#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qou s SER 2 N 0.00 4.36 -1.42 0.00 1.04 -1.26 -4.31 113.70 112.11 1qou s SER 2 Ca 0.00 1.57 -0.08 0.00 0.48 0.00 0.00 55.95 57.91 1qou s SER 2 Cb 0.00 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.87 1qou s SER 2 CO 0.00 -2.09 0.62 -1.54 0.98 0.00 0.00 173.24 171.21 1qou n SER 3 N -3.54 -4.80 -4.61 7.02 3.41 -1.26 -5.00 113.62 104.84 1qou n SER 3 Ca 0.08 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.86 1qou n SER 3 Cb 0.54 -3.90 -0.05 0.00 -0.26 0.00 0.00 64.21 60.54 1qou n SER 3 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qou s ASP 4 N -2.82 6.65 0.59 4.04 -1.08 -1.26 -4.94 116.67 117.85 1qou s ASP 4 Ca 0.41 0.64 0.29 0.00 -0.52 0.00 0.00 52.55 53.37 1qou s ASP 4 Cb -0.20 -2.40 1.70 0.00 -1.46 0.00 0.00 42.92 40.56 1qou s ASP 4 CO 0.51 -0.61 2.13 -0.65 0.52 0.00 0.00 175.17 177.07 1qou h PRO 5 N 8.13 0.00 0.00 4.34 0.11 -1.98 -0.90 132.00 141.70 1qou h PRO 5 Ca -0.24 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 1qou h PRO 5 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1qou h PRO 5 CO 0.88 0.00 -0.59 -0.07 -0.21 0.00 0.00 178.00 178.01 1qou h LEU 6 N 0.00 0.00 0.01 2.35 3.38 -1.96 -0.59 115.31 118.50 1qou h LEU 6 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1qou h LEU 6 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qou h LEU 6 CO -0.00 0.59 -0.07 0.58 0.09 0.00 0.00 178.44 179.62 1qou h VAL 7 N 0.00 1.70 -0.68 1.22 2.07 -1.51 -0.40 116.25 118.65 1qou h VAL 7 Ca -0.01 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1qou h VAL 7 Cb 1.06 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 1qou h VAL 7 CO 0.08 0.56 0.43 0.40 0.02 0.00 0.00 177.57 179.05 1qou h ILE 8 N -0.84 1.19 -0.05 4.57 2.04 -1.39 -2.39 117.51 120.64 1qou h ILE 8 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1qou h ILE 8 Cb 0.96 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1qou h ILE 8 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.96 1qou n GLY 9 N -1.21 -0.62 2.55 5.37 0.00 -0.23 -4.93 105.19 106.12 1qou n GLY 9 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1qou n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qou n ARG 10 N -0.47 -2.46 -0.07 1.61 1.74 -0.90 -4.90 116.66 111.22 1qou n ARG 10 Ca 0.15 0.97 -0.12 0.00 -0.77 0.00 0.00 57.85 58.08 1qou n ARG 10 Cb 0.15 -5.68 -0.06 0.00 -1.02 0.00 0.00 32.46 25.85 1qou n ARG 10 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qou h VAL 11 N -0.32 1.30 -2.94 1.55 2.07 -1.35 -2.65 116.25 113.91 1qou h VAL 11 Ca -0.50 -1.13 -0.57 0.00 0.82 0.00 0.00 66.70 65.32 1qou h VAL 11 Cb 1.36 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1qou h VAL 11 CO 0.57 0.34 1.00 -0.63 0.02 0.00 0.00 177.57 178.88 1qou s ILE 12 N -4.60 4.02 0.00 4.57 1.01 -0.99 -1.15 121.20 124.05 1qou s ILE 12 Ca -0.14 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1qou s ILE 12 Cb 0.06 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1qou s ILE 12 CO 0.75 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1qou n GLY 13 N 4.21 2.42 0.29 6.18 0.00 -0.74 -4.80 105.19 112.75 1qou n GLY 13 Ca 0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1qou n GLY 13 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qou h ASP 14 N 0.00 1.04 0.00 1.61 3.32 -1.54 -3.40 116.42 117.45 1qou h ASP 14 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 57.03 56.38 1qou h ASP 14 Cb 0.00 