#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7x s VAL 2 N 0.00 0.81 -0.16 1.61 1.01 -1.26 -1.89 120.40 120.53 1a7x s VAL 2 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1a7x s VAL 2 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1a7x s VAL 2 CO 0.00 0.27 -0.04 -1.58 0.00 0.00 0.00 175.10 173.75 1a7x s GLN 3 N 0.46 3.65 -0.27 2.72 2.00 -0.21 -4.95 119.66 123.07 1a7x s GLN 3 Ca -0.08 -0.53 -0.05 0.00 -2.00 0.00 0.00 55.36 52.71 1a7x s GLN 3 Cb -0.12 -2.92 0.01 0.00 0.80 0.00 0.00 33.01 30.78 1a7x s GLN 3 CO 0.01 0.21 0.01 0.08 -0.50 0.00 0.00 175.29 175.10 1a7x s VAL 4 N 0.44 3.51 -0.18 1.34 1.01 -1.26 -1.53 120.40 123.73 1a7x s VAL 4 Ca -0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1a7x s VAL 4 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1a7x s VAL 4 CO 0.03 0.19 -0.16 -1.61 0.00 0.00 0.00 175.10 173.54 1a7x s GLU 5 N 1.44 3.11 0.13 2.72 2.02 -0.09 -4.96 118.70 123.07 1a7x s GLU 5 Ca 0.02 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 53.93 1a7x s GLU 5 Cb -0.16 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.31 1a7x s GLU 5 CO -0.01 -0.17 1.53 0.99 0.02 0.00 0.00 175.26 177.63 1a7x s THR 6 N 1.25 2.88 -0.23 3.63 2.01 -1.26 -1.02 115.64 122.90 1a7x s THR 6 Ca 0.03 0.59 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 1a7x s THR 6 Cb -0.14 -3.38 -0.17 0.00 0.01 0.00 0.00 72.50 68.83 1a7x s THR 6 CO -0.08 0.04 0.00 -0.38 -0.69 0.00 0.00 174.62 173.51 1a7x n ILE 7 N 4.10 1.54 -3.80 1.82 5.41 0.62 -4.90 119.36 124.15 1a7x n ILE 7 Ca 0.14 -0.19 -0.13 0.00 1.00 0.00 0.00 62.75 63.57 1a7x n ILE 7 Cb 0.40 -1.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.25 1a7x n ILE 7 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1a7x s SER 8 N -7.09 -0.22 0.56 4.38 1.04 -0.83 -4.98 113.70 106.57 1a7x s SER 8 Ca -0.32 0.39 -0.18 0.00 0.48 0.00 0.00 55.95 56.32 1a7x s SER 8 Cb 0.09 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1a7x s SER 8 CO 0.56 -0.12 1.08 -2.16 0.98 0.00 0.00 173.24 173.58 1a7x s PRO 9 N -0.06 3.37 0.00 4.02 0.04 -1.26 -1.07 135.00 140.04 1a7x s PRO 9 Ca -0.02 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1a7x s PRO 9 Cb -0.02 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1a7x s PRO 9 CO 0.01 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1a7x n GLY 10 N -0.47 0.75 0.00 0.56 0.00 -1.26 -4.16 105.19 100.61 1a7x n GLY 10 Ca 0.10 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1a7x n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a7x n ASP 11 N -0.16 0.00 0.00 1.61 5.75 -0.37 -4.83 116.55 118.55 1a7x n ASP 11 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1a7x n ASP 11 Cb 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1a7x n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a7x n GLY 12 N 1.10 0.55 0.00 6.12 0.00 -1.26 -4.75 105.19 106.95 1a7x n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1a7x n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a7x n ARG 13 N -2.06 4.61 -3.14 1.61 1.85 -1.26 -5.00 116.66 113.26 1a7x n ARG 13 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 1a7x n ARG 13 Cb 0.06 -0.40 -0.04 0.00 -1.05 0.00 0.00 32.46 31.04 1a7x n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1a7x s THR 14 N -0.04 5.00 -0.02 8.89 2.01 -1.26 -5.04 115.64 125.17 1a7x s THR 14 Ca 0.00 -1.43 -0.02 0.00 0.31 0.00 0.00 61.69 60.55 1a7x s THR 14 Cb 0.00 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1a7x s THR 14 CO 0.00 -1.15 0.13 -0.36 -0.69 0.00 0.00 174.62 172.54 1a7x s PHE 15 N 2.09 3.43 0.38 4.92 0.40 -1.26 -1.27 117.98 