.41 0.00 0.00 30.24 32.10 1f5r n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1f5r s TRP 51 N -0.04 0.93 0.00 3.69 0.52 -0.90 -0.81 118.94 122.33 1f5r s TRP 51 Ca 0.00 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 55.94 1f5r s TRP 51 Cb 0.00 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1f5r s TRP 51 CO 0.00 -0.01 -0.20 0.08 0.02 0.00 0.00 176.95 176.84 1f5r s VAL 52 N -0.53 1.62 -0.06 4.03 1.01 0.40 -1.96 120.40 124.91 1f5r s VAL 52 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1f5r s VAL 52 Cb -0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1f5r s VAL 52 CO 0.00 0.37 -0.09 0.54 0.00 0.00 0.00 175.10 175.92 1f5r s VAL 53 N -0.58 3.48 0.00 2.92 0.11 -0.04 -0.06 120.40 126.23 1f5r s VAL 53 Ca 0.08 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1f5r s VAL 53 Cb -0.08 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1f5r s VAL 53 CO 0.00 0.60 0.00 -0.24 -3.33 0.00 0.00 175.10 172.13 1f5r n SER 54 N 2.26 0.00 -4.87 3.54 2.88 0.29 -1.17 113.62 116.55 1f5r n SER 54 Ca -0.18 -0.52 -0.36 0.00 -1.33 0.00 0.00 58.87 56.49 1f5r n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1f5r n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f5r s ALA 55 N -1.48 3.79 0.46 -1.46 0.00 -1.26 -0.56 121.76 121.25 1f5r s ALA 55 Ca 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 51.96 51.67 1f5r s ALA 55 Cb 0.00 -2.17 1.14 0.00 0.00 0.00 0.00 23.12 22.10 1f5r s ALA 55 CO 0.00 0.59 2.04 0.00 0.00 0.00 0.00 175.76 178.39 1f5r h ALA 56 N 4.19 1.69 0.00 0.00 0.00 -1.71 -1.44 119.26 121.99 1f5r h ALA 56 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1f5r h ALA 56 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1f5r h ALA 56 CO 0.64 0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.67 1f5r n HIS 57 N -4.25 0.00 0.68 0.00 1.44 -1.26 -2.12 115.22 109.71 1f5r n HIS 57 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.77 1f5r n HIS 57 Cb 0.21 -0.12 0.25 0.00 0.12 0.00 0.00 29.99 30.45 1f5r n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1f5r s TYR 59 N -1.50 2.60 -0.11 0.00 5.04 -0.90 -5.02 117.35 117.46 1f5r s TYR 59 Ca 0.32 1.07 -0.20 0.00 -2.44 0.00 0.00 57.07 55.83 1f5r s TYR 59 Cb 0.17 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.48 1f5r s TYR 59 CO 0.24 -3.18 0.49 0.15 -1.34 0.00 0.00 175.55 171.91 1f5r s LYS 60 N -1.74 0.71 0.40 4.97 1.02 -1.26 -5.06 119.74 118.78 1f5r s LYS 60 Ca 0.55 0.37 0.10 0.00 0.02 0.00 0.00 55.97 57.01 1f5r s LYS 60 Cb -0.47 0.34 0.84 0.00 -0.52 0.00 0.00 37.83 38.02 1f5r s LYS 60 CO 0.60 -0.16 1.95 0.66 -0.92 0.00 0.00 175.35 177.48 1f5r h SER 61 N 4.45 0.20 -3.16 2.83 4.64 -2.03 -3.40 113.55 117.08 1f5r h SER 61 Ca -0.28 -0.04 -0.62 0.00 -0.47 0.00 0.00 61.79 60.39 1f5r h SER 61 Cb 1.17 -0.05 -0.35 0.00 -0.31 0.00 0.00 62.40 62.85 1f5r h SER 61 CO 0.29 0.33 -0.84 -0.13 -0.87 0.00 0.00 176.83 175.61 1f5r s ARG 62 N -4.80 2.45 -0.02 4.77 0.52 -1.26 -5.04 118.95 115.57 1f5r s ARG 62 Ca -0.05 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1f5r s ARG 62 Cb 0.16 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.50 1f5r s ARG 62 CO 0.72 -0.16 -0.00 0.42 0.02 0.00 0.00 175.30 176.30 1f5r s ILE 63 N 1.25 0.14 -0.16 1.52 1.01 -1.26 -4.73 121.20 118.96 1f5r s ILE 63 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1f5r s ILE 63 Cb -0.14 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1f5r s ILE 63 CO -0.07 0.10 -0.05 -1.58 0.00 0.00 0.00 174.94 173.33 1f5r s GLN 64 N 0.59 3.62 -0.16 2.79 0.74 0.46 -1.21 119.66 126.49 1f5r s GLN 64 Ca -0.06 -0.54 -0.13 0.00 0.05 0.00 0.00 55.36 54.68 1f5r s GLN 64 Cb -0.08 -2.89 -0.05 0.00 1.10 0.00 0.00 33.01 31.09 1f5r s GLN 64 CO -0.01 0.22 0.26 0.08 -0.55 0.00 0.00 175.29 175.28 1f5r s VAL 66 N 0.41 5.33 -0.23 1.34 1.01 0.15 -0.54 120.40 127.88 1f5r s VAL 66 Ca -0.05 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1f5r s VAL 66 Cb -0.14 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1f5r s VAL 66 CO 0.03 0.41 -0.10 -0.13 0.00 0.00 0.00 175.10 175.32 1f5r s ARG 67 N 0.35 2.91 0.24 2.72 0.52 0.12 -1.20 118.95 124.61 1f5r s ARG 67 Ca 0.15 -0.92 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 1f5r s ARG 67 Cb -0.13 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1f5r s ARG 67 CO 0.03 -0.34 0.12 -0.51 0.02 0.00 0.00 175.30 174.62 1f5r s LEU 68 N 1.32 3.59 -0.89 2.53 1.02 -0.15 -1.64 118.68 124.45 1f5r s LEU 68 Ca 0.01 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.79 1f5r s LEU 68 Cb -0.16 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1f5r s LEU 68 CO -0.07 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.91 1f5r n GLY 69 N -0.95 0.86 3.88 -3.19 0.00 -1.26 -1.25 105.19 103.28 1f5r n GLY 69 Ca -0.08 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1f5r n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f5r s GLU 70 N -3.04 3.76 0.11 1.61 0.41 -1.26 -3.91 118.70 116.37 1f5r s GLU 70 Ca 0.00 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 1f5r s GLU 70 Cb 0.00 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1f5r s GLU 70 CO 0.00 -0.03 0.00 1.58 -0.49 0.00 0.00 175.26 176.32 1f5r n HIS 71 N -1.32 -0.88 -3.43 1.61 -0.00 -1.26 -4.76 115.22 105.18 1f5r n HIS 71 Ca 0.02 0.16 -0.44 0.00 -0.00 0.00 0.00 57.72 57.46 1f5r n HIS 71 Cb 0.54 0.46 -0.07 0.00 -0.00 0.00 0.00 29.99 30.91 1f5r n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1f5r s ASN 72 N -4.54 5.99 0.00 0.26 3.84 -1.26 -1.96 114.94 117.27 1f5r s ASN 72 Ca 0.00 -1.57 0.08 0.00 0.21 0.00 0.00 52.86 51.59 1f5r s ASN 72 Cb 0.00 -2.13 0.38 0.00 -0.55 0.00 0.00 41.25 38.95 1f5r s ASN 72 CO 0.00 -0.69 1.21 2.30 -2.79 0.00 0.00 177.10 177.13 1f5r n ILE 73 N 5.12 1.16 1.01 -5.21 -5.35 -0.91 -2.51 119.36 112.67 1f5r n ILE 73 Ca -0.12 0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 1f5r n ILE 73 Cb 0.42 -1.15 0.20 0.00 -1.74 0.00 0.00 39.64 37.37 1f5r n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1f5r n ASN 74 N -1.40 2.74 -4.04 7.28 3.02 -1.26 -4.93 115.26 116.67 1f5r n ASN 74 Ca 0.03 -1.90 -0.18 0.00 -0.03 0.00 0.00 54.58 52.50 1f5r n ASN 74 Cb 0.08 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 1f5r n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f5r s VAL 75 N -1.93 0.74 -0.65 2.41 1.01 -1.05 -5.09 120.40 115.85 1f5r s VAL 75 Ca 0.31 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1f5r s VAL 75 Cb 0.20 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1f5r s VAL 75 CO 0.31 0.13 1.12 -0.22 0.00 0.00 0.00 175.10 176.43 1f5r s LEU 76 N -0.44 3.70 0.22 3.92 2.96 -1.26 -4.83 118.68 122.96 1f5r s LEU 76 Ca 0.02 -0.44 0.20 0.00 -0.22 0.00 0.00 54.13 53.69 1f5r s LEU 76 Cb -0.05 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.97 1f5r s LEU 76 CO -0.00 -1.54 1.17 -0.33 -1.32 0.00 0.00 176.35 174.32 1f5r h GLU 77 N 9.67 0.00 0.00 1.98 5.08 -1.97 -3.49 114.58 125.85 1f5r h GLU 77 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1f5r h GLU 77 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1f5r h GLU 77 CO 1.20 0.17 0.00 0.41 -1.00 0.00 0.00 179.01 179.79 1f5r n GLY 78 N 1.23 1.47 0.02 -3.84 0.00 -1.26 -4.93 105.19 97.89 1f5r n GLY 78 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1f5r n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f5r n ASN 79 N 0.00 0.99 -4.78 1.61 3.02 -1.26 -5.01 115.26 109.82 1f5r n ASN 79 Ca 0.00 -0.99 -0.34 0.00 -0.03 0.00 0.00 54.58 53.21 1f5r n ASN 79 Cb 0.00 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1f5r n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1f5r s GLU 80 N -2.85 3.35 -0.08 3.52 8.01 -1.25 -4.63 118.70 124.77 1f5r s GLU 80 Ca 0.08 1.47 0.02 0.00 0.01 0.00 0.00 54.97 56.55 1f5r s GLU 80 Cb 0.15 -2.02 0.01 0.00 -4.31 0.00 0.00 34.13 27.96 1f5r s GLU 80 CO 0.80 -0.82 -0.14 -0.65 0.01 0.00 0.00 175.26 174.46 1f5r s GLN 81 N -3.51 1.95 -0.23 1.61 -0.21 -0.38 -4.98 119.66 113.90 1f5r s GLN 81 Ca 0.69 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 55.53 1f5r s GLN 81 Cb -0.21 -1.59 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 1f5r s GLN 81 CO 0.29 0.03 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.43 1f5r s PHE 82 N 0.67 3.00 -0.02 0.91 0.40 -1.26 -0.98 117.98 120.70 1f5r s PHE 82 Ca -0.14 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 1f5r s PHE 82 Cb -0.16 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1f5r s PHE 82 CO 0.04 -0.50 -0.03 0.08 0.70 0.00 0.00 175.22 175.51 1f5r s VAL 83 N 1.51 0.33 0.45 -0.44 1.01 -0.34 -4.99 120.40 117.93 1f5r s VAL 83 Ca 0.06 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1f5r s VAL 83 Cb -0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 1f5r s VAL 83 CO -0.01 0.15 0.93 0.20 0.00 0.00 0.00 175.10 176.36 1f5r s ASN 84 N 0.57 6.75 0.08 3.32 -0.87 -1.26 0.33 114.94 123.86 1f5r s ASN 84 Ca -0.06 1.55 -0.30 0.00 -1.57 0.00 0.00 52.86 52.48 1f5r s ASN 84 Cb -0.09 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.25 38.59 1f5r s ASN 84 CO -0.01 -0.45 0.95 0.00 -2.57 0.00 0.00 177.10 175.02 1f5r s ALA 85 N -2.37 3.24 -0.18 0.60 0.00 -0.35 -1.07 121.76 121.62 1f5r s ALA 85 Ca 0.59 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 1f5r s ALA 85 Cb -0.10 -3.27 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 1f5r s ALA 85 CO 0.23 -0.06 0.13 0.00 0.00 0.00 0.00 175.76 176.06 1f5r n ALA 86 N 3.01 1.18 -2.90 0.00 0.00 0.13 -4.76 120.51 117.18 1f5r n ALA 86 Ca 0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.46 1f5r n ALA 86 Cb 0.50 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 1f5r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1f5r s LYS 87 N -2.54 0.30 -0.17 0.00 1.02 -1.05 -4.99 119.74 112.30 1f5r s LYS 87 Ca -0.26 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1f5r s LYS 87 Cb 0.08 -0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1f5r s LYS 87 CO 0.71 0.05 -0.12 0.42 -0.92 0.00 0.00 175.35 175.49 1f5r s ILE 88 N 0.04 1.56 -0.23 2.17 1.01 -1.26 -0.70 121.20 123.79 1f5r s ILE 88 Ca -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1f5r s ILE 88 Cb -0.03 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.95 1f5r s ILE 88 CO -0.00 0.33 -0.08 -0.63 0.00 0.00 0.00 174.94 174.56 1f5r s ILE 89 N 1.47 1.64 0.38 2.92 1.01 0.43 -5.00 121.20 124.06 1f5r s ILE 89 Ca 0.02 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 1f5r s ILE 89 Cb -0.14 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 1f5r s ILE 89 CO -0.10 -0.00 0.73 -0.54 0.00 0.00 0.00 174.94 175.03 1f5r s LYS 90 N 1.36 3.76 0.22 2.79 1.02 -1.26 -0.48 119.74 127.15 1f5r s LYS 90 Ca -0.05 0.39 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 1f5r s LYS 90 Cb -0.18 -2.44 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 1f5r s LYS 90 CO -0.07 0.01 1.65 -1.58 -0.92 0.00 0.00 175.35 174.44 1f5r s HIS 91 N -2.31 2.90 0.64 3.18 5.65 -0.80 -4.84 115.29 119.70 1f5r s HIS 91 Ca 0.50 0.54 0.32 0.00 0.25 0.00 0.00 55.06 56.67 1f5r s HIS 91 Cb -0.10 -4.07 1.75 0.00 -1.18 0.00 0.00 32.58 28.98 1f5r s HIS 91 CO 0.31 -3.88 2.04 -1.00 -0.65 0.00 0.00 174.74 171.56 1f5r h PRO 92 N 6.20 0.00 -0.41 2.88 0.13 -1.93 -1.89 132.00 136.99 1f5r h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1f5r h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1f5r h PRO 92 CO 0.90 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1f5r n ASN 93 N -3.28 4.63 -4.75 1.44 5.03 -1.26 -5.00 115.26 112.07 1f5r n ASN 93 Ca 0.00 -2.92 -0.41 0.00 0.87 0.00 0.00 54.58 52.11 1f5r n ASN 93 Cb 0.35 -0.59 -0.02 0.00 -1.02 0.00 0.00 39.78 38.50 1f5r n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1f5r s PHE 94 N -2.69 2.91 -0.25 3.10 5.36 -0.71 -4.68 117.98 121.02 1f5r s PHE 94 Ca 0.47 0.90 -0.02 0.00 -0.96 0.00 0.00 56.93 57.32 1f5r s PHE 94 Cb 0.36 -3.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 1f5r s PHE 94 CO 0.13 -3.10 -0.05 0.34 -1.46 0.00 0.00 175.22 171.08 1f5r s ASP 95 N 0.46 4.37 0.60 6.13 -1.08 -0.86 -4.99 116.67 121.30 1f5r s ASP 95 Ca 0.62 -0.81 0.38 0.00 -0.52 0.00 0.00 52.55 52.22 1f5r s ASP 95 Cb -0.44 -1.69 1.85 0.00 -1.46 0.00 0.00 42.92 41.18 1f5r s ASP 95 CO 0.45 -0.12 2.16 0.03 0.52 0.00 0.00 175.17 178.21 1f5r h ARG 96 N 8.04 0.00 0.02 4.34 3.08 -1.94 0.18 114.38 128.11 1f5r h ARG 96 Ca -0.34 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.40 1f5r h ARG 96 Cb 1.