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1qou h ASP 14 CO 0.00 1.19 -2.00 0.52 -1.72 0.00 0.00 179.24 177.23 1qou n VAL 15 N -4.12 0.99 -4.12 -1.35 0.31 -0.30 -5.07 118.33 104.67 1qou n VAL 15 Ca 0.00 -0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1qou n VAL 15 Cb 0.45 -1.52 -0.10 0.00 -0.91 0.00 0.00 33.84 31.76 1qou n VAL 15 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1qou s VAL 16 N -2.34 0.15 0.90 2.52 -7.23 -1.00 -4.20 120.40 109.21 1qou s VAL 16 Ca -0.25 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 1qou s VAL 16 Cb 0.08 -1.83 0.13 0.00 0.56 0.00 0.00 36.38 35.32 1qou s VAL 16 CO 0.35 -0.68 1.14 -1.81 -0.31 0.00 0.00 175.10 173.78 1qou s ASP 17 N -3.00 3.59 0.50 4.85 1.01 -1.26 -1.80 116.67 120.56 1qou s ASP 17 Ca 0.17 0.98 -0.23 0.00 0.71 0.00 0.00 52.55 54.18 1qou s ASP 17 Cb 0.08 -1.56 -0.07 0.00 1.01 0.00 0.00 42.92 42.38 1qou s ASP 17 CO -0.03 -2.50 1.34 1.57 0.21 0.00 0.00 175.17 175.75 1qou n HIS 18 N -3.74 2.28 -3.74 4.23 -0.00 -1.26 -4.86 115.22 108.14 1qou n HIS 18 Ca 0.07 0.45 -0.10 0.00 -0.00 0.00 0.00 57.72 58.13 1qou n HIS 18 Cb 0.59 -2.38 -0.06 0.00 -0.00 0.00 0.00 29.99 28.14 1qou n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 1qou s PHE 19 N -1.26 -0.07 -0.20 1.57 -0.71 -1.26 -5.02 117.98 111.03 1qou s PHE 19 Ca 0.67 -0.23 -0.03 0.00 -1.04 0.00 0.00 56.93 56.30 1qou s PHE 19 Cb -0.44 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.47 1qou s PHE 19 CO 0.53 -0.59 -0.07 0.99 -1.34 0.00 0.00 175.22 174.73 1qou s THR 20 N -3.45 3.21 0.36 -4.49 2.01 -1.26 -5.08 115.64 106.94 1qou s THR 20 Ca 0.01 -0.56 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 1qou s THR 20 Cb 0.02 -2.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1qou s THR 20 CO -0.09 0.45 1.27 -0.94 -0.69 0.00 0.00 174.62 174.62 1qou s SER 21 N 1.28 6.62 0.00 3.53 1.04 -1.26 -4.89 113.70 120.01 1qou s SER 21 Ca 0.03 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.07 1qou s SER 21 Cb -0.14 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1qou s SER 21 CO -0.03 -0.63 0.28 0.35 0.98 0.00 0.00 173.24 174.19 1qou n THR 22 N 0.50 0.00 -4.02 2.02 -2.24 -0.73 -5.04 114.28 104.77 1qou n THR 22 Ca 0.02 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 1qou n THR 22 Cb 0.43 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.62 1qou n THR 22 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qou s VAL 23 N -0.29 0.23 0.11 2.28 1.01 -1.17 -4.88 120.40 117.70 1qou s VAL 23 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1qou s VAL 23 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 36.10 1qou s VAL 23 CO 0.00 -0.02 0.37 -0.54 0.00 0.00 0.00 175.10 174.90 1qou s LYS 24 N -0.30 3.64 0.07 2.72 1.02 -1.26 -4.50 119.74 121.13 1qou s LYS 24 Ca -0.01 -0.03 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 1qou s LYS 24 Cb -0.02 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1qou s LYS 24 CO -0.00 0.51 0.18 0.00 -0.92 0.00 0.00 175.35 175.12 1qou s MET 25 N -2.39 0.78 -0.03 1.68 0.23 -1.26 -0.88 119.30 117.43 1qou s MET 25 Ca 0.38 -0.86 0.01 0.00 -1.03 0.00 0.00 55.69 54.19 1qou s MET 25 Cb -0.13 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1qou s MET 25 CO 0.22 -0.24 -0.02 -1.12 -2.03 0.00 0.00 175.02 171.83 1qou s SER 26 N -2.59 0.58 -0.28 -1.18 0.01 -0.92 -4.99 113.70 104.33 1qou s SER 26 Ca 0.02 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.13 1qou s SER 26 Cb 