#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9r s VAL 3 N 0.00 -0.10 -0.11 1.61 0.11 -1.26 -1.61 120.40 119.04 3h9r s VAL 3 Ca 0.00 0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.16 3h9r s VAL 3 Cb 0.00 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3h9r s VAL 3 CO 0.00 0.07 0.14 -1.10 -3.33 0.00 0.00 175.10 170.88 3h9r s GLN 4 N 1.44 3.42 -0.29 1.54 -0.21 -0.21 -4.95 119.66 120.40 3h9r s GLN 4 Ca -0.07 -0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.14 3h9r s GLN 4 Cb -0.11 -3.17 0.05 0.00 1.00 0.00 0.00 33.01 30.78 3h9r s GLN 4 CO -0.08 0.77 -0.02 0.08 -2.12 0.00 0.00 175.29 173.92 3h9r s VAL 5 N -1.04 2.88 -0.33 1.09 1.01 -1.26 -2.09 120.40 120.66 3h9r s VAL 5 Ca 0.16 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 3h9r s VAL 5 Cb -0.12 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3h9r s VAL 5 CO 0.05 -0.03 0.15 -0.70 0.00 0.00 0.00 175.10 174.57 3h9r s GLU 6 N 1.25 3.08 -0.05 2.72 2.12 -0.69 -4.94 118.70 122.19 3h9r s GLU 6 Ca -0.05 -0.89 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 3h9r s GLU 6 Cb -0.19 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3h9r s GLU 6 CO -0.02 -0.53 1.34 0.99 -0.54 0.00 0.00 175.26 176.50 3h9r s THR 7 N 1.56 3.96 -0.18 -1.70 2.01 -1.26 0.42 115.64 120.44 3h9r s THR 7 Ca 0.03 1.28 0.10 0.00 0.31 0.00 0.00 61.69 63.41 3h9r s THR 7 Cb -0.18 -3.82 -0.23 0.00 0.01 0.00 0.00 72.50 68.28 3h9r s THR 7 CO 0.05 -0.03 0.12 -0.38 -0.69 0.00 0.00 174.62 173.69 3h9r n ILE 8 N 4.86 1.49 -3.70 1.82 5.41 0.83 -4.93 119.36 125.15 3h9r n ILE 8 Ca 0.13 -0.75 -0.13 0.00 1.00 0.00 0.00 62.75 62.99 3h9r n ILE 8 Cb 0.44 -0.94 -0.09 0.00 -0.71 0.00 0.00 39.64 38.34 3h9r n ILE 8 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h9r s SER 9 N -6.02 -0.53 0.53 4.38 1.04 -0.67 -4.96 113.70 107.47 3h9r s SER 9 Ca -0.17 1.02 -0.22 0.00 0.48 0.00 0.00 55.95 57.06 3h9r s SER 9 Cb 0.07 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.17 3h9r s SER 9 CO 0.76 -0.19 1.36 -2.84 0.98 0.00 0.00 173.24 173.31 3h9r s PRO 10 N 0.24 3.23 0.00 4.02 0.02 -1.26 -1.13 135.00 140.12 3h9r s PRO 10 Ca -0.00 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3h9r s PRO 10 Cb -0.04 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.18 3h9r s PRO 10 CO 0.01 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 3h9r n GLY 11 N 0.70 0.52 0.12 0.52 0.00 -1.26 -4.09 105.19 101.70 3h9r n GLY 11 Ca 0.10 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.50 3h9r n GLY 11 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3h9r h ASP 12 N 0.00 0.00 -1.24 1.61 3.04 -1.45 -3.46 116.42 114.92 3h9r h ASP 12 Ca 0.00 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.57 3h9r h ASP 12 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 3h9r h ASP 12 CO 0.00 0.00 -0.25 0.61 -2.04 0.00 0.00 179.24 177.56 3h9r n GLY 13 N 1.01 0.29 0.00 7.15 0.00 -1.26 -4.80 105.19 107.58 3h9r n GLY 13 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3h9r n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h9r n ARG 14 N -2.22 0.00 -3.30 1.61 0.00 -1.26 -5.05 116.66 106.44 3h9r n ARG 14 Ca -0.12 0.00 -0.46 0.00 -0.00 0.00 0.00 57.85 57.27 3h9r n ARG 14 Cb 0.53 -0.27 -0.04 0.00 -0.00 0.00 0.00 32.46 32.68 3h9r n ARG 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3h9r s THR 15 N -1.00 5.27 -0.14 8.89 2.01 -1.26 -5.03 115.64 124.38 3h9r s THR 15 Ca 0.00 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.27 3h9r s THR 15 Cb 0.00 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3h9r s THR 15 CO 0.00 -0.92 0.04 -0.36 -0.69 0.00 0.00 174.62 