#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7r s ILE 2 N 0.00 4.99 0.07 0.53 1.01 -1.26 -4.97 121.20 121.56 1a7r s ILE 2 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 60.65 62.03 1a7r s ILE 2 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1a7r s ILE 2 CO 0.00 0.12 0.02 0.68 0.00 0.00 0.00 174.94 175.76 1a7r s VAL 3 N 1.75 4.20 -0.13 2.92 -7.23 -1.26 -4.74 120.40 115.91 1a7r s VAL 3 Ca 0.33 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1a7r s VAL 3 Cb -0.16 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 1a7r s VAL 3 CO 0.12 0.18 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.28 1a7r s LEU 4 N -2.16 3.22 -0.14 1.32 1.43 -1.26 -0.84 118.68 120.24 1a7r s LEU 4 Ca 0.25 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1a7r s LEU 4 Cb -0.12 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1a7r s LEU 4 CO 0.18 0.23 -0.21 -0.89 0.23 0.00 0.00 176.35 175.89 1a7r s THR 5 N -0.01 2.21 -0.03 5.49 2.01 0.76 -3.98 115.64 122.10 1a7r s THR 5 Ca 0.00 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1a7r s THR 5 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1a7r s THR 5 CO 0.03 0.54 0.10 -1.10 -0.69 0.00 0.00 174.62 173.50 1a7r s GLN 6 N 0.78 3.19 -0.03 4.92 -0.21 -1.26 0.37 119.66 127.41 1a7r s GLN 6 Ca -0.08 -0.39 -0.09 0.00 0.02 0.00 0.00 55.36 54.82 1a7r s GLN 6 Cb -0.16 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 30.92 1a7r s GLN 6 CO -0.01 0.68 0.21 -1.54 -2.12 0.00 0.00 175.29 172.51 1a7r s SER 7 N -1.60 -0.12 0.78 5.90 1.04 0.24 -4.43 113.70 115.51 1a7r s SER 7 Ca 0.22 0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 1a7r s SER 7 Cb -0.12 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.39 1a7r s SER 7 CO 0.12 -0.28 1.14 -2.16 0.98 0.00 0.00 173.24 173.04 1a7r s PRO 8 N -0.81 2.20 0.30 4.02 0.04 -1.26 -1.14 135.00 138.35 1a7r s PRO 8 Ca -0.09 0.30 0.13 0.00 0.04 0.00 0.00 61.00 61.37 1a7r s PRO 8 Cb -0.05 -1.96 0.41 0.00 0.04 0.00 0.00 34.50 32.94 1a7r s PRO 8 CO 0.02 -1.47 1.63 0.00 0.04 0.00 0.00 177.00 177.22 1a7r h ALA 9 N -0.97 0.94 -2.50 8.56 0.00 -1.81 -3.41 119.26 120.08 1a7r h ALA 9 Ca -0.46 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 1a7r h ALA 9 Cb 1.30 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1a7r h ALA 9 CO 0.64 0.70 -0.15 -1.54 0.00 0.00 0.00 179.25 178.90 1a7r s SER 10 N -6.70 -0.41 -0.01 0.00 1.04 -1.26 -0.91 113.70 105.44 1a7r s SER 10 Ca -0.01 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1a7r s SER 10 Cb 0.12 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1a7r s SER 10 CO 0.74 -0.32 0.01 -0.22 0.98 0.00 0.00 173.24 174.43 1a7r s LEU 11 N -0.46 1.64 -0.19 2.42 2.96 0.43 -4.92 118.68 120.56 1a7r s LEU 11 Ca -0.06 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1a7r s LEU 11 Cb -0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1a7r s LEU 11 CO 0.03 -0.04 0.09 -0.44 -1.32 0.00 0.00 176.35 174.67 1a7r s SER 12 N 0.41 5.86 0.06 3.68 0.01 -1.26 -0.83 113.70 121.64 1a7r s SER 12 Ca -0.04 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 1a7r s SER 12 Cb -0.05 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1a7r s SER 12 CO -0.01 0.16 0.24 0.00 0.41 0.00 0.00 173.24 174.04 1a7r s ALA 13 N 0.44 -0.46 0.18 1.44 0.00 0.13 -4.83 121.76 118.67 1a7r s ALA 13 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1a7r s ALA 13 Cb -0.12 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1a7r s ALA 13 CO -0.00 -0.44 0.28 -1.12 0.00 0.00 0.00 175.76 174.47 1a7r s SER 14 N -2.37 6.15 0.51 0.00 0.01 -1.26 -0.15 113.70 116.61 1a7r s SER 14 Ca -0.01 0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.10 1a7r s SER 14 Cb 0.01 -1.79 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 1a7r s SER 14 CO -0.06 0.02 1.14 0.52 0.41 0.00 0.00 173.24 175.26 1a7r n VAL 15 N -0.79 3.25 0.00 3.43 0.31 -1.26 -1.65 118.33 121.62 1a7r n VAL 15 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1a7r n VAL 15 Cb 0.55 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1a7r n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a7r n GLY 16 N 1.03 3.00 3.80 2.92 0.00 0.37 -4.83 105.19 111.48 1a7r n GLY 16 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1a7r n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a7r s GLU 17 N -0.15 3.26 -0.20 1.61 2.02 -0.66 -3.96 118.70 120.62 1a7r s GLU 17 Ca 0.00 1.19 -0.06 0.00 0.02 0.00 0.00 54.97 56.12 1a7r s GLU 17 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1a7r s GLU 17 CO 0.00 -0.85 0.04 0.99 0.02 0.00 0.00 175.26 175.45 1a7r s THR 18 N -2.49 4.33 0.16 3.63 2.01 -1.26 0.16 115.64 122.17 1a7r s THR 18 Ca 0.63 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1a7r s THR 18 Cb -0.16 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1a7r s THR 18 CO 0.38 0.42 -0.15 0.68 -0.69 0.00 0.00 174.62 175.26 1a7r s VAL 19 N 0.89 1.59 -0.04 3.82 -7.23 0.09 -4.95 120.40 114.57 1a7r s VAL 19 Ca 0.02 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1a7r s VAL 19 Cb -0.14 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.00 1a7r s VAL 19 CO 0.02 -0.46 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.35 1a7r s THR 20 N -2.45 0.94 0.06 5.32 2.01 -1.26 -0.42 115.64 119.84 1a7r s THR 20 Ca 0.16 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.84 1a7r s THR 20 Cb -0.03 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1a7r s THR 20 CO 0.05 0.30 -0.24 0.27 -0.69 0.00 0.00 174.62 174.31 1a7r s ILE 21 N 0.42 1.95 0.09 1.82 -4.36 0.14 -4.78 121.20 116.47 1a7r s ILE 21 Ca -0.08 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 1a7r s ILE 21 Cb -0.12 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1a7r s ILE 21 CO 0.02 0.22 -0.18 -0.89 0.24 0.00 0.00 174.94 174.35 1a7r s THR 22 N -0.88 2.82 -0.10 8.37 2.01 -0.29 -0.69 115.64 126.88 1a7r s THR 22 Ca 0.10 -1.39 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 1a7r s THR 22 Cb -0.10 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.19 1a7r s THR 22 CO 0.03 0.18 -0.03 0.00 -0.69 0.00 0.00 174.62 174.11 1a7r s ARG 24 N 1.85 2.64 0.00 0.00 3.00 0.16 -1.15 118.95 125.44 1a7r s ARG 24 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 55.73 55.00 1a7r s ARG 24 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 34.95 32.43 1a7r s ARG 24 CO -0.07 0.49 0.15 0.00 0.00 0.00 0.00 175.30 175.88 1a7r s ALA 25 N -0.41 3.84 -2.12 2.13 0.00 -0.18 -0.17 121.76 124.84 1a7r s ALA 25 Ca 0.04 -0.82 0.17 0.00 0.00 0.00 0.00 51.96 51.36 1a7r s ALA 25 Cb -0.12 -1.77 0.79 0.00 0.00 0.00 0.00 23.12 22.03 1a7r s ALA 25 CO 0.02 0.74 1.54 -1.13 0.00 0.00 0.00 175.76 176.93 1a7r n SER 26 N 0.92 0.90 -3.53 0.00 3.41 -0.02 -4.78 113.62 110.52 1a7r n SER 26 Ca -0.11 -1.64 -0.12 0.00 -0.26 0.00 0.00 58.87 56.74 1a7r n SER 26 Cb 0.52 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1a7r n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a7r s GLY 27 N -1.48 -0.47 0.15 5.00 0.00 -1.26 -4.90 107.32 104.36 1a7r s GLY 27 Ca 0.27 0.38 -0.31 0.00 0.00 0.00 0.00 44.72 45.06 1a7r s GLY 27 CO 0.21 0.08 1.65 0.21 0.00 0.00 0.00 173.10 175.25 1a7r s ASN 28 N -2.52 6.53 0.00 1.64 3.84 -1.26 -4.69 114.94 118.47 1a7r s ASN 28 Ca -0.00 