0.03 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1qou s SER 26 CO -0.09 -0.06 0.11 -0.69 0.41 0.00 0.00 173.24 172.92 1qou s VAL 27 N 0.80 4.45 -0.20 3.43 1.01 -1.26 -1.33 120.40 127.29 1qou s VAL 27 Ca -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1qou s VAL 27 Cb -0.12 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1qou s VAL 27 CO -0.01 0.22 -0.15 -0.63 0.00 0.00 0.00 175.10 174.53 1qou s ILE 28 N 1.62 2.40 0.11 2.22 -1.09 -0.18 -1.50 121.20 124.78 1qou s ILE 28 Ca 0.06 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1qou s ILE 28 Cb -0.16 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1qou s ILE 28 CO 0.05 0.44 0.15 -0.31 -1.23 0.00 0.00 174.94 174.04 1qou s TYR 29 N 1.32 3.27 -0.41 3.97 2.02 -0.17 -1.44 117.35 125.91 1qou s TYR 29 Ca 0.04 0.08 0.09 0.00 -0.37 0.00 0.00 57.07 56.91 1qou s TYR 29 Cb -0.14 -1.62 0.34 0.00 -0.40 0.00 0.00 41.96 40.14 1qou s TYR 29 CO -0.10 0.53 0.94 -1.71 -1.57 0.00 0.00 175.55 173.64 1qou n ASN 30 N 0.04 -0.70 -0.01 2.29 4.05 -1.26 -0.62 115.26 119.06 1qou n ASN 30 Ca -0.08 -3.31 0.14 0.00 0.45 0.00 0.00 54.58 51.79 1qou n ASN 30 Cb 0.53 0.61 0.62 0.00 1.23 0.00 0.00 39.78 42.77 1qou n ASN 30 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1qou n SER 31 N 0.28 0.07 -0.30 1.20 7.64 -1.26 -4.96 113.62 116.29 1qou n SER 31 Ca 0.15 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1qou n SER 31 Cb 0.69 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1qou n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qou n SER 32 N -1.41 0.00 -4.85 6.43 3.41 -1.26 -4.93 113.62 111.00 1qou n SER 32 Ca 0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 1qou n SER 32 Cb 0.31 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 1qou n SER 32 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1qou s ILE 32 N -1.13 5.17 -0.18 -1.33 -5.25 -1.26 -5.01 121.20 112.21 1qou s ILE 32 Ca 0.00 0.60 -0.01 0.00 -0.99 0.00 0.00 60.65 60.26 1qou s ILE 32 Cb 0.00 -3.62 0.00 0.00 2.95 0.00 0.00 42.46 41.79 1qou s ILE 32 CO 0.00 0.54 -0.14 -0.54 -1.79 0.00 0.00 174.94 173.01 1qou s LYS 33 N -1.21 3.18 -0.00 0.37 -0.14 0.21 -4.97 119.74 117.18 1qou s LYS 33 Ca 0.23 -0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 53.90 1qou s LYS 33 Cb -0.15 -2.70 -0.06 0.00 -1.68 0.00 0.00 37.83 33.24 1qou s LYS 33 CO 0.12 -0.11 0.56 -1.58 -0.76 0.00 0.00 175.35 173.57 1qou s HIS 34 N 1.14 3.69 -0.16 3.18 5.65 -1.26 -0.99 115.29 126.55 1qou s HIS 34 Ca 0.01 1.16 -0.29 0.00 0.25 0.00 0.00 55.06 56.18 1qou s HIS 34 Cb -0.14 -2.54 -0.00 0.00 -1.18 0.00 0.00 32.58 28.71 1qou s HIS 34 CO -0.05 0.41 1.03 0.08 -0.65 0.00 0.00 174.74 175.56 1qou s VAL 35 N -0.38 4.71 -0.12 0.89 1.01 -0.56 -5.01 120.40 120.94 1qou s VAL 35 Ca 0.29 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.29 1qou s VAL 35 Cb -0.18 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1qou s VAL 35 CO 0.16 -0.07 -0.15 -0.31 0.00 0.00 0.00 175.10 174.73 1qou s TYR 36 N 2.54 2.77 -0.08 5.22 2.02 -1.26 -4.70 117.35 123.86 1qou s TYR 36 Ca 0.47 -0.68 -0.38 0.00 -0.37 0.00 0.00 57.07 56.11 1qou s TYR 36 Cb -0.17 -1.81 -0.16 0.00 -0.40 0.00 0.00 41.96 39.41 1qou s TYR 36 CO 0.13 -0.22 1.50 0.09 -1.57 0.00 0.00 175.55 175.48 1qou n ASN 37 N 3.46 1.89 0.00 2.29 3.02 -1.25 -1.30 115.26 123.37 1qou n ASN 37 Ca -0.18 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 1qou n ASN 37 Cb 0.53 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 