172.69 3h9r s PHE 16 N 1.36 3.25 0.50 4.92 0.08 -1.26 -1.20 117.98 125.62 3h9r s PHE 16 Ca 0.07 0.14 -0.24 0.00 0.12 0.00 0.00 56.93 57.03 3h9r s PHE 16 Cb -0.25 -1.95 -0.07 0.00 -0.57 0.00 0.00 43.02 40.19 3h9r s PHE 16 CO 0.01 0.33 1.41 -1.25 -0.10 0.00 0.00 175.22 175.61 3h9r s PRO 17 N -0.27 3.40 0.34 0.24 0.04 -1.26 -5.05 135.00 132.45 3h9r s PRO 17 Ca 0.07 2.36 0.04 0.00 0.04 0.00 0.00 61.00 63.51 3h9r s PRO 17 Cb -0.12 -2.46 -0.06 0.00 0.04 0.00 0.00 34.50 31.90 3h9r s PRO 17 CO 0.02 -1.02 0.07 0.15 0.04 0.00 0.00 177.00 176.26 3h9r s LYS 18 N -2.68 1.69 0.08 4.56 -0.14 -1.26 -4.88 119.74 117.11 3h9r s LYS 18 Ca 0.66 -1.96 -0.36 0.00 -1.36 0.00 0.00 55.97 52.96 3h9r s LYS 18 Cb -0.43 -0.79 -0.18 0.00 -1.68 0.00 0.00 37.83 34.75 3h9r s LYS 18 CO 0.53 -0.25 0.99 -2.13 -0.76 0.00 0.00 175.35 173.74 3h9r n ARG 19 N -0.72 0.30 -0.98 1.68 0.63 -1.26 -1.55 116.66 114.76 3h9r n ARG 19 Ca -0.03 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3h9r n ARG 19 Cb 0.66 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 32.06 3h9r n ARG 19 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h9r n GLY 20 N 1.79 0.75 3.83 5.14 0.00 -0.76 -4.99 105.19 110.94 3h9r n GLY 20 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3h9r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h9r s GLN 21 N -0.09 4.02 -0.31 1.61 -0.21 -0.59 -4.87 119.66 119.21 3h9r s GLN 21 Ca 0.00 0.53 -0.23 0.00 0.02 0.00 0.00 55.36 55.67 3h9r s GLN 21 Cb 0.00 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.83 3h9r s GLN 21 CO 0.00 0.64 0.78 0.99 -2.12 0.00 0.00 175.29 175.58 3h9r s THR 22 N -1.16 4.80 -0.16 -0.19 2.01 -0.67 -1.54 115.64 118.73 3h9r s THR 22 Ca 0.28 1.13 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 3h9r s THR 22 Cb -0.17 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3h9r s THR 22 CO 0.16 -0.26 0.70 0.00 -0.69 0.00 0.00 174.62 174.54 3h9r s VAL 24 N 1.68 4.77 0.14 0.00 1.01 -0.33 -2.03 120.40 125.64 3h9r s VAL 24 Ca 0.33 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.25 3h9r s VAL 24 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3h9r s VAL 24 CO 0.13 0.23 -0.10 0.68 0.00 0.00 0.00 175.10 176.04 3h9r s VAL 25 N 1.67 1.12 -0.09 2.92 -7.23 0.45 -0.99 120.40 118.24 3h9r s VAL 25 Ca 0.06 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3h9r s VAL 25 Cb -0.16 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3h9r s VAL 25 CO 0.07 -0.74 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.08 3h9r s HIS 26 N -3.27 3.02 0.03 2.82 3.76 -0.71 -0.91 115.29 120.04 3h9r s HIS 26 Ca 0.15 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3h9r s HIS 26 Cb 0.02 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 3h9r s HIS 26 CO 0.00 0.28 -0.05 1.52 -0.85 0.00 0.00 174.74 175.64 3h9r s TYR 27 N -0.54 0.48 -0.15 1.40 -0.85 -1.26 -0.28 117.35 116.15 3h9r s TYR 27 Ca 0.09 -0.55 -0.01 0.00 -0.52 0.00 0.00 57.07 56.07 3h9r s TYR 27 Cb -0.12 -0.31 0.04 0.00 0.38 0.00 0.00 41.96 41.96 3h9r s TYR 27 CO 0.02 -0.15 -0.02 0.99 -1.52 0.00 0.00 175.55 174.88 3h9r s THR 28 N -1.59 0.79 -0.10 -3.49 2.01 0.82 -1.43 115.64 112.64 3h9r s THR 28 Ca -0.11 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 3h9r s THR 28 Cb -0.09 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3h9r s THR 28 CO -0.01 0.08 0.23 -0.83 -0.69 0.00 0.00 174.62 173.40 3h9r s GLY 29 N 1.77 2.24 0.06 4.40 0.00 0.55 -0.04 107.32 116.30 3h9r s GLY 29 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3h9r s GLY 29 CO -0.07 -0.09 -0.05 1.06 0.00 0.00 0.00 173.10 173.95 3h9r s MET 30 N -0.70 0.65 0.93 