126.66 1a7x s PHE 15 Ca 0.16 0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.51 1a7x s PHE 15 Cb -0.19 -1.80 -0.11 0.00 0.51 0.00 0.00 43.02 41.44 1a7x s PHE 15 CO 0.00 0.61 1.48 -2.14 0.70 0.00 0.00 175.22 175.87 1a7x s PRO 16 N -1.72 4.10 0.25 0.24 0.02 -1.26 -5.03 135.00 131.59 1a7x s PRO 16 Ca 0.24 2.56 0.12 0.00 0.02 0.00 0.00 61.00 63.94 1a7x s PRO 16 Cb -0.12 -2.96 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 1a7x s PRO 16 CO 0.15 -0.53 -0.21 0.15 -0.33 0.00 0.00 177.00 176.22 1a7x s LYS 17 N -2.10 1.62 0.25 5.54 3.01 -1.26 -4.86 119.74 121.95 1a7x s LYS 17 Ca 0.53 -1.67 -0.31 0.00 -1.01 0.00 0.00 55.97 53.51 1a7x s LYS 17 Cb -0.46 -1.80 -0.12 0.00 -1.01 0.00 0.00 37.83 34.43 1a7x s LYS 17 CO 0.63 0.36 1.58 0.54 0.51 0.00 0.00 175.35 178.97 1a7x n ARG 18 N -0.27 2.54 -0.10 1.68 1.74 -1.26 -1.32 116.66 119.66 1a7x n ARG 18 Ca -0.08 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1a7x n ARG 18 Cb 0.58 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1a7x n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a7x n GLY 19 N 2.63 0.85 3.91 -0.13 0.00 0.12 -4.99 105.19 107.58 1a7x n GLY 19 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1a7x n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a7x s GLN 20 N -0.69 3.61 -0.24 1.61 -0.21 -0.44 -4.82 119.66 118.49 1a7x s GLN 20 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 55.36 55.16 1a7x s GLN 20 Cb 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1a7x s GLN 20 CO 0.00 0.30 0.37 0.99 -2.12 0.00 0.00 175.29 174.83 1a7x s THR 21 N -1.96 5.20 -0.08 -0.19 2.01 -1.26 -1.06 115.64 118.30 1a7x s THR 21 Ca 0.42 0.61 -0.18 0.00 0.31 0.00 0.00 61.69 62.85 1a7x s THR 21 Cb -0.11 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1a7x s THR 21 CO 0.28 0.21 0.49 0.00 -0.69 0.00 0.00 174.62 174.92 1a7x s VAL 23 N 0.22 3.39 0.13 0.00 1.01 -0.19 -2.15 120.40 122.80 1a7x s VAL 23 Ca 0.27 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1a7x s VAL 23 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1a7x s VAL 23 CO 0.12 0.32 -0.11 0.68 0.00 0.00 0.00 175.10 176.11 1a7x s VAL 24 N 1.45 1.13 -0.06 2.92 -7.23 -0.37 -0.86 120.40 117.38 1a7x s VAL 24 Ca 0.04 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1a7x s VAL 24 Cb -0.15 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1a7x s VAL 24 CO -0.02 -0.61 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.04 1a7x s HIS 25 N -2.78 2.80 0.18 2.82 3.76 -0.90 -1.37 115.29 119.80 1a7x s HIS 25 Ca 0.11 -0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 1a7x s HIS 25 Cb -0.01 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1a7x s HIS 25 CO 0.01 0.25 0.39 1.52 -0.85 0.00 0.00 174.74 176.05 1a7x s TYR 26 N -0.76 0.21 -0.02 1.40 1.13 -1.26 -1.16 117.35 116.89 1a7x s TYR 26 Ca 0.12 -0.57 0.04 0.00 -1.41 0.00 0.00 57.07 55.25 1a7x s TYR 26 Cb -0.11 0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.87 1a7x s TYR 26 CO 0.01 -0.82 -0.14 0.99 -2.51 0.00 0.00 175.55 173.09 1a7x s THR 27 N -3.94 1.10 -0.11 -3.49 2.01 -0.74 -1.84 115.64 108.63 1a7x s THR 27 Ca 0.15 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1a7x s THR 27 Cb 0.01 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1a7x s THR 27 CO -0.00 0.32 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.35 1a7x s GLY 28 N -0.11 1.67 0.07 4.40 0.00 0.59 -1.67 107.32 112.28 1a7x s GLY 28 Ca 0.01 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.92 1a7x s GLY 28 CO 0.00 -0.37 -0.17 1.06 0.00 0.00 0.00 173.10 173.63 1a7x s MET 29 N -0.18 1.00 0.60 2.90 -1.94 0.68 -1.45 119.30 120.91 1a7x s MET 29 Ca 0.02 -0.95 -0.14 0.00 -1.71 0.00 0.00 55.69 52.91 1a7x s MET 29 Cb -0.13 -1.