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 1f5r h ARG 96 CO 0.58 0.00 -1.74 1.17 -1.07 0.00 0.00 179.97 178.91 1f5r n LYS 97 N -3.11 0.61 0.07 0.04 4.81 -1.26 -4.52 118.16 114.80 1f5r n LYS 97 Ca -0.01 0.43 0.12 0.00 -0.87 0.00 0.00 58.31 57.98 1f5r n LYS 97 Cb 0.20 -1.67 0.06 0.00 0.02 0.00 0.00 35.03 33.64 1f5r n LYS 97 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1f5r n THR 98 N -4.18 0.41 -1.25 3.15 -2.24 -1.23 -4.97 114.28 103.98 1f5r n THR 98 Ca -0.38 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 1f5r n THR 98 Cb 0.80 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1f5r n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1f5r n LEU 99 N -2.30 -0.48 -4.75 3.22 4.32 0.64 -4.99 117.00 112.66 1f5r n LEU 99 Ca 0.02 0.21 -0.41 0.00 -0.02 0.00 0.00 56.01 55.81 1f5r n LEU 99 Cb 0.48 -1.74 -0.03 0.00 -1.62 0.00 0.00 43.42 40.51 1f5r n LEU 99 CO 0.39 -0.58 0.91 0.21 -1.22 0.00 0.00 177.39 177.10 1f5r s ASN 100 N -2.66 6.98 -1.01 -1.43 2.47 -1.25 -2.94 114.94 115.10 1f5r s ASN 100 Ca 0.00 2.44 -0.07 0.00 0.42 0.00 0.00 52.86 55.65 1f5r s ASN 100 Cb 0.00 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 1f5r s ASN 100 CO 0.00 -0.40 0.89 0.59 -3.72 0.00 0.00 177.10 174.46 1f5r n ASN 101 N 1.59 -5.22 -4.13 -4.21 3.02 -1.26 -2.03 115.26 103.01 1f5r n ASN 101 Ca 0.02 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 1f5r n ASN 101 Cb 0.43 -3.90 -0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1f5r n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1f5r n ASP 102 N -1.90 4.31 -3.86 6.41 2.03 -1.15 -4.29 116.55 118.09 1f5r n ASP 102 Ca 0.00 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.33 1f5r n ASP 102 Cb 0.55 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 39.14 1f5r n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1f5r s ILE 103 N 3.86 0.04 -0.04 5.18 2.07 -1.26 -3.88 121.20 127.17 1f5r s ILE 103 Ca 0.51 -0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 59.30 1f5r s ILE 103 Cb 0.09 -0.28 0.01 0.00 0.13 0.00 0.00 42.46 42.41 1f5r s ILE 103 CO -0.00 -0.20 0.20 -0.32 -1.91 0.00 0.00 174.94 172.70 1f5r s MET 104 N -0.66 0.40 -0.05 3.50 -2.45 0.27 -1.91 119.30 118.41 1f5r s MET 104 Ca -0.07 -0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 1f5r s MET 104 Cb -0.04 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.18 1f5r s MET 104 CO 0.01 -0.08 -0.10 -0.51 1.05 0.00 0.00 175.02 175.38 1f5r s LEU 105 N -0.67 2.99 -0.11 4.11 1.43 0.37 -0.55 118.68 126.24 1f5r s LEU 105 Ca -0.08 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1f5r s LEU 105 Cb -0.04 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1f5r s LEU 105 CO 0.01 0.34 -0.14 -0.63 0.23 0.00 0.00 176.35 176.17 1f5r s ILE 106 N -0.81 1.42 -0.21 -0.59 1.01 0.92 -0.43 121.20 122.51 1f5r s ILE 106 Ca 0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1f5r s ILE 106 Cb -0.11 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1f5r s ILE 106 CO 0.02 0.43 0.18 -0.75 0.00 0.00 0.00 174.94 174.82 1f5r s LYS 107 N 1.11 4.15 0.50 2.79 2.20 0.12 -0.46 119.74 130.16 1f5r s LYS 107 Ca -0.04 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.21 1f5r s LYS 107 Cb -0.14 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 1f5r s LYS 107 CO -0.03 0.18 1.02 -0.51 -0.36 0.00 0.00 175.35 175.65 1f5r s LEU 108 N 0.70 3.77 0.58 5.43 1.43 0.01 0.21 118.68 130.81 1f5r s LEU 108 Ca 0.10 1.82 0.27 0.00 -1.03 0.00 0.00 54.13 55.29 1f5r s LEU 108 Cb -0.12 -4.54 1.71 0.00 0.03 0.00 0.00 46.19 43.26 1f5r s LEU 108 CO 0.02 -0.75 2.22 0.77 0.23 0.00 0.00 176.35 178.84 1f5r h SER 109 N 1.34 0.00 -5.01 2.29 4.64 -1.40 -3.41 113.55 112.00 1f5r h SER 109 Ca -0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 1f5r h SER 109 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 1f5r h SER 109 CO 0.59 0.00 0.09 -0.94 -0.87 0.00 0.00 176.83 175.71 1f5r s SER 110 N -6.26 -0.49 0.57 4.97 1.04 -1.26 -5.00 113.70 107.27 1f5r s SER 110 Ca -0.05 0.21 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 1f5r s SER 110 Cb 0.15 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1f5r s SER 110 CO 0.57 -0.76 1.33 -2.65 0.98 0.00 0.00 173.24 172.72 1f5r n PRO 111 N 0.30 1.56 -3.18 4.02 -0.02 -1.26 -4.87 135.00 131.55 1f5r n PRO 111 Ca -0.18 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 1f5r n PRO 111 Cb 0.61 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1f5r n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1f5r s VAL 112 N -1.31 4.45 -0.35 -1.45 -7.23 -0.20 -5.02 120.40 109.29 1f5r s VAL 112 Ca 0.74 -0.52 -0.18 0.00 -1.81 0.00 0.00 61.98 60.21 1f5r s VAL 112 Cb -0.41 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 32.90 1f5r s VAL 112 CO 0.47 -0.42 0.51 -0.54 -0.31 0.00 0.00 175.10 174.82 1f5r s LYS 113 N -4.43 3.59 0.13 4.82 1.02 -1.26 -4.91 119.74 118.70 1f5r s LYS 113 Ca 0.45 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 1f5r s LYS 113 Cb -0.10 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 33.33 1f5r s LYS 113 CO 0.37 -0.66 1.07 -0.51 -0.92 0.00 0.00 175.35 174.70 1f5r s LEU 114 N 2.38 4.46 0.00 3.17 1.43 -1.26 -4.81 118.68 124.05 1f5r s LEU 114 Ca 0.18 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1f5r s LEU 114 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1f5r s LEU 114 CO 0.13 -0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.03 1f5r n ASN 115 N 2.84 0.00 0.26 2.29 0.23 -0.40 -4.98 115.26 115.50 1f5r n ASN 115 Ca 0.04 -0.35 0.14 0.00 -0.53 0.00 0.00 54.58 53.88 1f5r n ASN 115 Cb 0.47 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.84 1f5r n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f5r h ALA 116 N 1.65 1.09 0.00 -2.53 0.00 -2.00 -3.11 119.26 114.36 1f5r h ALA 116 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f5r h ALA 116 