2.90 -1.94 0.15 -1.71 119.30 119.57 3h9r s MET 30 Ca 0.17 -1.13 -0.15 0.00 -1.71 0.00 0.00 55.69 52.87 3h9r s MET 30 Cb -0.13 -0.02 0.16 0.00 2.01 0.00 0.00 34.83 36.86 3h9r s MET 30 CO 0.06 -0.05 1.24 -0.51 -0.01 0.00 0.00 175.02 175.75 3h9r s LEU 31 N -2.62 2.40 0.26 -0.03 1.43 0.00 -1.79 118.68 118.33 3h9r s LEU 31 Ca 0.04 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 3h9r s LEU 31 Cb 0.03 -2.71 0.43 0.00 0.03 0.00 0.00 46.19 43.96 3h9r s LEU 31 CO -0.06 -2.59 1.85 -0.08 0.23 0.00 0.00 176.35 175.70 3h9r h GLU 32 N -1.53 0.97 0.00 1.70 4.81 -1.83 -0.63 114.58 118.07 3h9r h GLU 32 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3h9r h GLU 32 Cb 1.28 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3h9r h GLU 32 CO 0.49 0.64 0.00 -0.40 -0.73 0.00 0.00 179.01 179.01 3h9r n ASP 33 N -4.61 0.00 0.00 1.04 5.68 -1.26 -4.93 116.55 112.47 3h9r n ASP 33 Ca 0.15 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 3h9r n ASP 33 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3h9r n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h9r n GLY 34 N 0.76 0.08 3.64 6.12 0.00 -0.24 -5.05 105.19 110.50 3h9r n GLY 34 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3h9r n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h9r s LYS 35 N -1.00 3.86 0.02 1.61 2.20 -1.26 -4.62 119.74 120.56 3h9r s LYS 35 Ca 0.00 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 3h9r s LYS 35 Cb 0.00 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 32.10 3h9r s LYS 35 CO 0.00 -1.25 1.47 0.21 -0.36 0.00 0.00 175.35 175.42 3h9r s LYS 36 N 4.84 4.26 -0.00 4.03 2.20 -1.26 -0.82 119.74 132.99 3h9r s LYS 36 Ca 0.85 2.07 0.12 0.00 -0.36 0.00 0.00 55.97 58.65 3h9r s LYS 36 Cb -0.35 -3.56 -0.14 0.00 -1.51 0.00 0.00 37.83 32.26 3h9r s LYS 36 CO 0.36 -0.61 0.47 1.97 -0.36 0.00 0.00 175.35 177.18 3h9r n PHE 37 N 5.37 0.00 -3.62 4.03 1.16 -0.69 -4.96 117.46 118.74 3h9r n PHE 37 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.63 3h9r n PHE 37 Cb 0.43 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 3h9r n PHE 37 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3h9r s ASP 38 N -2.36 -0.36 -0.19 5.98 2.15 -1.20 -5.03 116.67 115.67 3h9r s ASP 38 Ca 0.03 0.59 -0.11 0.00 0.43 0.00 0.00 52.55 53.49 3h9r s ASP 38 Cb 0.09 0.56 0.06 0.00 -0.30 0.00 0.00 42.92 43.34 3h9r s ASP 38 CO 0.50 -0.19 0.47 -0.55 -0.17 0.00 0.00 175.17 175.23 3h9r s SER 39 N -0.27 -0.61 0.00 -0.34 0.15 -1.26 -0.33 113.70 111.04 3h9r s SER 39 Ca 0.02 1.02 0.22 0.00 0.70 0.00 0.00 55.95 57.92 3h9r s SER 39 Cb -0.03 0.90 1.04 0.00 -1.71 0.00 0.00 66.02 66.21 3h9r s SER 39 CO -0.05 -0.20 1.72 -1.54 1.20 0.00 0.00 173.24 174.36 3h9r n SER 40 N 4.25 0.00 0.08 5.45 3.41 -0.52 -2.58 113.62 123.71 3h9r n SER 40 Ca -0.22 0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3h9r n SER 40 Cb 0.56 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 3h9r n SER 40 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h9r h ARG 41 N 0.00 0.15 0.00 4.33 3.08 -1.88 -1.86 114.38 118.19 3h9r h ARG 41 Ca 0.00 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3h9r h ARG 41 Cb 0.29 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3h9r h ARG 41 CO 0.00 1.10 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.55 3h9r h ASP 42 N 0.04 0.00 0.00 7.04 3.32 -1.85 -2.73 116.42 122.25 3h9r h ASP 42 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3h9r h ASP 42 Cb 1.