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.58 1a7x s MET 29 CO 0.03 0.26 1.03 -0.51 -0.01 0.00 0.00 175.02 175.82 1a7x s LEU 30 N -1.55 3.38 0.14 -0.03 1.43 0.38 -0.55 118.68 121.89 1a7x s LEU 30 Ca 0.02 1.60 0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1a7x s LEU 30 Cb -0.09 -4.50 0.60 0.00 0.03 0.00 0.00 46.19 42.23 1a7x s LEU 30 CO 0.02 -1.00 1.37 -1.84 0.23 0.00 0.00 176.35 175.13 1a7x n GLU 31 N -2.35 0.07 -0.04 1.70 0.00 -1.10 -0.63 120.64 118.28 1a7x n GLU 31 Ca 0.07 0.51 0.07 0.00 0.00 0.00 0.00 57.16 57.82 1a7x n GLU 31 Cb 0.54 -1.71 0.35 0.00 0.00 0.00 0.00 31.44 30.62 1a7x n GLU 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1a7x n ASP 32 N -1.85 0.69 0.00 -1.84 5.75 -1.26 -4.91 116.55 113.12 1a7x n ASP 32 Ca 0.00 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1a7x n ASP 32 Cb 0.06 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1a7x n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a7x n GLY 33 N 0.86 2.18 3.68 6.12 0.00 0.20 -5.03 105.19 113.19 1a7x n GLY 33 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1a7x n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a7x s LYS 34 N -0.78 4.17 0.06 1.61 2.36 -1.25 -4.68 119.74 121.24 1a7x s LYS 34 Ca 0.00 2.40 -0.30 0.00 -2.55 0.00 0.00 55.97 55.51 1a7x s LYS 34 Cb 0.00 -3.82 -0.05 0.00 -1.05 0.00 0.00 37.83 32.90 1a7x s LYS 34 CO 0.00 -0.83 1.17 0.21 1.55 0.00 0.00 175.35 177.45 1a7x s LYS 35 N 3.41 4.46 -0.00 4.03 2.20 -1.26 -0.47 119.74 132.11 1a7x s LYS 35 Ca 0.78 1.73 0.05 0.00 -0.36 0.00 0.00 55.97 58.17 1a7x s LYS 35 Cb -0.40 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1a7x s LYS 35 CO 0.34 -0.21 0.21 1.97 -0.36 0.00 0.00 175.35 177.30 1a7x n PHE 36 N 3.81 0.00 -3.56 4.03 1.16 -0.53 -4.94 117.46 117.43 1a7x n PHE 36 Ca 0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.58 1a7x n PHE 36 Cb 0.47 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.29 1a7x n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1a7x s ASP 37 N -1.67 -0.29 -0.28 5.98 2.15 -1.22 -5.01 116.67 116.33 1a7x s ASP 37 Ca 0.01 0.17 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 1a7x s ASP 37 Cb 0.04 0.27 0.09 0.00 -0.30 0.00 0.00 42.92 43.02 1a7x s ASP 37 CO 0.22 -0.38 0.75 -0.55 -0.17 0.00 0.00 175.17 175.04 1a7x s SER 38 N -1.73 -0.83 0.40 -0.34 0.15 -1.26 -0.30 113.70 109.78 1a7x s SER 38 Ca 0.03 1.39 0.20 0.00 0.70 0.00 0.00 55.95 58.28 1a7x s SER 38 Cb -0.01 1.36 0.77 0.00 -1.71 0.00 0.00 66.02 66.43 1a7x s SER 38 CO -0.04 -0.22 1.77 0.77 1.20 0.00 0.00 173.24 176.72 1a7x h SER 39 N 6.33 0.00 -0.35 5.45 4.64 -1.66 -3.04 113.55 124.93 1a7x h SER 39 Ca -0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1a7x h SER 39 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1a7x h SER 39 CO 0.14 0.32 0.12 0.03 -0.87 0.00 0.00 176.83 176.57 1a7x h ARG 40 N 0.00 0.60 0.00 4.77 3.08 -1.81 -0.39 114.38 120.63 1a7x h ARG 40 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1a7x h ARG 40 Cb 0.83 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1a7x h ARG 40 CO 0.04 0.54 0.00 -0.44 -1.07 0.00 0.00 179.97 179.04 1a7x h ASP 41 N 0.59 0.00 0.09 7.04 3.32 -1.89 -1.91 116.42 123.66 1a7x h ASP 41 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1a7x h ASP 41 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1a7x h ASP 41 CO -0.01 0.00 -0.43 0.54 -1.72 0.00 0.00 179.24 177.62 1a7x n ARG 42 N -3.00 0.98 -2.10 3.56 1.74 -0.51 -4.97 116.66 