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1f5r h ALA 116 CO 0.00 0.14 -1.04 0.54 0.00 0.00 0.00 179.25 178.89 1f5r n ARG 117 N -3.36 1.10 -3.80 0.00 1.74 -1.26 -4.82 116.66 106.27 1f5r n ARG 117 Ca -0.01 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1f5r n ARG 117 Cb 0.31 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 1f5r n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1f5r s VAL 118 N -2.77 1.03 0.13 1.55 1.01 -1.18 -4.20 120.40 115.98 1f5r s VAL 118 Ca 0.04 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1f5r s VAL 118 Cb 0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1f5r s VAL 118 CO 0.72 -0.42 0.06 0.00 0.00 0.00 0.00 175.10 175.46 1f5r s ALA 119 N 1.58 0.85 0.35 5.51 0.00 -0.71 -1.28 121.76 128.06 1f5r s ALA 119 Ca 0.04 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1f5r s ALA 119 Cb -0.18 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1f5r s ALA 119 CO -0.15 -0.49 0.57 0.95 0.00 0.00 0.00 175.76 176.63 1f5r s THR 120 N -4.05 5.08 -0.01 0.00 -4.23 -1.26 -3.02 115.64 108.14 1f5r s THR 120 Ca 0.24 -0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1f5r s THR 120 Cb 0.07 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1f5r s THR 120 CO 0.02 -0.54 -0.19 0.54 -0.54 0.00 0.00 174.62 173.90 1f5r s VAL 121 N -2.31 2.65 0.45 2.29 0.11 -0.49 -4.85 120.40 118.26 1f5r s VAL 121 Ca 0.41 -0.98 -0.22 0.00 -2.93 0.00 0.00 61.98 58.26 1f5r s VAL 121 Cb -0.10 -2.03 -0.08 0.00 -1.53 0.00 0.00 36.38 32.64 1f5r s VAL 121 CO 0.36 0.52 1.06 0.00 -3.33 0.00 0.00 175.10 173.70 1f5r s ALA 122 N -0.75 2.95 0.55 1.54 0.00 -1.25 -4.59 121.76 120.22 1f5r s ALA 122 Ca 0.12 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1f5r s ALA 122 Cb -0.10 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 1f5r s ALA 122 CO 0.01 -0.32 1.00 -0.51 0.00 0.00 0.00 175.76 175.94 1f5r s LEU 123 N -3.16 3.50 0.45 0.00 1.43 -1.26 -0.83 118.68 118.81 1f5r s LEU 123 Ca 0.64 1.53 -0.25 0.00 -1.03 0.00 0.00 54.13 55.02 1f5r s LEU 123 Cb -0.20 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.44 1f5r s LEU 123 CO 0.24 -0.69 1.40 -2.16 0.23 0.00 0.00 176.35 175.37 1f5r s PRO 124 N -4.40 3.72 0.26 1.29 0.04 -1.25 -4.70 135.00 129.96 1f5r s PRO 124 Ca 0.58 2.36 0.22 0.00 0.04 0.00 0.00 61.00 64.19 1f5r s PRO 124 Cb -0.10 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 31.86 1f5r s PRO 124 CO 0.38 -0.77 1.20 0.66 0.04 0.00 0.00 177.00 178.52 1f5r h SER 125 N 2.36 0.00 -5.59 6.66 4.64 -1.95 -3.48 113.55 116.18 1f5r h SER 125 Ca -0.51 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1f5r h SER 125 Cb 1.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1f5r h SER 125 CO 0.61 0.07 0.71 -0.94 -0.87 0.00 0.00 176.83 176.41 1f5r s SER 127 N -5.68 -0.05 -0.10 4.97 1.04 -1.26 -5.13 113.70 107.49 1f5r s SER 127 Ca 0.02 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 1f5r s SER 127 Cb 0.08 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1f5r s SER 127 CO 0.76 -0.63 0.96 0.00 0.98 0.00 0.00 173.24 175.31 1f5r s ALA 129 N 1.81 3.49 0.64 0.00 0.00 -1.26 -5.00 121.76 121.44 1f5r s ALA 129 Ca 0.47 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 1f5r s ALA 129 Cb -0.18 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1f5r s ALA 129 CO 0.19 -0.48 1.06 -1.25 0.00 0.00 0.00 175.76 175.27 1f5r s PRO 130 N -0.91 3.12 0.53 0.00 0.04 -1.26 -4.97 135.00 131.55 1f5r s PRO 130 Ca 0.52 1.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 1f5r s PRO 130 Cb -0.36 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1f5r s PRO 130 CO 0.43 -0.96 1.16 0.00 0.04 0.00 0.00 177.00 177.67 1f5r n ALA 132 N -2.57 0.85 0.00 8.56 0.00 -1.26 -2.37 120.51 123.72 1f5r n ALA 132 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1f5r n ALA 132 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1f5r n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f5r n GLY 133 N 1.01 1.60 3.72 0.00 0.00 0.14 -4.96 105.19 106.69 1f5r n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1f5r n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5r s THR 134 N -2.37 3.21 0.10 2.61 2.01 -1.00 -4.69 115.64 115.52 1f5r s THR 134 Ca 0.00 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1f5r s THR 134 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1f5r s THR 134 CO 0.00 0.07 0.97 -1.58 -0.69 0.00 0.00 174.62 173.39 1f5r s GLN 135 N 1.12 4.67 0.31 4.92 2.00 -1.26 -1.15 119.66 130.27 1f5r s GLN 135 Ca 0.65 1.47 0.03 0.00 -2.00 0.00 0.00 55.36 55.51 1f5r s GLN 135 Cb -0.38 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 1f5r s GLN 135 CO 0.30 0.17 0.09 0.00 -0.50 0.00 0.00 175.29 175.35 1f5r s LEU 137 N -3.43 2.21 -0.12 0.00 2.96 0.64 -1.25 118.68 119.69 1f5r s LEU 137 Ca 0.35 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1f5r s LEU 137 Cb 0.07 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1f5r s LEU 137 CO 0.15 0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.51 1f5r s ILE 138 N 1.21 3.75 0.07 6.68 1.01 0.33 -1.16 121.20 133.09 1f5r s ILE 138 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1f5r s ILE 138 Cb -0.14 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1f5r s ILE 138 CO -0.10 0.54 -0.08 -0.94 0.00 0.00 0.00 174.94 174.36 1f5r s SER 139 N -0.11 1.06 0.00 3.58 1.04 -1.16 -0.86 113.70 117.24 1f5r s SER 139 Ca 0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1f5r s SER 139 Cb -0.13 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1f5r s SER 139 CO 0.03 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1f5r n GLY 140 N 0.85 1.06 1.41 7.32 0.00 -0.71 -4.27 105.19 110.86 1f5r n GLY 140 Ca -0.18 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1f5r n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1f5r n TRP 141 N -0.45 1.12 0.00 1.61 8.01 -1.26 -0.40 117.44 126.08 1f5r n TRP 141 Ca 0.00 -0.51 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 1f5r n TRP 141 Cb 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.23 1f5r n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1f5r