2.66 0.10 0.00 0.21 0.00 0.00 52.86 55.83 1a7r s ASN 28 Cb -0.00 -2.59 0.11 0.00 -0.55 0.00 0.00 41.25 38.22 1a7r s ASN 28 CO -0.09 -0.89 0.88 2.30 -2.79 0.00 0.00 177.10 176.51 1a7r n ILE 29 N 4.19 0.18 -3.94 -5.21 -5.35 -1.11 -5.01 119.36 103.12 1a7r n ILE 29 Ca 0.15 -0.59 -0.29 0.00 -0.27 0.00 0.00 62.75 61.75 1a7r n ILE 29 Cb 0.38 1.08 0.01 0.00 -1.74 0.00 0.00 39.64 39.37 1a7r n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1a7r n HIS 30 N 0.52 -2.01 -0.89 4.28 8.25 -1.26 -2.08 115.22 122.04 1a7r n HIS 30 Ca 0.06 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1a7r n HIS 30 Cb 0.27 -3.83 0.00 0.00 1.12 0.00 0.00 29.99 27.56 1a7r n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a7r n ASN 31 N -2.87 -2.80 -4.23 0.41 4.13 -1.26 -4.92 115.26 103.72 1a7r n ASN 31 Ca -0.08 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.75 1a7r n ASN 31 Cb 0.58 -1.88 0.00 0.00 -1.54 0.00 0.00 39.78 36.94 1a7r n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a7r n TYR 32 N -2.26 4.18 -4.12 3.10 4.01 -0.88 -3.25 117.16 117.93 1a7r n TYR 32 Ca 0.00 -2.98 -0.20 0.00 -0.16 0.00 0.00 57.90 54.57 1a7r n TYR 32 Cb 0.17 -2.42 -0.16 0.00 -0.31 0.00 0.00 39.34 36.62 1a7r n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a7r s LEU 33 N 2.48 1.29 0.12 7.72 2.96 -1.26 -1.33 118.68 130.67 1a7r s LEU 33 Ca 0.48 -0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1a7r s LEU 33 Cb 0.06 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1a7r s LEU 33 CO 0.01 -0.06 -0.16 0.00 -1.32 0.00 0.00 176.35 174.82 1a7r s ALA 34 N 0.95 2.76 -0.00 5.97 0.00 -0.19 -0.65 121.76 130.60 1a7r s ALA 34 Ca -0.11 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 50.57 1a7r s ALA 34 Cb -0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1a7r s ALA 34 CO -0.00 0.58 -0.23 -1.58 0.00 0.00 0.00 175.76 174.53 1a7r s TRP 35 N -1.24 2.42 0.07 0.00 0.52 0.18 -1.12 118.94 119.77 1a7r s TRP 35 Ca 0.19 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 56.00 1a7r s TRP 35 Cb -0.10 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1a7r s TRP 35 CO 0.11 0.07 -0.14 0.71 0.02 0.00 0.00 176.95 177.73 1a7r s TYR 36 N -0.72 1.18 -0.01 -1.98 2.02 0.54 -1.29 117.35 117.09 1a7r s TYR 36 Ca 0.11 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1a7r s TYR 36 Cb -0.10 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 1a7r s TYR 36 CO 0.01 0.05 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.73 1a7r s GLN 37 N -1.73 2.31 -0.12 -0.62 0.74 0.45 -1.18 119.66 119.52 1a7r s GLN 37 Ca -0.03 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 1a7r s GLN 37 Cb -0.10 -2.28 0.03 0.00 1.10 0.00 0.00 33.01 31.76 1a7r s GLN 37 CO 0.02 0.59 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.16 1a7r s GLN 38 N -0.99 1.25 0.30 1.67 0.74 0.06 -0.14 119.66 122.56 1a7r s GLN 38 Ca 0.13 -0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.29 1a7r s GLN 38 Cb -0.11 -1.54 -0.04 0.00 1.10 0.00 0.00 33.01 32.42 1a7r s GLN 38 CO 0.02 -0.32 0.54 0.15 -0.55 0.00 0.00 175.29 175.13 1a7r s LYS 39 N 1.77 3.57 -0.13 1.67 1.02 -1.26 -1.96 119.74 124.42 1a7r s LYS 39 Ca 0.04 -0.14 -0.39 0.00 0.02 0.00 0.00 55.97 55.51 1a7r s LYS 39 Cb -0.13 -2.66 -0.16 0.00 -0.52 0.00 0.00 37.83 34.35 1a7r s LYS 39 CO -0.07 0.20 1.58 0.94 -0.92 0.00 0.00 175.35 177.07 1a7r n GLN 40 N -1.23 1.16 -0.95 1.68 -0.06 -1.26 -0.67 117.38 116.05 1a7r n GLN 40 Ca -0.03 0.42 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 1a7r n GLN 40 Cb 0.55 -2.09 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 1a7r