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.44 3h9r h ASP 42 CO 0.17 0.01 0.00 -2.11 -1.72 0.00 0.00 179.24 175.58 3h9r n ARG 43 N -3.20 -0.66 -3.89 3.56 1.85 -1.23 -5.02 116.66 108.07 3h9r n ARG 43 Ca -0.02 -0.45 -0.25 0.00 -1.00 0.00 0.00 57.85 56.13 3h9r n ARG 43 Cb 0.12 -0.95 -0.01 0.00 -1.05 0.00 0.00 32.46 30.57 3h9r n ARG 43 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3h9r n ASN 44 N -0.04 -0.64 -3.68 2.89 5.15 -0.74 -4.98 115.26 113.22 3h9r n ASN 44 Ca 0.00 -0.96 -0.28 0.00 -0.60 0.00 0.00 54.58 52.74 3h9r n ASN 44 Cb 0.01 -3.32 -0.16 0.00 -0.53 0.00 0.00 39.78 35.78 3h9r n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3h9r s LYS 45 N -6.41 0.51 0.39 1.20 2.20 -0.97 -5.06 119.74 111.60 3h9r s LYS 45 Ca 0.03 -0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 3h9r s LYS 45 Cb -0.01 -1.88 -0.11 0.00 -1.51 0.00 0.00 37.83 34.31 3h9r s LYS 45 CO 0.87 -0.79 1.07 -2.30 -0.36 0.00 0.00 175.35 173.84 3h9r n PRO 46 N 5.07 1.49 -3.76 4.03 -0.02 -1.26 -4.80 135.00 135.75 3h9r n PRO 46 Ca -0.07 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.58 3h9r n PRO 46 Cb 0.45 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 3h9r n PRO 46 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h9r s PHE 47 N -1.22 3.58 -0.01 6.00 5.36 -0.09 -4.90 117.98 126.71 3h9r s PHE 47 Ca 0.61 0.59 0.06 0.00 -0.96 0.00 0.00 56.93 57.23 3h9r s PHE 47 Cb -0.57 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 3h9r s PHE 47 CO 0.58 0.61 -0.19 0.15 -1.46 0.00 0.00 175.22 174.92 3h9r s LYS 48 N -0.70 1.51 -0.02 10.12 1.02 -1.26 -0.42 119.74 130.00 3h9r s LYS 48 Ca 0.16 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 3h9r s LYS 48 Cb -0.13 -1.46 0.03 0.00 -0.52 0.00 0.00 37.83 35.75 3h9r s LYS 48 CO 0.05 0.40 0.40 -0.59 -0.92 0.00 0.00 175.35 174.68 3h9r s PHE 49 N -0.44 -0.29 -0.18 3.18 -0.12 -0.86 -4.97 117.98 114.29 3h9r s PHE 49 Ca 0.07 0.44 -0.09 0.00 -0.05 0.00 0.00 56.93 57.30 3h9r s PHE 49 Cb -0.07 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 3h9r s PHE 49 CO -0.01 -0.45 0.13 1.41 -0.05 0.00 0.00 175.22 176.25 3h9r s MET 50 N -1.42 4.04 0.10 1.99 -2.45 -1.26 -0.63 119.30 119.68 3h9r s MET 50 Ca -0.12 -0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 3h9r s MET 50 Cb -0.04 -3.37 -0.06 0.00 1.25 0.00 0.00 34.83 32.61 3h9r s MET 50 CO 0.05 0.39 1.12 -1.17 1.05 0.00 0.00 175.02 176.46 3h9r s LEU 51 N 0.10 4.42 0.00 4.11 2.96 -0.59 -3.46 118.68 126.22 3h9r s LEU 51 Ca 0.09 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 3h9r s LEU 51 Cb -0.11 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.99 3h9r s LEU 51 CO -0.01 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3h9r n GLY 52 N 2.66 0.81 0.18 7.98 0.00 -1.26 -1.83 105.19 113.72 3h9r n GLY 52 Ca 0.06 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3h9r n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h9r n LYS 53 N -2.35 2.38 -2.60 1.61 5.02 -1.22 -4.97 118.16 116.02 3h9r n LYS 53 Ca 0.00 -0.50 -0.13 0.00 -2.02 0.00 0.00 58.31 55.66 3h9r n LYS 53 Cb 0.00 -1.02 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3h9r n LYS 53 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3h9r n GLN 54 N -0.37 -2.49 0.19 1.97 6.02 -1.26 -4.91 117.38 116.53 3h9r n GLN 54 Ca 0.03 0.56 0.13 0.00 -0.01 0.00 0.00 57.00 57.71 3h9r n GLN 54 Cb 0.17 -4.69 0.28 0.00 1.02 0.00 0.00 30.24 27.02 3h9r n GLN 54 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3h9r h GLU 55 N -0.64 0.00 -5.41 -1.09 5.08 -1.95 -3.45 114.58 107.12 3h9r h GLU 55 Ca -0.31 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.58 3h9r h GLU 55 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 3h9r h GLU 55 CO 0.34 0.00 -0.67 0.14 -1.00 0.00 0.00 179.01 177.83 3h9r s VAL 56 