n GLY 142 N 1.49 -0.20 5.93 6.99 0.00 -1.26 -4.51 105.19 113.63 1f5r n GLY 142 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1f5r n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f5r n ASN 143 N -1.15 0.00 -2.03 1.61 3.02 -1.26 -4.52 115.26 110.94 1f5r n ASN 143 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1f5r n ASN 143 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1f5r n ASN 143 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1f5r n GLU 151 N 0.00 -0.02 -2.04 3.52 4.07 -1.26 -4.32 120.64 120.58 1f5r n GLU 151 Ca 0.00 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.70 1f5r n GLU 151 Cb 0.00 -0.03 -0.03 0.00 -0.06 0.00 0.00 31.44 31.33 1f5r n GLU 151 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1f5r s PRO 152 N -1.37 4.28 0.00 5.31 0.04 -1.26 -4.91 135.00 137.08 1f5r s PRO 152 Ca 0.00 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1f5r s PRO 152 Cb -0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1f5r s PRO 152 CO 0.01 -0.41 0.00 -3.47 0.04 0.00 0.00 177.00 173.17 1f5r n ASP 153 N 2.64 0.00 -4.89 6.66 -0.08 -1.26 -4.79 116.55 114.83 1f5r n ASP 153 Ca 0.08 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.04 1f5r n ASP 153 Cb 0.41 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.82 1f5r n ASP 153 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1f5r s LEU 154 N -0.66 4.27 0.15 -2.67 1.43 -1.26 -2.15 118.68 117.79 1f5r s LEU 154 Ca 0.00 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 1f5r s LEU 154 Cb 0.00 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.84 1f5r s LEU 154 CO 0.00 0.06 1.56 -0.22 0.23 0.00 0.00 176.35 177.98 1f5r s LEU 155 N -2.55 4.37 0.03 1.79 2.96 -0.83 -4.73 118.68 119.73 1f5r s LEU 155 Ca 0.40 2.57 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 1f5r s LEU 155 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1f5r s LEU 155 CO 0.23 -0.81 0.10 -0.54 -1.32 0.00 0.00 176.35 174.01 1f5r s LYS 156 N 1.31 3.06 0.11 1.98 -0.14 0.47 -1.24 119.74 125.28 1f5r s LYS 156 Ca 0.70 -0.55 0.09 0.00 -1.36 0.00 0.00 55.97 54.85 1f5r s LYS 156 Cb -0.43 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1f5r s LYS 156 CO 0.31 0.61 -0.22 0.00 -0.76 0.00 0.00 175.35 175.30 1f5r s LEU 158 N -1.95 0.08 -0.27 0.00 2.96 -0.04 -1.01 118.68 118.45 1f5r s LEU 158 Ca 0.08 0.77 -0.12 0.00 -0.22 0.00 0.00 54.13 54.65 1f5r s LEU 158 Cb -0.10 1.16 -0.05 0.00 0.50 0.00 0.00 46.19 47.70 1f5r s LEU 158 CO 0.05 -0.18 0.21 -1.81 -1.32 0.00 0.00 176.35 173.30 1f5r s ASP 159 N 1.32 6.07 0.03 3.68 1.01 -1.26 -0.51 116.67 127.01 1f5r s ASP 159 Ca -0.09 0.06 -0.14 0.00 0.71 0.00 0.00 52.55 53.08 1f5r s ASP 159 Cb -0.09 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.73 1f5r s ASP 159 CO -0.11 -0.05 0.31 0.00 0.21 0.00 0.00 175.17 175.53 1f5r s ALA 160 N 1.68 -0.72 0.22 5.23 0.00 -0.38 -4.96 121.76 122.83 1f5r s ALA 160 Ca 0.08 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1f5r s ALA 160 Cb -0.16 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1f5r s ALA 160 CO 0.10 -0.37 0.42 -1.25 0.00 0.00 0.00 175.76 174.66 1f5r s PRO 161 N -2.20 3.54 0.12 0.00 0.04 -1.26 0.29 135.00 135.52 1f5r s PRO 161 Ca -0.07 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.37 1f5r s PRO 161 Cb -0.02 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 1f5r s PRO 161 CO -0.01 0.36 1.21 -0.51 0.04 0.00 0.00 177.00 178.09 1f5r s LEU 162 N -3.40 4.40 0.28 -3.56 1.43 -0.30 -2.14 118.68 115.39 1f5r s LEU 162 Ca 0.39 2.13 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 1f5r s LEU 162 Cb -0.11 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1f5r s LEU 162 CO 0.29 -0.44 0.56 -0.76 0.23 0.00 0.00 176.35 176.23 1f5r s LEU 163 N 0.53 4.07 0.46 1.79 1.43 -0.11 0.24 118.68 127.09 1f5r s LEU 163 Ca 0.57 0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 54.19 1f5r s LEU 163 Cb -0.31 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 1f5r s LEU 163 CO 0.32 -0.18 1.39 -2.84 0.23 0.00 0.00 176.35 175.28 1f5r s PRO 164 N -3.41 3.65 0.43 1.29 0.02 -1.26 -4.60 135.00 131.12 1f5r s PRO 164 Ca 0.45 2.34 0.13 0.00 0.02 0.00 0.00 61.00 63.94 1f5r s PRO 164 Cb -0.11 -2.61 1.00 0.00 0.02 0.00 0.00 34.50 32.80 1f5r s PRO 164 CO 0.28 -0.82 1.97 0.37 -0.33 0.00 0.00 177.00 178.47 1f5r h GLN 165 N 2.25 0.43 -0.75 5.54 5.75 -1.96 -1.73 115.11 124.64 1f5r h GLN 165 Ca -0.51 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1f5r h GLN 165 Cb 1.27 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 1f5r h GLN 165 CO 0.61 0.29 0.37 0.00 -2.65 0.00 0.00 178.83 177.45 1f5r h ALA 166 N 1.68 0.96 -0.13 3.38 0.00 -1.99 0.41 119.26 123.58 1f5r h ALA 166 Ca 0.29 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1f5r h ALA 166 Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1f5r h ALA 166 CO -0.08 0.51 -0.48 -0.44 0.00 0.00 0.00 179.25 178.76 1f5r h ASP 167 N 1.04 0.36 0.18 0.00 3.32 -1.70 -0.61 116.42 119.02 1f5r h ASP 167 Ca 0.26 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1f5r h ASP 167 Cb 0.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1f5r h ASP 167 CO -0.04 0.78 -0.09 0.00 -1.72 0.00 0.00 179.24 178.18 1f5r h GLU 169 N -0.46 1.17 -0.07 0.00 4.57 -0.81 -1.85 114.58 117.12 1f5r h GLU 169 Ca -0.02 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 1f5r h GLU 169 Cb 0.35 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1f5r h GLU 169 CO 0.04 0.78 -0.21 0.00 -1.18 0.00 0.00 179.01 178.44 1f5r h ALA 170 N 1.39 1.52 0.00 2.92 0.00 -0.99 -2.23 119.26 121.87 1f5r h ALA 170 Ca 0.38 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1f5r h ALA 170 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1f5r h ALA 170 CO -0.12 0.35 -0.92 0.77 0.00 0.00 0.00 179.25 179.33 1f5r h SER 171 N 0.11 0.00 -2.14 0.00 0.02 -0.69 -3.38 113.55 107.48 1f5r h SER 171 Ca 0.02 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.39 1f5r h SER 171 Cb 0.44 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.57 1f5r h SER 171 CO 0.03 0.92 -0.83 -1.22 -1.14 0.00 0.00 176.83 