n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a7r n GLY 41 N 3.50 0.76 3.60 1.69 0.00 -1.26 -5.02 105.19 108.46 1a7r n GLY 41 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1a7r n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a7r s LYS 42 N -0.16 1.92 0.63 1.61 -0.14 0.15 -5.13 119.74 118.62 1a7r s LYS 42 Ca 0.00 -2.03 -0.08 0.00 -1.36 0.00 0.00 55.97 52.49 1a7r s LYS 42 Cb 0.00 -1.68 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 1a7r s LYS 42 CO 0.00 0.02 0.98 -1.54 -0.76 0.00 0.00 175.35 174.05 1a7r s SER 43 N -3.68 5.64 0.63 2.83 1.04 -1.26 -4.58 113.70 114.33 1a7r s SER 43 Ca 0.34 0.95 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 1a7r s SER 43 Cb 0.07 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 1a7r s SER 43 CO 0.18 -1.12 1.22 -2.84 0.98 0.00 0.00 173.24 171.66 1a7r s PRO 44 N -5.13 2.71 -0.07 4.02 0.02 -1.26 -4.56 135.00 130.72 1a7r s PRO 44 Ca 0.55 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.44 1a7r s PRO 44 Cb -0.11 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.53 1a7r s PRO 44 CO 0.48 -1.41 -0.15 -0.65 -0.33 0.00 0.00 177.00 174.94 1a7r s GLN 45 N -3.49 2.00 0.17 5.54 1.11 0.80 -4.93 119.66 120.85 1a7r s GLN 45 Ca 0.77 -0.53 -0.31 0.00 0.01 0.00 0.00 55.36 55.30 1a7r s GLN 45 Cb -0.31 -1.61 -0.10 0.00 -1.01 0.00 0.00 33.01 29.98 1a7r s GLN 45 CO 0.37 0.08 1.55 -1.17 0.01 0.00 0.00 175.29 176.13 1a7r s LEU 46 N 0.54 4.37 -0.10 2.90 2.96 -1.26 -0.41 118.68 127.67 1a7r s LEU 46 Ca -0.15 2.60 -0.07 0.00 -0.22 0.00 0.00 54.13 56.30 1a7r s LEU 46 Cb -0.16 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1a7r s LEU 46 CO 0.05 -0.81 -0.17 0.18 -1.32 0.00 0.00 176.35 174.29 1a7r n LEU 47 N 3.83 1.07 -3.94 -0.68 4.77 -0.41 -4.76 117.00 116.89 1a7r n LEU 47 Ca 0.13 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1a7r n LEU 47 Cb 0.39 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1a7r n LEU 47 CO 0.61 0.06 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.66 1a7r s VAL 48 N -2.29 0.26 0.06 4.08 1.01 -1.16 -0.01 120.40 122.36 1a7r s VAL 48 Ca -0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1a7r s VAL 48 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1a7r s VAL 48 CO 0.22 -0.03 -0.03 -0.72 0.00 0.00 0.00 175.10 174.55 1a7r s TYR 49 N -0.34 0.59 -1.43 5.22 1.13 0.44 -0.65 117.35 122.32 1a7r s TYR 49 Ca -0.02 -1.07 -0.03 0.00 -1.41 0.00 0.00 57.07 54.55 1a7r s TYR 49 Cb -0.03 -0.41 0.02 0.00 -1.10 0.00 0.00 41.96 40.44 1a7r s TYR 49 CO -0.00 -0.37 0.54 0.98 -2.51 0.00 0.00 175.55 174.19 1a7r n TYR 50 N 0.08 -1.74 0.00 -3.49 9.36 -0.92 -1.07 117.16 119.38 1a7r n TYR 50 Ca -0.13 0.78 0.00 0.00 3.32 0.00 0.00 57.90 61.87 1a7r n TYR 50 Cb 0.61 -3.79 0.00 0.00 -0.63 0.00 0.00 39.34 35.53 1a7r n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a7r n THR 51 N -4.40 0.00 0.05 2.97 -1.04 0.18 -4.10 114.28 107.94 1a7r n THR 51 Ca -0.25 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1a7r n THR 51 Cb 0.65 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1a7r n THR 51 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1a7r n THR 52 N 0.00 0.00 -2.86 12.58 -2.24 -1.21 -3.67 114.28 116.88 1a7r n THR 52 Ca 0.00 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1a7r n THR 52 Cb 0.00 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1a7r n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a7r s THR 53 N -0.85 4.82 0.34 4.28 2.01 -0.23 -4.59 115.64 121.42 1a7r s THR 53 Ca 0.01 1.64 -0.26 0.00 0.31 0.00 0.00 61.69 63.38 1a7r s THR 53 Cb 0.01 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1a7r s