N -3.21 1.51 0.59 3.13 -7.23 -1.26 -5.09 120.40 108.83 3h9r s VAL 56 Ca 0.08 -2.10 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 3h9r s VAL 56 Cb 0.07 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 3h9r s VAL 56 CO 0.63 -0.30 0.91 2.30 -0.31 0.00 0.00 175.10 178.34 3h9r n ILE 57 N -0.55 3.45 -0.20 -0.62 -5.35 -1.26 -4.78 119.36 110.04 3h9r n ILE 57 Ca -0.05 -0.50 0.03 0.00 -0.27 0.00 0.00 62.75 61.95 3h9r n ILE 57 Cb 0.64 -1.09 0.28 0.00 -1.74 0.00 0.00 39.64 37.73 3h9r n ILE 57 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3h9r h ARG 58 N 0.52 0.89 -0.66 6.28 2.43 -1.83 -1.82 114.38 120.21 3h9r h ARG 58 Ca -0.48 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3h9r h ARG 58 Cb 1.37 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3h9r h ARG 58 CO 0.51 0.59 0.23 0.78 -1.51 0.00 0.00 179.97 180.57 3h9r h GLY 59 N 0.92 1.05 0.83 2.80 0.00 -1.38 -1.76 103.07 105.54 3h9r h GLY 59 Ca 0.29 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3h9r h GLY 59 CO -0.08 0.54 0.01 1.49 0.00 0.00 0.00 176.54 178.50 3h9r h TRP 60 N 0.96 0.41 -0.64 5.60 4.06 -1.59 0.09 115.95 124.83 3h9r h TRP 60 Ca 0.22 -0.07 0.04 0.00 2.06 0.00 0.00 58.89 61.14 3h9r h TRP 60 Cb 0.23 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 3h9r h TRP 60 CO 0.02 0.54 0.38 1.49 -3.56 0.00 0.00 178.44 177.32 3h9r h GLU 61 N 0.15 0.72 -0.07 0.49 4.57 -1.18 0.29 114.58 119.55 3h9r h GLU 61 Ca 0.06 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.06 3h9r h GLU 61 Cb 0.37 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3h9r h GLU 61 CO 0.01 0.48 -0.51 0.93 -1.18 0.00 0.00 179.01 178.74 3h9r h GLU 62 N 0.74 0.47 -0.26 1.92 5.08 -1.26 -2.86 114.58 118.41 3h9r h GLU 62 Ca 0.27 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3h9r h GLU 62 Cb 0.07 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3h9r h GLU 62 CO -0.12 1.05 0.15 0.78 -1.00 0.00 0.00 179.01 179.86 3h9r h GLY 63 N 0.03 0.39 1.60 -3.84 0.00 -0.85 -2.34 103.07 98.06 3h9r h GLY 63 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 46.98 3h9r h GLY 63 CO 0.10 0.16 -0.49 -2.08 0.00 0.00 0.00 176.54 174.24 3h9r h VAL 64 N 0.32 1.33 -0.18 4.60 2.07 -1.06 -2.62 116.25 120.70 3h9r h VAL 64 Ca 0.09 -1.71 0.05 0.00 0.82 0.00 0.00 66.70 65.96 3h9r h VAL 64 Cb 0.05 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3h9r h VAL 64 CO -0.02 0.52 0.18 0.00 0.02 0.00 0.00 177.57 178.28 3h9r h ALA 65 N 1.13 1.87 -0.26 1.67 0.00 -1.25 -0.44 119.26 121.99 3h9r h ALA 65 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h9r h ALA 65 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h9r h ALA 65 CO 0.09 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.10 3h9r n GLN 66 N -3.95 1.74 -4.25 0.00 6.02 -0.90 -4.57 117.38 111.47 3h9r n GLN 66 Ca 0.02 -1.13 -0.28 0.00 -0.01 0.00 0.00 57.00 55.59 3h9r n GLN 66 Cb 0.31 -1.32 -0.09 0.00 1.02 0.00 0.00 30.24 30.16 3h9r n GLN 66 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3h9r s MET 67 N -1.66 2.11 0.17 -1.09 -1.94 -0.18 -5.09 119.30 111.63 3h9r s MET 67 Ca 0.27 -1.13 0.08 0.00 -1.71 0.00 0.00 55.69 53.20 3h9r s MET 67 Cb 0.14 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 3h9r s MET 67 CO 0.20 0.47 -0.07 -1.54 -0.01 0.00 0.00 175.02 174.07 3h9r s SER 68 N -2.52 4.41 0.22 3.03 1.04 -1.26 -4.12 113.70 114.49 3h9r s SER 68 Ca 0.23 -0.51 -0.32 0.00 0.48 0.00 0.00 55.95 55.83 3h9r s SER 68 Cb -0.10 -0.82 -0.13 0.00 0.10 0.00 0.00 66.02 65.07 3h9r s SER 68 CO 0.15 0.11 1.49 0.52 0.98 0.00 0.00 173.24 176.48 3h9r n VAL 69 N 0.05 0.59 0.00 5.02 0.31 -0.34 -1.73 118.33 122.23 