174.58 1f5r n TYR 172 N -3.41 1.70 -1.65 3.45 4.01 -0.78 -4.85 117.16 115.64 1f5r n TYR 172 Ca -0.00 -3.87 -0.59 0.00 -0.16 0.00 0.00 57.90 53.28 1f5r n TYR 172 Cb 0.88 -0.44 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 1f5r n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1f5r n PRO 173 N 1.20 0.86 -1.38 -0.72 -0.02 -0.87 -1.53 135.00 132.54 1f5r n PRO 173 Ca 0.26 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1f5r n PRO 173 Cb 0.46 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1f5r n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f5r n GLY 174 N 4.75 1.34 0.00 -1.23 0.00 -1.26 -4.85 105.19 103.94 1f5r n GLY 174 Ca 0.32 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1f5r n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f5r n LYS 175 N -2.13 4.29 -3.46 1.61 4.76 -0.58 -5.01 118.16 117.64 1f5r n LYS 175 Ca -0.13 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 54.92 1f5r n LYS 175 Cb 0.49 -0.82 -0.08 0.00 -1.84 0.00 0.00 35.03 32.78 1f5r n LYS 175 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1f5r s ILE 176 N -1.66 5.24 0.43 -0.18 -1.09 -1.25 -5.05 121.20 117.65 1f5r s ILE 176 Ca 0.01 0.59 0.08 0.00 -2.23 0.00 0.00 60.65 59.10 1f5r s ILE 176 Cb 0.04 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1f5r s ILE 176 CO 0.22 0.29 0.44 0.42 -1.23 0.00 0.00 174.94 175.08 1f5r s THR 177 N 1.12 2.63 -1.56 2.92 -4.23 -1.26 -4.99 115.64 110.26 1f5r s THR 177 Ca 0.17 -1.27 0.15 0.00 -1.18 0.00 0.00 61.69 59.56 1f5r s THR 177 Cb -0.14 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.10 1f5r s THR 177 CO 0.07 0.00 1.38 0.47 -0.54 0.00 0.00 174.62 176.00 1f5r n ASP 178 N -1.66 0.00 -1.46 3.99 8.00 -1.26 -1.90 116.55 122.26 1f5r n ASP 178 Ca 0.05 -0.05 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1f5r n ASP 178 Cb 0.61 -0.22 0.33 0.00 -0.02 0.00 0.00 41.12 41.82 1f5r n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f5r n ASN 179 N -1.22 4.30 -4.22 -2.24 3.02 -1.26 -4.91 115.26 108.72 1f5r n ASN 179 Ca 0.08 -2.33 -0.20 0.00 -0.03 0.00 0.00 54.58 52.10 1f5r n ASN 179 Cb 0.10 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.61 1f5r n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1f5r s MET 180 N -1.67 0.96 -0.01 3.52 -1.94 -0.80 -1.19 119.30 118.16 1f5r s MET 180 Ca 0.47 -1.08 -0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1f5r s MET 180 Cb 0.29 -1.04 -0.00 0.00 2.01 0.00 0.00 34.83 36.10 1f5r s MET 180 CO 0.25 0.23 0.07 0.54 -0.01 0.00 0.00 175.02 176.09 1f5r s VAL 181 N -1.39 0.05 -0.01 -6.03 0.11 -0.13 -4.81 120.40 108.19 1f5r s VAL 181 Ca 0.03 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.57 1f5r s VAL 181 Cb -0.09 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1f5r s VAL 181 CO 0.03 -0.23 0.29 0.00 -3.33 0.00 0.00 175.10 171.86 1f5r s VAL 183 N -1.20 0.18 -2.13 0.00 1.01 -0.85 -0.94 120.40 116.47 1f5r s VAL 183 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1f5r s VAL 183 Cb -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1f5r s VAL 183 CO 0.13 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1f5r n GLY 184 N 3.98 0.52 2.98 4.51 0.00 -0.91 -3.44 105.19 112.83 1f5r n GLY 184 Ca -0.25 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 1f5r n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f5r s PHE 184 N -4.00 0.90 -0.20 1.61 0.08 -1.26 -4.39 117.98 110.72 1f5r s PHE 184 Ca 0.00 -0.23 0.28 0.00 0.12 0.00 0.00 56.93 57.10 1f5r s PHE 184 Cb 0.00 -0.66 1.18 0.00 -0.57 0.00 0.00 43.02 42.97 1f5r s PHE 184 CO 0.00 -0.12 1.84 -0.07 -0.10 0.00 0.00 175.22 176.78 1f5r h LEU 185 N 6.52 0.00 -0.54 -0.37 3.38 -1.97 -1.58 115.31 120.75 1f5r h LEU 185 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1f5r h LEU 185 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1f5r h LEU 185 CO 0.49 0.00 -0.21 -0.62 0.09 0.00 0.00 178.44 178.18 1f5r n GLU 186 N -2.63 0.94 0.00 1.13 4.71 -1.26 0.18 120.64 123.71 1f5r n GLU 186 Ca 0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 57.16 56.62 1f5r n GLU 186 Cb 0.26 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1f5r n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f5r n GLY 187 N 1.31 -0.71 0.65 0.62 0.00 -0.59 -4.21 105.19 102.26 1f5r n GLY 187 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1f5r n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f5r n GLY 188 N 0.00 2.82 2.93 -0.02 0.00 0.21 -4.81 105.19 106.31 1f5r n GLY 188 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 1f5r n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5r s LYS 188 N 0.00 0.82 -0.03 1.61 1.02 -1.26 -4.19 119.74 117.71 1f5r s LYS 188 Ca 0.00 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1f5r s LYS 188 Cb 0.00 -0.80 0.11 0.00 -0.52 0.00 0.00 37.83 36.63 1f5r s LYS 188 CO 0.00 -0.00 1.15 0.34 -0.92 0.00 0.00 175.35 175.92 1f5r s ASP 189 N 0.57 -0.14 0.52 2.83 -1.08 -0.71 -4.49 116.67 114.18 1f5r s ASP 189 Ca -0.08 -0.13 -0.07 0.00 -0.52 0.00 0.00 52.55 51.75 1f5r s ASP 189 Cb -0.11 0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 41.56 1f5r s ASP 189 CO 0.00 -0.44 0.85 -0.94 0.52 0.00 0.00 175.17 175.16 1f5r s SER 190 N -2.68 6.21 0.14 -0.34 1.04 -1.26 -4.72 113.70 112.09 1f5r s SER 190 Ca 0.11 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 57.56 1f5r s SER 190 Cb 0.01 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1f5r s SER 190 CO -0.04 -0.68 0.19 0.00 0.98 0.00 0.00 173.24 173.70 1f5r n GLN 192 N -0.24 1.73 0.00 0.00 3.00 -1.26 -1.11 117.38 119.50 1f5r n GLN 192 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1f5r n GLN 192 Cb 0.24 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.12 1f5r n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f5r n GLY 193 N 3.42 2.19 0.05 1.08 0.00 -1.26 -4.37 105.19 106.29 1f5r n GLY 193 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1f5r n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f5r n ASP 194 N 0.00 0.54 -4.49 1.61 8.00 -0.27 -3.98 116.55 117.96 1f5r n ASP 194 Ca 0.00 -0.03 -0.48 0.00 0.71 0.00 