THR 53 CO 0.04 -0.08 1.03 -0.76 -0.69 0.00 0.00 174.62 174.16 1a7r s LEU 54 N 2.82 4.33 0.76 4.42 1.43 -1.26 -0.42 118.68 130.76 1a7r s LEU 54 Ca 0.36 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 1a7r s LEU 54 Cb -0.15 -3.96 0.05 0.00 0.03 0.00 0.00 46.19 42.16 1a7r s LEU 54 CO 0.08 -0.26 1.09 0.00 0.23 0.00 0.00 176.35 177.48 1a7r s ALA 55 N -1.48 2.44 0.34 4.21 0.00 0.99 -4.92 121.76 123.34 1a7r s ALA 55 Ca 0.51 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1a7r s ALA 55 Cb -0.24 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 1a7r s ALA 55 CO 0.31 -1.53 1.54 -0.51 0.00 0.00 0.00 175.76 175.57 1a7r s ASP 56 N -3.94 6.35 0.00 0.00 1.11 -1.26 -1.50 116.67 117.43 1a7r s ASP 56 Ca 0.60 3.01 0.00 0.00 0.18 0.00 0.00 52.55 56.34 1a7r s ASP 56 Cb -0.14 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.20 1a7r s ASP 56 CO 0.54 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.60 1a7r n GLY 57 N 1.24 1.10 3.75 0.21 0.00 -1.26 -5.00 105.19 105.22 1a7r n GLY 57 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1a7r n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a7r s VAL 58 N -3.64 4.36 0.64 1.61 1.01 -0.56 -5.01 120.40 118.81 1a7r s VAL 58 Ca 0.00 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1a7r s VAL 58 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1a7r s VAL 58 CO 0.00 0.42 1.21 -2.16 0.00 0.00 0.00 175.10 174.57 1a7r s PRO 59 N -0.60 2.71 0.00 2.72 0.04 -1.26 -4.87 135.00 133.73 1a7r s PRO 59 Ca 0.42 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.47 1a7r s PRO 59 Cb -0.24 -1.90 1.30 0.00 0.04 0.00 0.00 34.50 33.70 1a7r s PRO 59 CO 0.29 -1.41 1.71 -1.13 0.04 0.00 0.00 177.00 176.50 1a7r n SER 60 N -1.98 0.00 0.15 6.66 3.41 -1.26 -2.70 113.62 117.90 1a7r n SER 60 Ca 0.13 -0.88 0.13 0.00 -0.26 0.00 0.00 58.87 58.00 1a7r n SER 60 Cb 0.50 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.94 1a7r n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a7r h ARG 61 N 0.00 0.00 -5.77 4.33 0.11 -1.91 -3.43 114.38 107.72 1a7r h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 1a7r h ARG 61 Cb 0.00 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.00 1a7r h ARG 61 CO 0.00 0.00 -0.21 -0.06 0.10 0.00 0.00 179.97 179.80 1a7r s PHE 62 N -3.32 3.58 -0.10 4.08 0.40 -1.10 -0.39 117.98 121.12 1a7r s PHE 62 Ca 0.05 0.85 -0.08 0.00 -0.60 0.00 0.00 56.93 57.14 1a7r s PHE 62 Cb 0.10 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 41.26 1a7r s PHE 62 CO 0.45 0.36 0.26 -1.54 0.70 0.00 0.00 175.22 175.45 1a7r s SER 63 N -0.03 -0.27 0.14 1.36 1.04 0.27 -5.00 113.70 111.21 1a7r s SER 63 Ca 0.23 0.53 0.07 0.00 0.48 0.00 0.00 55.95 57.26 1a7r s SER 63 Cb -0.15 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1a7r s SER 63 CO 0.10 -0.11 -0.07 -0.83 0.98 0.00 0.00 173.24 173.31 1a7r s GLY 64 N 0.38 1.77 0.23 7.32 0.00 -1.26 -0.32 107.32 115.45 1a7r s GLY 64 Ca -0.02 -1.31 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 1a7r s GLY 64 CO -0.02 -1.31 0.40 -1.35 0.00 0.00 0.00 173.10 170.82 1a7r s SER 65 N -2.52 -0.04 0.00 1.64 1.04 0.61 -4.31 113.70 110.13 1a7r s SER 65 Ca 0.24 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1a7r s SER 65 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1a7r s SER 65 CO 0.15 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1a7r n GLY 66 N -0.35 2.49 3.61 7.32 0.00 -1.26 0.79 105.19 117.78 1a7r n GLY 66 Ca -0.01 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1a7r n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a7r s SER 67 N 0.00 -0.08 1.70 1.61 1.04 -0.28 -4.93 