3h9r n VAL 69 Ca -0.11 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3h9r n VAL 69 Cb 0.55 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3h9r n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h9r n GLY 70 N 2.65 3.25 3.75 2.92 0.00 0.12 -1.40 105.19 116.47 3h9r n GLY 70 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3h9r n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h9r s GLN 71 N -0.87 4.57 -0.11 1.61 0.74 -0.71 -4.45 119.66 120.44 3h9r s GLN 71 Ca 0.00 1.87 -0.01 0.00 0.05 0.00 0.00 55.36 57.27 3h9r s GLN 71 Cb 0.00 -3.19 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 3h9r s GLN 71 CO 0.00 0.09 -0.08 0.50 -0.55 0.00 0.00 175.29 175.24 3h9r s ARG 72 N -1.17 3.18 0.06 1.67 3.52 -0.28 -1.51 118.95 124.41 3h9r s ARG 72 Ca 0.47 -0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 55.34 3h9r s ARG 72 Cb -0.33 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3h9r s ARG 72 CO 0.41 0.41 0.30 0.00 -0.81 0.00 0.00 175.30 175.61 3h9r s ALA 73 N -0.13 -0.66 -0.26 6.12 0.00 -0.46 -0.12 121.76 126.24 3h9r s ALA 73 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3h9r s ALA 73 Cb -0.13 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3h9r s ALA 73 CO 0.03 -0.45 0.03 0.21 0.00 0.00 0.00 175.76 175.58 3h9r s LYS 74 N -2.86 3.23 -0.35 0.00 2.20 0.17 -1.29 119.74 120.84 3h9r s LYS 74 Ca -0.03 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.69 3h9r s LYS 74 Cb 0.00 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3h9r s LYS 74 CO -0.05 -0.34 0.29 -0.51 -0.36 0.00 0.00 175.35 174.38 3h9r s LEU 75 N 1.50 4.57 -0.37 5.43 1.02 0.78 -1.71 118.68 129.89 3h9r s LEU 75 Ca 0.04 -0.42 -0.16 0.00 0.02 0.00 0.00 54.13 53.61 3h9r s LEU 75 Cb -0.16 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 43.84 3h9r s LEU 75 CO 0.01 -0.30 0.37 -0.89 0.02 0.00 0.00 176.35 175.56 3h9r s THR 76 N 1.82 5.16 -0.15 5.49 2.01 -0.89 0.16 115.64 129.24 3h9r s THR 76 Ca 0.08 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3h9r s THR 76 Cb -0.17 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3h9r s THR 76 CO 0.11 -0.21 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.99 3h9r s ILE 77 N 2.01 2.19 0.55 1.82 1.01 0.64 -1.05 121.20 128.37 3h9r s ILE 77 Ca 0.11 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 3h9r s ILE 77 Cb -0.17 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 3h9r s ILE 77 CO 0.12 0.54 1.00 -0.94 0.00 0.00 0.00 174.94 175.66 3h9r s SER 78 N 0.95 6.48 0.41 3.58 1.04 -0.63 -1.27 113.70 124.26 3h9r s SER 78 Ca -0.03 1.51 0.15 0.00 0.48 0.00 0.00 55.95 58.06 3h9r s SER 78 Cb -0.15 -2.49 1.01 0.00 0.10 0.00 0.00 66.02 64.49 3h9r s SER 78 CO -0.05 -0.69 1.87 -0.65 0.98 0.00 0.00 173.24 174.71 3h9r h PRO 79 N 0.48 0.46 0.00 4.02 0.11 -1.90 0.44 132.00 135.61 3h9r h PRO 79 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3h9r h PRO 79 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h9r h PRO 79 CO 0.62 0.30 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.22 3h9r h ASP 80 N 0.47 0.00 -0.48 -2.05 3.32 -1.91 -0.50 116.42 115.27 3h9r h ASP 80 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3h9r h ASP 80 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3h9r h ASP 80 CO -0.17 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.18 3h9r n TYR 81 N -3.75 0.64 0.00 4.55 4.02 0.09 -4.87 117.16 117.84 3h9r n TYR 81 Ca -0.02 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 3h9r n TYR 81 Cb 0.15 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3h9r n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3h9r