112.36 1a7x n ARG 42 Ca 0.02 -0.74 -0.15 0.00 -0.77 0.00 0.00 57.85 56.21 1a7x n ARG 42 Cb 0.37 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1a7x n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a7x n ASN 43 N -0.36 -4.26 -4.03 0.55 4.13 -0.27 -4.95 115.26 106.06 1a7x n ASN 43 Ca 0.10 0.21 -0.20 0.00 1.68 0.00 0.00 54.58 56.37 1a7x n ASN 43 Cb 0.42 -3.69 -0.15 0.00 -1.54 0.00 0.00 39.78 34.82 1a7x n ASN 43 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1a7x s LYS 44 N -4.45 0.86 0.63 3.52 1.02 -1.16 -5.03 119.74 115.14 1a7x s LYS 44 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.47 1a7x s LYS 44 Cb 0.00 -0.82 -0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1a7x s LYS 44 CO 0.00 0.18 1.23 -2.14 -0.92 0.00 0.00 175.35 173.70 1a7x s PRO 45 N -0.10 2.72 0.12 -1.68 0.02 -1.26 -4.59 135.00 130.24 1a7x s PRO 45 Ca 0.02 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 62.68 1a7x s PRO 45 Cb -0.05 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 1a7x s PRO 45 CO -0.00 -1.41 0.71 0.12 -0.33 0.00 0.00 177.00 176.08 1a7x s PHE 46 N -1.62 3.86 0.01 6.54 5.36 -0.47 -4.89 117.98 126.77 1a7x s PHE 46 Ca 0.78 1.50 0.05 0.00 -0.96 0.00 0.00 56.93 58.30 1a7x s PHE 46 Cb -0.32 -2.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.66 1a7x s PHE 46 CO 0.37 0.51 -0.14 0.15 -1.46 0.00 0.00 175.22 174.65 1a7x s LYS 47 N -1.01 1.08 0.05 10.12 1.02 -1.26 -1.24 119.74 128.49 1a7x s LYS 47 Ca 0.34 -0.59 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 1a7x s LYS 47 Cb -0.22 -1.06 0.04 0.00 -0.52 0.00 0.00 37.83 36.08 1a7x s LYS 47 CO 0.24 0.28 0.45 -0.59 -0.92 0.00 0.00 175.35 174.80 1a7x s PHE 48 N -0.50 -0.31 -0.15 3.18 -0.71 -0.91 -4.98 117.98 113.60 1a7x s PHE 48 Ca 0.04 0.29 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 1a7x s PHE 48 Cb -0.06 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1a7x s PHE 48 CO 0.00 -0.60 0.04 1.41 -1.34 0.00 0.00 175.22 174.73 1a7x s MET 49 N -2.51 3.61 0.08 1.99 1.75 -1.26 -0.73 119.30 122.23 1a7x s MET 49 Ca -0.05 -0.37 -0.31 0.00 -1.25 0.00 0.00 55.69 53.72 1a7x s MET 49 Cb -0.01 -3.05 -0.07 0.00 2.84 0.00 0.00 34.83 34.54 1a7x s MET 49 CO -0.03 0.43 1.38 -0.51 -0.65 0.00 0.00 175.02 175.65 1a7x s LEU 50 N -0.11 4.36 0.00 4.11 1.02 -0.22 -2.39 118.68 125.44 1a7x s LEU 50 Ca 0.06 2.23 0.00 0.00 0.02 0.00 0.00 54.13 56.44 1a7x s LEU 50 Cb -0.12 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.51 1a7x s LEU 50 CO 0.01 -0.65 0.00 0.61 0.02 0.00 0.00 176.35 176.34 1a7x n GLY 51 N 3.51 0.64 0.41 -3.19 0.00 -1.26 0.11 105.19 105.41 1a7x n GLY 51 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1a7x n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a7x n LYS 52 N -2.00 1.53 -3.84 1.61 4.81 -1.01 -4.91 118.16 114.35 1a7x n LYS 52 Ca 0.00 -0.80 -0.28 0.00 -0.87 0.00 0.00 58.31 56.36 1a7x n LYS 52 Cb 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 35.03 33.75 1a7x n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1a7x n GLN 53 N 0.05 -5.76 0.00 1.64 6.02 -1.26 -4.90 117.38 113.16 1a7x n GLN 53 Ca 0.14 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1a7x n GLN 53 Cb 0.25 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.01 1a7x n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1a7x n GLU 54 N -4.66 2.62 -4.08 -1.09 0.28 -1.26 -5.05 120.64 107.40 1a7x n GLU 54 Ca -0.02 -1.37 -0.09 0.00 -0.16 0.00 0.00 57.16 55.52 1a7x n GLU 54 Cb 0.56 -0.94 -0.09 0.00 1.43 0.00 0.00 31.44 32.40 1a7x n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1a7x s VAL 55 N -0.87 0.12 