113.70 112.76 1a7r s SER 67 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1a7r s SER 67 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1a7r s SER 67 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1a7r n GLY 68 N -0.25 3.45 0.65 7.32 0.00 -1.26 -1.87 105.19 113.24 1a7r n GLY 68 Ca -0.03 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1a7r n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a7r n THR 69 N 0.00 0.70 -4.17 2.61 -2.24 -1.26 -2.74 114.28 107.17 1a7r n THR 69 Ca 0.00 -0.85 -0.27 0.00 -2.27 0.00 0.00 64.05 60.66 1a7r n THR 69 Cb 0.00 0.73 -0.17 0.00 -2.10 0.00 0.00 70.33 68.79 1a7r n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a7r s GLN 70 N -1.01 1.83 0.06 -0.78 2.00 -0.78 -1.01 119.66 119.97 1a7r s GLN 70 Ca 0.22 -0.40 0.03 0.00 -2.00 0.00 0.00 55.36 53.22 1a7r s GLN 70 Cb 0.13 -1.70 -0.03 0.00 0.80 0.00 0.00 33.01 32.21 1a7r s GLN 70 CO 0.17 -0.16 -0.10 0.71 -0.50 0.00 0.00 175.29 175.41 1a7r s TYR 71 N 1.31 0.88 0.08 1.67 1.51 -0.30 -1.12 117.35 121.38 1a7r s TYR 71 Ca -0.01 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1a7r s TYR 71 Cb -0.14 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1a7r s TYR 71 CO -0.05 -0.04 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.15 1a7r s SER 72 N -1.85 1.21 -0.15 2.29 0.01 0.24 -0.87 113.70 114.57 1a7r s SER 72 Ca -0.04 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1a7r s SER 72 Cb -0.08 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1a7r s SER 72 CO 0.00 -0.30 -0.14 -0.22 0.41 0.00 0.00 173.24 173.00 1a7r s LEU 73 N -2.36 1.68 -0.14 2.44 2.96 0.14 -0.29 118.68 123.11 1a7r s LEU 73 Ca 0.03 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1a7r s LEU 73 Cb -0.03 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 1a7r s LEU 73 CO -0.01 -0.06 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.13 1a7r s LYS 74 N 1.50 3.53 -0.26 1.98 2.20 0.57 0.27 119.74 129.52 1a7r s LYS 74 Ca 0.05 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1a7r s LYS 74 Cb -0.13 -2.80 0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1a7r s LYS 74 CO -0.11 0.26 -0.07 0.42 -0.36 0.00 0.00 175.35 175.49 1a7r s ILE 75 N 0.29 2.63 0.04 5.43 1.01 0.44 -0.56 121.20 130.49 1a7r s ILE 75 Ca -0.06 -1.30 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 1a7r s ILE 75 Cb -0.15 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1a7r s ILE 75 CO 0.04 0.08 0.91 0.20 0.00 0.00 0.00 174.94 176.16 1a7r s ASN 76 N 1.24 7.35 -0.31 3.58 0.01 0.47 -0.73 114.94 126.55 1a7r s ASN 76 Ca -0.04 1.63 -0.28 0.00 -0.71 0.00 0.00 52.86 53.46 1a7r s ASN 76 Cb -0.18 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 38.98 1a7r s ASN 76 CO -0.04 -0.13 0.47 -1.54 -1.51 0.00 0.00 177.10 174.35 1a7r n SER 77 N 3.28 -4.04 -4.62 -1.22 3.41 -0.79 -4.79 113.62 104.85 1a7r n SER 77 Ca 0.02 -0.10 -0.45 0.00 -0.26 0.00 0.00 58.87 58.08 1a7r n SER 77 Cb 0.50 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 1a7r n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a7r n LEU 78 N -0.07 2.35 -4.71 1.04 4.77 0.12 -4.29 117.00 116.21 1a7r n LEU 78 Ca -0.06 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.83 1a7r n LEU 78 Cb 0.50 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.18 1a7r n LEU 78 CO 0.39 -1.00 -0.29 -1.10 -1.33 0.00 0.00 177.39 174.06 1a7r s GLN 79 N -1.06 2.55 0.36 3.23 -1.52 -1.26 0.14 119.66 122.09 1a7r s GLN 79 Ca 0.64 -1.10 0.10 0.00 -1.95 0.00 0.00 55.36 53.05 1a7r s GLN 79 Cb -0.70 -2.41 0.86 0.00 -0.22 0.00 0.00 33.01 30.53 1a7r s GLN 79 CO 0.56 0.44 1.85 -1.35 -0.25 0.00 