n ALA 82 N 1.17 0.00 -0.57 -0.72 0.00 -0.32 -0.93 120.51 119.14 3h9r n ALA 82 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.71 3h9r n ALA 82 Cb 0.53 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.28 3h9r n ALA 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h9r n TYR 83 N 0.00 1.16 -4.85 0.00 4.01 -1.22 -4.79 117.16 111.47 3h9r n TYR 83 Ca 0.00 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3h9r n TYR 83 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3h9r n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h9r n GLY 84 N 0.79 0.90 0.38 2.72 0.00 -0.50 -0.57 105.19 108.91 3h9r n GLY 84 Ca 0.22 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 3h9r n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h9r h ALA 85 N -0.85 1.30 0.18 4.61 0.00 -1.95 -1.63 119.26 120.93 3h9r h ALA 85 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3h9r h ALA 85 Cb 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 17.79 17.42 3h9r h ALA 85 CO 0.00 0.64 -1.35 1.15 0.00 0.00 0.00 179.25 179.70 3h9r h THR 86 N 1.33 1.32 -0.18 0.00 2.02 -1.90 -3.33 112.91 112.16 3h9r h THR 86 Ca 0.36 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.88 3h9r h THR 86 Cb -0.14 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3h9r h THR 86 CO -0.08 0.80 0.00 0.61 0.37 0.00 0.00 175.52 177.22 3h9r n GLY 87 N 1.54 -0.61 2.85 2.16 0.00 0.27 -4.21 105.19 107.19 3h9r n GLY 87 Ca -0.14 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3h9r n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h9r s HIS 88 N 0.00 2.03 0.19 1.61 2.46 0.39 -4.87 115.29 117.10 3h9r s HIS 88 Ca 0.00 -1.65 -0.33 0.00 0.47 0.00 0.00 55.06 53.55 3h9r s HIS 88 Cb 0.00 -1.60 -0.15 0.00 -0.13 0.00 0.00 32.58 30.70 3h9r s HIS 88 CO 0.00 -0.78 1.29 -2.30 -2.47 0.00 0.00 174.74 170.49 3h9r n PRO 89 N 4.77 1.52 -0.89 2.88 -0.02 -1.26 0.01 135.00 142.02 3h9r n PRO 89 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3h9r n PRO 89 Cb 0.44 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3h9r n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h9r n GLY 90 N 2.21 0.57 1.90 -1.23 0.00 -1.26 -4.72 105.19 102.66 3h9r n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3h9r n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h9r n ILE 91 N -2.20 0.10 -3.74 -0.61 2.08 0.45 -5.06 119.36 110.37 3h9r n ILE 91 Ca 0.00 0.03 -0.37 0.00 0.56 0.00 0.00 62.75 62.98 3h9r n ILE 91 Cb 0.05 -0.61 -0.12 0.00 -0.75 0.00 0.00 39.64 38.21 3h9r n ILE 91 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3h9r s ILE 92 N -2.00 4.50 0.94 1.39 -1.09 0.10 -4.95 121.20 120.10 3h9r s ILE 92 Ca 0.00 -0.11 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 3h9r s ILE 92 Cb 0.00 -3.11 0.15 0.00 -1.58 0.00 0.00 42.46 37.92 3h9r s ILE 92 CO 0.00 0.33 1.09 -2.84 -1.23 0.00 0.00 174.94 172.29 3h9r s PRO 93 N 1.59 0.90 0.32 2.79 0.02 -1.26 -0.46 135.00 138.90 3h9r s PRO 93 Ca 0.06 0.75 -0.29 0.00 0.02 0.00 0.00 61.00 61.54 3h9r s PRO 93 Cb -0.15 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 3h9r s PRO 93 CO 0.05 -2.47 1.43 -2.30 -0.33 0.00 0.00 177.00 173.39 3h9r n PRO 94 N -4.03 2.38 -3.36 5.54 -0.02 -1.26 -3.42 135.00 130.84 3h9r n PRO 94 Ca 0.06 0.84 -0.17 0.00 -2.02 0.00 0.00 63.50 62.21 3h9r n PRO 94 Cb 0.56 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.59 3h9r n PRO 94 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3h9r n HIS 95 N 1.10 -2.17 -3.47 6.00 8.25 -0.61 -4.97 115.22 119.35 3h9r n HIS 95 Ca 0.06 0.88 -0.37 0.00 -0.26 0.00 0.00 57.72 58.02 3h9r n HIS 95 Cb 0.36 -4.78 -0.08 0.00 1.12 0.00 