0.81 3.84 -7.23 -1.26 -5.06 120.40 110.76 1a7x s VAL 55 Ca 0.00 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1a7x s VAL 55 Cb 0.00 -1.84 0.09 0.00 0.56 0.00 0.00 36.38 35.19 1a7x s VAL 55 CO 0.00 -0.56 1.13 0.27 -0.31 0.00 0.00 175.10 175.63 1a7x s ILE 56 N -3.99 2.64 0.27 -0.62 -4.36 -1.26 -4.88 121.20 108.99 1a7x s ILE 56 Ca 0.18 0.23 -0.03 0.00 -0.26 0.00 0.00 60.65 60.76 1a7x s ILE 56 Cb 0.07 -2.54 0.27 0.00 1.25 0.00 0.00 42.46 41.50 1a7x s ILE 56 CO -0.02 -0.25 1.91 -0.09 0.24 0.00 0.00 174.94 176.73 1a7x h ARG 57 N -1.20 1.19 -0.63 0.37 2.43 -1.85 -2.40 114.38 112.29 1a7x h ARG 57 Ca -0.44 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 1a7x h ARG 57 Cb 1.26 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 1a7x h ARG 57 CO 0.47 0.79 0.42 0.78 -1.51 0.00 0.00 179.97 180.92 1a7x h GLY 58 N 1.23 0.78 0.76 2.80 0.00 -1.12 -0.68 103.07 106.84 1a7x h GLY 58 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1a7x h GLY 58 CO -0.12 0.19 -0.00 1.49 0.00 0.00 0.00 176.54 178.09 1a7x h TRP 59 N 0.62 0.22 -0.32 5.60 4.06 -1.70 -0.44 115.95 124.00 1a7x h TRP 59 Ca 0.27 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 61.12 1a7x h TRP 59 Cb 0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1a7x h TRP 59 CO -0.00 0.45 -0.05 0.93 -3.56 0.00 0.00 178.44 176.20 1a7x h GLU 60 N -0.07 0.60 0.00 0.49 5.08 -1.44 -0.26 114.58 118.98 1a7x h GLU 60 Ca 0.03 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 1a7x h GLU 60 Cb 0.36 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1a7x h GLU 60 CO 0.01 0.77 -0.74 0.93 -1.00 0.00 0.00 179.01 178.97 1a7x h GLU 61 N 0.38 0.00 0.22 2.33 5.08 -1.22 -2.26 114.58 119.10 1a7x h GLU 61 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a7x h GLU 61 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1a7x h GLU 61 CO 0.03 0.74 -0.10 0.78 -1.00 0.00 0.00 179.01 179.45 1a7x h GLY 62 N 2.86 -0.31 1.95 -3.84 0.00 -0.93 -3.29 103.07 99.51 1a7x h GLY 62 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1a7x h GLY 62 CO 0.10 -0.11 -0.19 -2.08 0.00 0.00 0.00 176.54 174.25 1a7x h VAL 63 N -0.83 1.16 -0.01 4.60 2.07 -1.13 -2.16 116.25 119.96 1a7x h VAL 63 Ca -0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1a7x h VAL 63 Cb 0.51 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1a7x h VAL 63 CO 0.05 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.88 1a7x h ALA 64 N 1.74 1.30 -0.16 1.67 0.00 -1.47 -1.37 119.26 120.97 1a7x h ALA 64 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a7x h ALA 64 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a7x h ALA 64 CO 0.03 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1a7x n GLN 65 N -3.47 1.98 -4.04 0.00 6.02 -0.81 -4.50 117.38 112.55 1a7x n GLN 65 Ca -0.03 -1.45 -0.30 0.00 -0.01 0.00 0.00 57.00 55.22 1a7x n GLN 65 Cb 0.10 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 1a7x n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1a7x s MET 66 N -1.81 2.95 0.28 -1.09 -1.94 -0.52 -5.10 119.30 112.08 1a7x s MET 66 Ca 0.34 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1a7x s MET 66 Cb 0.20 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 1a7x s MET 66 CO 0.30 0.55 0.25 -1.54 -0.01 0.00 0.00 175.02 174.57 1a7x s SER 67 N -2.55 5.49 0.33 3.03 1.04 -1.26 -4.22 113.70 115.56 1a7x s SER 67 Ca 0.30 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 1a7x s SER 67 Cb -0.12 -1.26 -0.11 0.00 0.10 0.00 0.00 66.02 64.63 1a7x s SER 67 CO 0.23 -0.17 1.57 -0.69 0.98 0.00 0.00 173.24 175.16 1a7x s VAL 68 N -2.19 2.01 0.00 5.02 1.01 -0.40 -1.88 120.40 123.97 1a7x s VAL 68 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1a7x s VAL 68 Cb -0.07 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1a7x s VAL 68 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1a7x n GLY 69 N 1.48 1.47 3.77 4.51 0.00 0.23 -1.24 105.19 115.41 1a7x n GLY 69 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1a7x n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a7x s GLN 70 N -0.61 4.48 -0.08 1.61 0.74 -0.79 -4.27 119.66 120.74 1a7x s GLN 70 Ca 0.00 1.60 0.04 0.00 0.05 0.00 0.00 55.36 57.05 1a7x s GLN 70 Cb 0.00 -2.91 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 1a7x s GLN 70 CO 0.00 0.12 -0.20 0.50 -0.55 0.00 0.00 175.29 175.17 1a7x s ARG 71 N -1.88 2.86 0.06 1.67 3.52 -0.23 -1.26 118.95 123.68 1a7x s ARG 71 Ca 0.50 -0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 1a7x s ARG 71 Cb -0.26 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1a7x s ARG 71 CO 0.33 0.34 0.27 0.00 -0.81 0.00 0.00 175.30 175.43 1a7x s ALA 72 N -0.03 -0.56 -0.23 6.12 0.00 0.10 -0.28 121.76 126.88 1a7x s ALA 72 Ca -0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 1a7x s ALA 72 Cb -0.15 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1a7x s ALA 72 CO 0.05 -0.44 0.15 0.21 0.00 0.00 0.00 175.76 175.73 1a7x s LYS 73 N -2.86 4.11 -0.15 0.00 2.20 -0.18 -0.71 119.74 122.13 1a7x s LYS 73 Ca -0.03 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1a7x s LYS 73 Cb 0.00 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1a7x s LYS 73 CO -0.05 0.14 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.46 1a7x s LEU 74 N 0.81 2.77 -0.21 5.43 1.43 -0.15 -0.91 118.68 127.86 1a7x s LEU 74 Ca 0.08 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1a7x s LEU 74 Cb -0.13 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1a7x s LEU 74 CO 0.02 0.12 -0.00 -0.89 0.23 0.00 0.00 176.35 175.83 1a7x s THR 75 N 0.63 3.84 -0.20 5.49 2.01 -0.58 -0.83 115.64 125.99 1a7x s THR 75 Ca -0.06 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1a7x s THR 75 Cb -0.15 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1a7x s THR 75 CO 0.03 0.42 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 1a7x s ILE 76 N 1.19 2.27 0.82 1.82 1.01 -0.12 -1.04 121.20 127.15 1a7x s ILE 76 Ca 0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1a7x s ILE 76 Cb -0.15 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.37 1a7x s ILE 76 CO 0.01 0.42 1.09 -0.94 0.00 0.00 0.00 174.94 175.52 1a7x s SER 77 N 1.28 4.11 0.36 3.58 1.04 -0.79 -1.25 113.70 122.04 1a7x s SER 77 Ca 0.03 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.25 1a7x s SER 77 Cb -0.14 -2.44 0.67 0.00 0.10 0.00 0.00 66.02 64.21 1a7x s SER 77 CO -0.10 -2.27 2.01 -0.65 0.98 0.00 0.00 173.24 173.20 1a7x h PRO 78 N -1.30 0.80 0.00 4.02 0.11 -1.87 -0.55 132.00 133.21 1a7x h PRO 78 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a7x h PRO 78 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1a7x h PRO 78 CO 0.51 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 1a7x n ASP 79 N -4.45 0.00 -0.71 -2.05 5.75 -1.26 -0.88 116.55 112.96 1a7x n ASP 79 Ca 0.07 0.45 0.06 0.00 -0.01 0.00 0.00 54.79 55.36 1a7x n ASP 79 Cb 0.06 -0.47 0.18 0.00 -1.03 0.00 0.00 41.12 39.85 1a7x n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1a7x n TYR 80 N -1.47 0.58 0.00 2.11 4.02 -0.22 -4.89 117.16 117.28 1a7x n TYR 80 Ca 0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 1a7x n TYR 80 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1a7x n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a7x