0.00 175.29 176.54 1a7r h PRO 80 N 2.40 0.63 0.00 2.91 0.11 -1.99 0.42 132.00 136.47 1a7r h PRO 80 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1a7r h PRO 80 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1a7r h PRO 80 CO 0.60 0.42 0.00 0.38 -0.21 0.00 0.00 178.00 179.18 1a7r h ASP 81 N 0.65 0.00 0.62 -2.05 2.03 -2.02 -2.91 116.42 112.73 1a7r h ASP 81 Ca 0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1a7r h ASP 81 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1a7r h ASP 81 CO -0.23 0.00 -0.26 0.47 -1.03 0.00 0.00 179.24 178.20 1a7r n ASP 82 N -2.80 0.37 -4.83 4.15 8.00 0.14 -4.90 116.55 116.68 1a7r n ASP 82 Ca -0.02 -0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.04 1a7r n ASP 82 Cb 0.11 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1a7r n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a7r s PHE 83 N -2.87 3.33 -5.00 1.24 0.08 -1.10 -4.91 117.98 108.75 1a7r s PHE 83 Ca 0.16 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.73 1a7r s PHE 83 Cb 0.19 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1a7r s PHE 83 CO 0.59 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1a7r n GLY 84 N -0.56 0.04 3.73 4.36 0.00 -0.37 -4.86 105.19 107.54 1a7r n GLY 84 Ca 0.06 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1a7r n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a7r s SER 85 N -4.00 5.59 -0.07 1.61 0.01 -0.83 0.20 113.70 116.22 1a7r s SER 85 Ca 0.00 0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.54 1a7r s SER 85 Cb 0.00 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.53 1a7r s SER 85 CO 0.00 0.37 -0.21 -0.31 0.41 0.00 0.00 173.24 173.50 1a7r s TYR 86 N -0.82 2.54 0.00 2.43 1.51 0.11 -0.76 117.35 122.36 1a7r s TYR 86 Ca 0.13 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 1a7r s TYR 86 Cb -0.12 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1a7r s TYR 86 CO 0.03 -0.14 -0.20 0.71 -1.11 0.00 0.00 175.55 174.83 1a7r s TYR 87 N -0.19 1.78 0.18 2.71 2.02 -0.33 -1.60 117.35 121.92 1a7r s TYR 87 Ca -0.02 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.39 1a7r s TYR 87 Cb -0.13 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1a7r s TYR 87 CO 0.03 0.01 0.11 0.00 -1.57 0.00 0.00 175.55 174.13 1a7r s GLN 89 N -3.19 0.37 0.28 0.00 0.74 -0.28 -0.80 119.66 116.78 1a7r s GLN 89 Ca 0.30 0.23 0.08 0.00 0.05 0.00 0.00 55.36 56.02 1a7r s GLN 89 Cb -0.09 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.15 1a7r s GLN 89 CO 0.22 -0.06 0.17 -3.38 -0.55 0.00 0.00 175.29 171.69 1a7r s HIS 90 N -0.18 2.94 -0.16 1.67 -3.43 -1.03 -1.02 115.29 114.09 1a7r s HIS 90 Ca -0.03 -0.20 0.17 0.00 -0.80 0.00 0.00 55.06 54.21 1a7r s HIS 90 Cb -0.03 -1.46 0.44 0.00 -1.43 0.00 0.00 32.58 30.11 1a7r s HIS 90 CO 0.01 0.46 1.18 1.19 -2.00 0.00 0.00 174.74 175.58 1a7r n PHE 91 N -1.15 0.59 -3.03 0.38 3.01 -0.44 -4.24 117.46 112.58 1a7r n PHE 91 Ca -0.06 -1.35 -0.43 0.00 1.01 0.00 0.00 57.45 56.63 1a7r n PHE 91 Cb 0.59 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.77 1a7r n PHE 91 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1a7r s TRP 92 N -2.23 3.07 0.00 1.38 -0.11 -1.26 -4.92 118.94 114.86 1a7r s TRP 92 Ca 0.37 0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.92 1a7r s TRP 92 Cb 0.38 -3.43 0.00 0.00 -1.50 0.00 0.00 33.47 28.92 1a7r s TRP 92 CO -0.08 -0.83 0.00 0.45 -4.62 0.00 0.00 176.95 171.86 1a7r n SER 93 N 6.41 0.00 -3.82 5.86 2.88 -1.26 -4.79 113.62 118.90 1a7r n SER 93 Ca 0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 1a7r n SER 93 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 