0.00 29.99 26.61 3h9r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h9r s ALA 96 N -3.32 3.57 0.14 -1.41 0.00 -1.22 -4.90 121.76 114.62 3h9r s ALA 96 Ca 0.14 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3h9r s ALA 96 Cb -0.06 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 3h9r s ALA 96 CO 0.66 -0.16 0.93 0.99 0.00 0.00 0.00 175.76 178.18 3h9r s THR 97 N 1.01 4.41 0.04 0.00 2.01 -1.26 -3.42 115.64 118.43 3h9r s THR 97 Ca 0.17 2.02 0.09 0.00 0.31 0.00 0.00 61.69 64.28 3h9r s THR 97 Cb -0.14 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3h9r s THR 97 CO 0.06 0.37 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.35 3h9r s LEU 98 N -0.34 2.16 -0.15 4.42 1.43 -0.40 -2.43 118.68 123.37 3h9r s LEU 98 Ca 0.44 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3h9r s LEU 98 Cb -0.24 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.76 3h9r s LEU 98 CO 0.30 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 176.22 3h9r s VAL 99 N -0.78 2.06 -0.11 -1.59 1.01 -0.74 -0.26 120.40 119.98 3h9r s VAL 99 Ca 0.11 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3h9r s VAL 99 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3h9r s VAL 99 CO 0.02 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.07 3h9r s PHE 100 N 0.98 2.59 -0.34 5.22 0.08 0.12 -0.68 117.98 125.96 3h9r s PHE 100 Ca -0.03 -1.08 -0.16 0.00 0.12 0.00 0.00 56.93 55.77 3h9r s PHE 100 Cb -0.15 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3h9r s PHE 100 CO -0.06 -0.45 0.43 0.34 -0.10 0.00 0.00 175.22 175.38 3h9r s ASP 101 N 0.43 6.24 -0.09 1.36 -1.08 0.95 -0.15 116.67 124.33 3h9r s ASP 101 Ca -0.16 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 3h9r s ASP 101 Cb -0.17 -2.23 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 3h9r s ASP 101 CO 0.07 -0.39 -0.13 -0.69 0.52 0.00 0.00 175.17 174.54 3h9r s VAL 102 N 2.18 1.29 -0.21 1.11 1.01 -0.41 -0.13 120.40 125.23 3h9r s VAL 102 Ca 0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3h9r s VAL 102 Cb -0.16 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3h9r s VAL 102 CO 0.12 0.40 -0.03 -0.70 0.00 0.00 0.00 175.10 174.89 3h9r s GLU 103 N 0.97 3.44 -0.78 2.72 2.12 0.61 -1.36 118.70 126.43 3h9r s GLU 103 Ca -0.08 -0.60 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 3h9r s GLU 103 Cb -0.15 -3.02 0.03 0.00 0.26 0.00 0.00 34.13 31.26 3h9r s GLU 103 CO -0.00 -0.13 1.30 -1.17 -0.54 0.00 0.00 175.26 174.72 3h9r s LEU 104 N 1.31 3.22 0.08 2.70 2.96 -0.57 -1.73 118.68 126.65 3h9r s LEU 104 Ca 0.04 -0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 3h9r s LEU 104 Cb -0.14 -2.56 -0.15 0.00 0.50 0.00 0.00 46.19 43.83 3h9r s LEU 104 CO -0.01 -1.79 1.30 -0.07 -1.32 0.00 0.00 176.35 174.45 3h9r h LEU 105 N 12.98 0.81 -7.00 -0.68 3.38 -1.39 0.33 115.31 123.74 3h9r h LEU 105 Ca -0.21 -0.61 0.18 0.00 0.09 0.00 0.00 57.88 57.33 3h9r h LEU 105 Cb 1.04 -0.24 -0.24 0.00 0.09 0.00 0.00 40.66 41.32 3h9r h LEU 105 CO 1.30 1.28 0.77 -0.75 0.09 0.00 0.00 178.44 181.13 3h9r s LYS 106 N -3.81 0.32 0.21 1.13 2.20 -1.17 -4.34 119.74 114.27 3h9r s LYS 106 Ca -0.11 0.03 0.08 0.00 -0.36 0.00 0.00 55.97 55.61 3h9r s LYS 106 Cb 0.08 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 3h9r s LYS 106 CO 0.87 -0.11 -0.02 -0.51 -0.36 0.00 0.00 175.35 175.22 3h9r s LEU 107 N -1.30 3.21 0.00 5.43 1.43 -1.26 -1.19 118.68 124.99 3h9r s LEU 107 Ca 0.05 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3h9r s LEU 107 Cb -0.01 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3h9r s LEU 107 CO -0.04 0.06 0.00 -0.62 0.23 0.00 0.00 176.35 175.98