0.00 54.79 54.99 1f5r n ASP 194 Cb 0.00 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.07 1f5r n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1f5r n SER 195 N -2.22 -0.02 0.00 -2.24 7.64 -1.26 -0.99 113.62 114.53 1f5r n SER 195 Ca -0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1f5r n SER 195 Cb 0.50 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1f5r n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f5r n GLY 196 N 1.74 2.57 3.66 0.23 0.00 0.03 0.03 105.19 113.46 1f5r n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1f5r n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f5r s GLY 197 N -1.83 1.58 0.30 -0.02 0.00 -0.16 -3.41 107.32 103.79 1f5r s GLY 197 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 1f5r s GLY 197 CO 0.00 0.38 0.67 2.56 0.00 0.00 0.00 173.10 176.71 1f5r s PRO 198 N -4.88 3.88 -0.26 2.90 0.04 -1.26 -1.20 135.00 134.21 1f5r s PRO 198 Ca 0.65 0.47 0.01 0.00 0.04 0.00 0.00 61.00 62.16 1f5r s PRO 198 Cb -0.19 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 31.92 1f5r s PRO 198 CO 0.58 0.18 0.00 0.08 0.04 0.00 0.00 177.00 177.88 1f5r s VAL 199 N -2.00 1.42 -0.14 -0.36 1.01 -0.54 -3.01 120.40 116.77 1f5r s VAL 199 Ca 0.51 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1f5r s VAL 199 Cb -0.11 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1f5r s VAL 199 CO 0.22 -0.31 -0.07 -0.69 0.00 0.00 0.00 175.10 174.24 1f5r s VAL 200 N 1.40 3.59 -0.10 2.92 1.01 -0.31 -1.08 120.40 127.84 1f5r s VAL 200 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1f5r s VAL 200 Cb -0.18 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1f5r s VAL 200 CO -0.11 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.42 1f5r n ASN 202 N 4.67 -2.05 0.00 0.00 3.02 -1.26 -1.90 115.26 117.74 1f5r n ASN 202 Ca -0.15 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1f5r n ASN 202 Cb 0.50 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1f5r n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f5r n GLY 203 N -1.68 0.54 3.31 7.41 0.00 -1.26 -5.01 105.19 108.50 1f5r n GLY 203 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1f5r n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f5r s GLU 204 N -0.43 1.59 -0.63 1.61 2.02 -0.80 -3.84 118.70 118.23 1f5r s GLU 204 Ca 0.00 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 53.64 1f5r s GLU 204 Cb 0.00 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1f5r s GLU 204 CO 0.00 0.45 1.40 -1.17 0.02 0.00 0.00 175.26 175.97 1f5r s LEU 209 N -1.33 3.32 -0.01 1.80 2.96 -0.01 -1.07 118.68 124.34 1f5r s LEU 209 Ca 0.10 0.04 0.22 0.00 -0.22 0.00 0.00 54.13 54.27 1f5r s LEU 209 Cb -0.10 -2.85 -0.29 0.00 0.50 0.00 0.00 46.19 43.46 1f5r s LEU 209 CO 0.02 -1.81 0.53 0.00 -1.32 0.00 0.00 176.35 173.78 1f5r n GLN 210 N 8.93 0.65 -3.87 1.98 1.13 -0.24 -3.86 117.38 122.09 1f5r n GLN 210 Ca 0.10 -0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 54.93 1f5r n GLN 210 Cb 0.49 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 1f5r n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1f5r s GLY 211 N -4.57 0.21 -0.09 1.08 0.00 -0.90 -2.24 107.32 100.81 1f5r s GLY 211 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1f5r s GLY 211 CO 0.89 -0.75 -0.12 -0.42 0.00 0.00 0.00 173.10 172.69 1f5r s ILE 212 N -3.90 1.26 0.04 0.90 1.01 -0.93 -1.47 121.20 118.11 1f5r s ILE 212 Ca 0.10 -0.51 -0.33 0.00 0.00 0.00 0.00 60.65 59.91 1f5r s ILE 212 Cb 0.04 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.21 1f5r s ILE 212 CO -0.06 0.39 1.78 0.52 0.00 0.00 0.00 174.94 177.57 1f5r n VAL 213 N 4.22 0.36 0.00 2.92 0.31 -0.34 -1.09 118.33 124.71 1f5r n VAL 213 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1f5r n VAL 213 Cb 0.51 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1f5r n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1f5r n SER 214 N 5.42 0.03 -2.76 4.52 2.88 -1.14 -0.79 113.62 121.78 1f5r n SER 214 Ca 0.20 0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1f5r n SER 214 Cb 0.31 -0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1f5r n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1f5r n TRP 215 N -2.53 -1.96 0.00 0.66 4.27 -0.95 -4.91 117.44 112.03 1f5r n TRP 215 Ca 0.00 -1.93 0.00 0.00 -3.89 0.00 0.00 57.50 51.68 1f5r n TRP 215 Cb 0.00 0.74 0.00 0.00 -1.36 0.00 0.00 31.31 30.69 1f5r n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1f5r n GLY 216 N -0.52 1.32 3.49 -1.67 0.00 -1.26 -0.03 105.19 106.51 1f5r n GLY 216 Ca -0.05 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1f5r n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f5r s TYR 217 N -2.00 3.03 0.00 1.61 2.02 -1.26 -4.89 117.35 115.86 1f5r s TYR 217 Ca 0.00 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1f5r s TYR 217 Cb 0.00 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1f5r s TYR 217 CO 0.00 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.41 1f5r n GLY 219 N 5.10 -0.86 2.86 0.71 0.00 -1.26 -4.72 105.19 107.01 1f5r n GLY 219 Ca -0.03 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 1f5r n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f5r n ALA 221 N 3.85 -0.32 -1.91 0.00 0.00 -1.26 -4.91 120.51 115.96 1f5r n ALA 221 Ca -0.24 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 1f5r n ALA 221 Cb 0.52 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 1f5r n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f5r s LEU 221 N -4.53 4.09 0.44 0.00 1.43 -1.26 -0.62 118.68 118.23 1f5r s LEU 221 Ca 0.00 1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 54.46 1f5r s LEU 221 Cb 0.00 -4.24 -0.08 0.00 0.03 0.00 0.00 46.19 41.90 1f5r s LEU 221 CO 0.00 -0.23 1.23 -2.84 0.23 0.00 0.00 176.35 174.74 1f5r s PRO 222 N -2.79 3.81 0.00 1.29 0.02 -1.26 -2.63 135.00 133.44 1f5r s PRO 222 Ca 0.56 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1f5r s PRO 222 Cb -0.12 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.85 1f5r s PRO 222 CO 0.17 -0.56 0.00 -3.47 -0.33 0.00 0.00 177.00 172.81 1f5r n ASP 223 N -0.24 -4.54 -3.18 2.53 2.03 0.13 -4.91 116.55 108.37 1f5r n ASP 223 Ca 0.06 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.13 1f5r n ASP 223 Cb 0.46 -2.16 -0.07 0.00 -0.72 0.00 0.00 41.12 38.64 1f5r n ASP 223 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1f5r n ASN 224 N -0.54 -0.03 -4.75 1.67 4.13 -1.08 -4.61 115.26 110.05 1f5r n ASN 224 Ca 0.00 -2.70 -0.30 0.00 1.68 0.00 0.00 54.58 53.27 1f5r n ASN 224 Cb 0.27 -0.51 0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1f5r n ASN 224 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1f5r s PRO 225 N -1.00 1.49 0.47 3.52 0.04 -1.26 -4.33 135.00 133.93 1f5r s PRO 225 Ca 0.35 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 61.88 1f5r s PRO 225 Cb 0.16 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1f5r s PRO 225 CO -0.12 -2.05 1.20 0.20 0.04 0.00 0.00 177.00 176.26 1f5r s GLY 226 N -3.61 2.80 -0.11 0.56 0.00 -1.22 -4.75 107.32 100.98 1f5r s GLY 226 Ca 0.63 1.00 -0.03 0.00 0.00 0.00 0.00 44.72 46.31 1f5r s GLY 226 CO 0.56 1.47 0.00 0.14 0.00 0.00 0.00 173.10 175.27 1f5r s VAL 227 N -1.50 4.32 0.10 1.40 1.01 0.95 -2.01 120.40 124.67 1f5r s VAL 227 Ca 0.64 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1f5r s VAL 227 Cb -0.30 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1f5r s VAL 227 CO 0.37 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.57 1f5r s TYR 228 N -0.50 1.45 0.09 5.22 2.02 0.15 -2.23 117.35 123.56 1f5r s TYR 228 Ca 0.09 -0.49 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1f5r s TYR 228 Cb -0.12 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.59 1f5r s TYR 228 CO 0.02 0.14 1.22 0.99 -1.57 0.00 0.00 175.55 176.35 1f5r s THR 229 N -1.61 3.86 -0.92 -0.71 2.01 -0.25 -0.96 115.64 117.05 1f5r s THR 229 Ca 0.05 1.38 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 1f5r s THR 229 Cb -0.08 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1f5r s THR 229 CO 0.03 0.13 1.34 -0.75 -0.69 0.00 0.00 174.62 174.69 1f5r s LYS 230 N 0.80 3.47 0.43 4.92 2.20 -0.34 -2.19 119.74 129.04 1f5r s LYS 230 Ca 0.58 -0.98 0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1f5r s LYS 230 Cb -0.31 -4.97 1.03 0.00 -1.51 0.00 0.00 37.83 32.07 1f5r s LYS 230 CO 0.31 -2.12 1.96 0.28 -0.36 0.00 0.00 175.35 175.42 1f5r h VAL 231 N 6.46 0.87 0.00 4.02 2.07 -1.74 -2.66 116.25 125.26 1f5r h VAL 231 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1f5r h VAL 231 Cb 1.02 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1f5r h VAL 231 CO 1.34 0.08 0.07 0.00 0.02 0.00 0.00 177.57 179.07 1f5r n ASN 233 N -2.92 0.32 -0.02 0.00 3.02 -1.00 -4.02 115.26 110.64 1f5r n ASN 233 Ca -0.03 -0.16 0.03 0.00 -0.03 0.00 0.00 54.58 54.39 1f5r n ASN 233 Cb 0.13 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1f5r n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1f5r n TYR 234 N -1.26 0.00 -0.20 3.10 4.01 0.25 -4.78 117.16 118.28 1f5r n TYR 234 Ca 0.10 -0.65 -0.05 0.00 -0.16 0.00 0.00 57.90 57.14 1f5r n TYR 234 Cb 0.31 -0.08 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 1f5r n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1f5r h VAL 235 N 0.00 1.07 -0.55 -0.72 2.07 -1.68 -0.34 116.25 116.09 1f5r h VAL 235 Ca 0.00 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1f5r h VAL 235 Cb 0.65 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1f5r h VAL 235 CO 0.00 0.13 0.01 0.44 0.02 0.00 0.00 177.57 178.17 1f5r h ASP 236 N 0.70 0.95 -0.63 0.57 3.32 -1.90 -0.65 116.42 118.78 1f5r h ASP 236 Ca 0.23 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1f5r h ASP 236 Cb 0.02 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1f5r h ASP 236 CO -0.10 1.01 0.33 -0.25 -1.72 0.00 0.00 179.24 178.52 1f5r h TRP 237 N 0.85 0.88 0.33 4.55 7.01 -1.81 0.22 115.95 127.98 1f5r h TRP 237 Ca 0.16 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1f5r h TRP 237 Cb 0.52 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1f5r h TRP 237 CO 0.04 0.64 -0.16 0.82 -2.79 0.00 0.00 178.44 176.99 1f5r h ILE 238 N 0.86 0.69 -0.81 2.65 2.04 -0.82 -0.36 117.51 121.75 1f5r h ILE 238 Ca 0.22 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1f5r h ILE 238 Cb 0.07 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1f5r h ILE 238 CO -0.03 0.05 0.53 1.56 0.00 0.00 0.00 178.15 180.26 1f5r h GLN 239 N -0.59 1.04 -0.57 2.37 4.20 -0.97 -1.07 115.11 119.52 1f5r h GLN 239 Ca -0.05 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1f5r h GLN 239 Cb 0.43 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1f5r h GLN 239 CO 0.08 0.69 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.48 1f5r h ASP 240 N 1.07 1.00 -0.57 1.46 3.32 -0.51 -2.40 116.42 119.79 1f5r h ASP 240 Ca 0.30 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1f5r h ASP 240 Cb -0.10 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1f5r h ASP 240 CO -0.07 1.06 0.05 0.74 -1.72 0.00 0.00 179.24 179.30 1f5r h THR 241 N 0.90 1.26 -0.51 0.35 2.02 -0.63 -2.19 112.91 114.11 1f5r h THR 241 Ca 0.16 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 1f5r h THR 241 Cb 0.56 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1f5r h THR 241 CO 0.03 0.38 0.02 0.40 0.37 0.00 0.00 175.52 176.72 1f5r h ILE 242 N 0.87 1.25 -0.07 3.11 2.04 -1.16 -2.50 117.51 121.06 1f5r h ILE 242 Ca 0.17 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1f5r h ILE 242 Cb 0.48 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1f5r h ILE 242 CO 0.02 0.36 -0.39 0.00 0.00 0.00 0.00 178.15 178.15 1f5r h ALA 243 N 1.22 1.24 -0.07 1.87 0.00 -1.23 -2.96 119.26 119.32 1f5r h ALA 243 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1f5r h ALA 243 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f5r h ALA 243 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1f5r n ALA 244 N -2.47 2.53 -0.66 0.00 0.00 -0.84 -5.11 120.51 113.96 1f5r n ALA 244 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1f5r n ALA 244 Cb 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1f5r n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59