1a7r n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1a7r s THR 94 N 0.00 0.12 0.75 2.46 -4.23 -1.26 -4.61 115.64 108.88 1a7r s THR 94 Ca 0.00 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1a7r s THR 94 Cb 0.00 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.72 1a7r s THR 94 CO 0.00 -0.55 1.08 -2.16 -0.54 0.00 0.00 174.62 172.45 1a7r s PRO 95 N -3.36 2.46 0.40 3.99 0.04 -1.26 -5.01 135.00 132.26 1a7r s PRO 95 Ca 0.01 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 1a7r s PRO 95 Cb 0.02 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1a7r s PRO 95 CO -0.08 -1.40 0.78 1.03 0.04 0.00 0.00 177.00 177.38 1a7r s ARG 96 N -5.10 3.82 0.16 4.56 3.00 -1.26 -4.81 118.95 119.32 1a7r s ARG 96 Ca 0.60 0.54 -0.06 0.00 0.00 0.00 0.00 55.73 56.80 1a7r s ARG 96 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 34.95 32.41 1a7r s ARG 96 CO 0.55 -0.03 0.22 0.95 0.00 0.00 0.00 175.30 176.98 1a7r s THR 97 N -2.34 0.07 0.20 0.02 -4.23 -1.26 -5.03 115.64 103.07 1a7r s THR 97 Ca 0.52 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.54 1a7r s THR 97 Cb -0.10 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1a7r s THR 97 CO 0.29 -0.32 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.68 1a7r s PHE 98 N -4.00 2.77 0.82 3.99 0.08 -1.26 -2.48 117.98 117.89 1a7r s PHE 98 Ca 0.21 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 1a7r s PHE 98 Cb 0.05 -1.31 0.08 0.00 -0.57 0.00 0.00 43.02 41.27 1a7r s PHE 98 CO 0.02 0.54 1.13 0.20 -0.10 0.00 0.00 175.22 177.01 1a7r s GLY 99 N -3.14 1.60 0.35 4.36 0.00 0.02 -4.43 107.32 106.08 1a7r s GLY 99 Ca 0.28 -0.46 0.26 0.00 0.00 0.00 0.00 44.72 44.80 1a7r s GLY 99 CO 0.18 0.01 1.78 -1.33 0.00 0.00 0.00 173.10 173.74 1a7r h GLY 100 N -1.11 0.00 0.00 0.20 0.00 -1.91 -3.43 103.07 96.82 1a7r h GLY 100 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a7r h GLY 100 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1a7r n GLY 101 N -0.53 2.07 2.88 4.60 0.00 -1.26 -5.04 105.19 107.92 1a7r n GLY 101 Ca 0.00 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1a7r n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7r s THR 102 N -2.16 0.90 -0.28 2.61 2.01 -0.63 -4.57 115.64 113.52 1a7r s THR 102 Ca 0.00 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1a7r s THR 102 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 1a7r s THR 102 CO 0.00 0.35 0.42 -0.75 -0.69 0.00 0.00 174.62 173.95 1a7r s LYS 103 N 1.71 3.93 -0.37 4.92 2.20 -0.09 0.06 119.74 132.11 1a7r s LYS 103 Ca 0.04 0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 1a7r s LYS 103 Cb -0.13 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 1a7r s LYS 103 CO -0.07 -0.36 0.24 -1.17 -0.36 0.00 0.00 175.35 173.62 1a7r s LEU 104 N 2.16 4.72 0.05 5.43 0.20 0.13 -0.43 118.68 130.95 1a7r s LEU 104 Ca 0.16 -0.79 0.07 0.00 0.69 0.00 0.00 54.13 54.26 1a7r s LEU 104 Cb -0.16 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 1a7r s LEU 104 CO 0.10 -0.35 -0.19 -1.83 -0.29 0.00 0.00 176.35 173.79 1a7r s GLU 105 N 1.63 1.25 0.23 1.98 -1.05 -0.01 -1.24 118.70 121.50 1a7r s GLU 105 Ca 0.04 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1a7r s GLU 105 Cb -0.18 -1.36 -0.10 0.00 -0.44 0.00 0.00 34.13 32.05 1a7r s GLU 105 CO 0.08 0.34 1.42 -1.50 0.95 0.00 0.00 175.26 176.55 1a7r s ILE 106 N -0.86 2.78 -2.00 1.83 2.07 -1.26 0.22 121.20 123.99 1a7r s ILE 106 Ca 0.06 0.65 0.24 0.00 -1.41 0.00 0.00 60.65 60.19 1a7r s ILE 106 Cb -0.09 -3.41 0.68 0.00 0.13 0.00 0.00 42.46 39.77 1a7r s ILE 106 CO 0.02 0.10 1.80 1.17 -1.91 0.00 0.00 174.94 176.12