n ALA 81 N 0.31 0.00 0.13 -0.72 0.00 -0.28 -0.46 120.51 119.49 1a7x n ALA 81 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1a7x n ALA 81 Cb 0.53 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.13 1a7x n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a7x n TYR 82 N 0.00 0.38 -3.77 0.00 4.01 -1.20 -4.76 117.16 111.82 1a7x n TYR 82 Ca 0.00 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1a7x n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1a7x n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a7x n GLY 83 N 0.91 1.89 0.26 2.72 0.00 -0.06 -1.89 105.19 109.02 1a7x n GLY 83 Ca 0.13 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.87 1a7x n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7x h ALA 84 N -0.75 1.00 0.08 4.61 0.00 -1.95 0.11 119.26 122.36 1a7x h ALA 84 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1a7x h ALA 84 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1a7x h ALA 84 CO 0.00 0.00 -1.63 1.15 0.00 0.00 0.00 179.25 178.77 1a7x h THR 85 N 0.00 1.01 -0.33 0.00 2.02 -1.85 -3.38 112.91 110.38 1a7x h THR 85 Ca 0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1a7x h THR 85 Cb 0.46 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1a7x h THR 85 CO 0.00 0.76 0.00 0.61 0.37 0.00 0.00 175.52 177.26 1a7x n GLY 86 N 1.68 -1.04 2.79 2.16 0.00 -0.79 -4.38 105.19 105.60 1a7x n GLY 86 Ca -0.18 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1a7x n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a7x s HIS 87 N 0.00 2.10 -0.26 1.61 2.46 -0.18 -4.90 115.29 116.13 1a7x s HIS 87 Ca 0.00 -1.98 -0.40 0.00 0.47 0.00 0.00 55.06 53.14 1a7x s HIS 87 Cb 0.00 -1.95 -0.16 0.00 -0.13 0.00 0.00 32.58 30.34 1a7x s HIS 87 CO 0.00 -0.89 1.68 -2.30 -2.47 0.00 0.00 174.74 170.75 1a7x n PRO 88 N 4.73 1.02 0.00 2.88 -0.02 -1.26 -0.33 135.00 142.01 1a7x n PRO 88 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1a7x n PRO 88 Cb 0.42 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1a7x n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a7x n GLY 89 N 3.95 2.43 0.68 -1.23 0.00 -1.26 -4.78 105.19 104.98 1a7x n GLY 89 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 1a7x n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a7x n ILE 90 N -2.00 1.09 -4.18 -0.61 2.08 0.55 -5.00 119.36 111.29 1a7x n ILE 90 Ca 0.00 0.16 -0.34 0.00 0.56 0.00 0.00 62.75 63.13 1a7x n ILE 90 Cb 0.00 -1.80 -0.14 0.00 -0.75 0.00 0.00 39.64 36.94 1a7x n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1a7x s ILE 91 N -2.30 3.03 0.86 1.39 -1.09 0.06 -4.96 121.20 118.20 1a7x s ILE 91 Ca -0.12 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 1a7x s ILE 91 Cb 0.03 -2.34 0.11 0.00 -1.58 0.00 0.00 42.46 38.68 1a7x s ILE 91 CO 0.17 0.47 1.10 -2.16 -1.23 0.00 0.00 174.94 173.30 1a7x s PRO 92 N 1.14 1.51 0.31 2.79 0.04 -1.26 -1.01 135.00 138.52 1a7x s PRO 92 Ca 0.01 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 1a7x s PRO 92 Cb -0.14 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1a7x s PRO 92 CO -0.03 -2.18 1.05 -2.30 0.04 0.00 0.00 177.00 173.59 1a7x n PRO 93 N -3.89 1.48 -3.76 0.56 -0.02 -1.26 -3.36 135.00 124.75 1a7x n PRO 93 Ca 0.09 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1a7x n PRO 93 Cb 0.53 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1a7x n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1a7x n HIS 94 N 0.17 -2.60 -3.33 6.00 8.25 0.02 -4.95 115.22 118.78 1a7x n HIS 94 Ca 0.09 0.96 -0.38 0.00 -0.26 0.00 0.00 57.72 58.13 1a7x n HIS 94 Cb 0.33 -4.52 -0.06 0.00 1.12 0.00 0.00 29.99 26.87 1a7x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a7x s ALA 95 N -3.31 3.48 0.03 -1.41 0.00 -1.21 -4.79 121.76 114.55 1a7x s ALA 95 Ca 0.63 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 1a7x s ALA 95 Cb -0.30 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1a7x s ALA 95 CO 0.78 0.01 0.85 0.99 0.00 0.00 0.00 175.76 178.39 1a7x s THR 96 N 0.59 4.76 0.08 0.00 2.01 -1.26 -3.61 115.64 118.21 1a7x s THR 96 Ca 0.25 1.80 0.05 0.00 0.31 0.00 0.00 61.69 64.10 1a7x s THR 96 Cb -0.15 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1a7x s THR 96 CO 0.10 0.29 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.53 1a7x s LEU 97 N 0.33 3.35 -0.12 4.42 1.43 -0.38 -2.72 118.68 124.98 1a7x s LEU 97 Ca 0.43 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1a7x s LEU 97 Cb -0.21 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1a7x s LEU 97 CO 0.25 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 176.15 1a7x s VAL 98 N -1.24 1.74 -0.01 -1.59 1.01 0.29 -0.94 120.40 119.66 1a7x s VAL 98 Ca 0.24 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1a7x s VAL 98 Cb -0.11 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1a7x s VAL 98 CO 0.16 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.14 1a7x s PHE 99 N 0.86 2.37 -0.34 5.22 0.08 -0.01 -0.23 117.98 125.93 1a7x s PHE 99 Ca -0.08 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1a7x s PHE 99 Cb -0.15 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1a7x s PHE 99 CO -0.01 0.03 0.17 0.34 -0.10 0.00 0.00 175.22 175.66 1a7x s ASP 100 N -0.80 5.60 0.03 1.36 -1.08 -0.67 -0.97 116.67 120.13 1a7x s ASP 100 Ca 0.11 -0.79 0.08 0.00 -0.52 0.00 0.00 52.55 51.43 1a7x s ASP 100 Cb -0.10 -2.00 -0.02 0.00 -1.46 0.00 0.00 42.92 39.34 1a7x s ASP 100 CO 0.00 -0.29 -0.22 -0.69 0.52 0.00 0.00 175.17 174.49 1a7x s VAL 101 N 1.57 1.80 -0.14 1.11 1.01 0.11 -1.80 120.40 124.05 1a7x s VAL 101 Ca 0.03 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1a7x s VAL 101 Cb -0.18 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1a7x s VAL 101 CO 0.06 0.33 -0.15 -0.70 0.00 0.00 0.00 175.10 174.64 1a7x s GLU 102 N -0.99 2.34 -0.46 2.72 2.12 -0.31 -0.72 118.70 123.40 1a7x s GLU 102 Ca 0.09 -0.58 -0.23 0.00 0.36 0.00 0.00 54.97 54.60 1a7x s GLU 102 Cb -0.09 -2.10 0.03 0.00 0.26 0.00 0.00 34.13 32.23 1a7x s GLU 102 CO 0.01 -0.20 0.81 -1.17 -0.54 0.00 0.00 175.26 174.17 1a7x s LEU 103 N 1.37 4.23 -0.07 2.70 2.96 -0.39 -2.11 118.68 127.37 1a7x s LEU 103 Ca 0.03 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 1a7x s LEU 103 Cb -0.13 -2.96 -0.30 0.00 0.50 0.00 0.00 46.19 43.30 1a7x s LEU 103 CO -0.09 -0.96 0.77 -0.07 -1.32 0.00 0.00 176.35 174.69 1a7x h LEU 104 N 10.24 0.41 -7.19 -0.68 3.38 -1.32 0.66 115.31 120.82 1a7x h LEU 104 Ca -0.25 -0.91 0.22 0.00 0.09 0.00 0.00 57.88 57.02 1a7x h LEU 104 Cb 1.08 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1a7x h LEU 104 CO 0.98 1.45 0.66 -1.59 0.09 0.00 0.00 178.44 180.03 1a7x s LYS 105 N -2.43 0.65 0.03 1.13 -2.85 -1.13 -4.53 119.74 110.60 1a7x s LYS 105 Ca -0.16 -0.30 0.07 0.00 -1.00 0.00 0.00 55.97 54.57 1a7x s LYS 105 Cb 0.02 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 1a7x s LYS 105 CO 0.80 -0.29 -0.17 -0.51 0.10 0.00 0.00 175.35 175.28 1a7x s LEU 106 N -2.61 2.63 0.00 2.77 1.43 -1.26 -1.03 118.68 120.61 1a7x s LEU 106 Ca 0.10 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1a7x s LEU 106 Cb 0.00 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1a7x s LEU 106 CO -0.04 0.27 0.00 -1.84 0.23 0.00 0.00 176.35 174.97