1qou n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qou n GLY 38 N 3.21 1.98 3.82 7.41 0.00 -0.93 -5.01 105.19 115.67 1qou n GLY 38 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1qou n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qou s HIS 39 N -3.18 3.25 0.05 1.61 3.76 -0.42 -4.64 115.29 115.72 1qou s HIS 39 Ca 0.00 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.36 1qou s HIS 39 Cb 0.00 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.74 1qou s HIS 39 CO 0.00 -0.37 0.41 -2.00 -0.85 0.00 0.00 174.74 171.93 1qou s GLU 40 N -3.40 3.84 0.07 1.40 2.12 -1.26 -1.46 118.70 120.02 1qou s GLU 40 Ca 0.63 0.30 0.08 0.00 0.36 0.00 0.00 54.97 56.35 1qou s GLU 40 Cb -0.11 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1qou s GLU 40 CO 0.19 0.61 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.79 1qou s LEU 41 N -1.54 2.23 0.56 2.70 1.43 -0.84 -4.92 118.68 118.31 1qou s LEU 41 Ca 0.29 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1qou s LEU 41 Cb -0.15 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 1qou s LEU 41 CO 0.16 0.15 1.02 -0.36 0.23 0.00 0.00 176.35 177.55 1qou s PHE 42 N -0.95 3.30 0.34 0.29 0.08 -1.26 -4.56 117.98 115.22 1qou s PHE 42 Ca 0.09 1.46 0.05 0.00 0.12 0.00 0.00 56.93 58.65 1qou s PHE 42 Cb -0.10 -2.86 0.70 0.00 -0.57 0.00 0.00 43.02 40.19 1qou s PHE 42 CO 0.03 -0.70 1.91 -1.35 -0.10 0.00 0.00 175.22 175.01 1qou h PRO 43 N 0.54 0.80 0.00 0.24 0.11 -1.92 -1.37 132.00 130.40 1qou h PRO 43 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qou h PRO 43 Cb 1.20 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1qou h PRO 43 CO 0.60 0.53 -0.00 0.66 -0.21 0.00 0.00 178.00 179.57 1qou h SER 44 N 0.82 0.00 0.57 -2.05 4.64 -1.94 -2.19 113.55 113.41 1qou h SER 44 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1qou h SER 44 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1qou h SER 44 CO -0.16 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 175.42 1qou n ALA 45 N -2.09 3.29 -1.36 5.18 0.00 -0.52 -4.15 120.51 120.86 1qou n ALA 45 Ca -0.02 -0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1qou n ALA 45 Cb 0.15 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 18.57 1qou n ALA 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qou n VAL 46 N -1.45 1.88 0.17 0.00 0.24 -0.83 -4.22 118.33 114.13 1qou n VAL 46 Ca 0.06 -2.52 0.04 0.00 -2.04 0.00 0.00 64.34 59.88 1qou n VAL 46 Cb 0.33 -0.17 0.24 0.00 -1.47 0.00 0.00 33.84 32.77 1qou n VAL 46 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1qou h THR 47 N 0.90 0.94 -3.31 3.34 1.35 -1.71 -3.40 112.91 111.01 1qou h THR 47 Ca -0.01 -1.79 -0.52 0.00 -0.55 0.00 0.00 66.41 63.54 1qou h THR 47 Cb 1.04 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1qou h THR 47 CO 0.00 0.43 -0.10 -0.44 -0.25 0.00 0.00 175.52 175.17 1qou s SER 48 N -6.47 6.49 0.26 5.36 0.01 -1.26 -4.78 113.70 113.31 1qou s SER 48 Ca 0.01 0.81 -0.31 0.00 1.31 0.00 0.00 55.95 57.77 1qou s SER 48 Cb 0.10 -2.18 -0.12 0.00 0.21 0.00 0.00 66.02 64.03 1qou s SER 48 CO 0.71 -0.20 1.66 -0.89 0.41 0.00 0.00 173.24 174.93 1qou s THR 49 N -2.08 2.02 0.86 1.44 2.01 -1.26 -4.90 115.64 113.73 1qou s THR 49 Ca 0.46 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.36 1qou s THR 49 Cb -0.11 -3.01 0.16 0.00 0.01 0.00 0.00 72.50 69.56 1qou s THR 49 CO 0.29 0.00 1.19 -2.16 -0.69 0.00 0.00 174.62 173.25 1qou s PRO 50 N 0.23 1.11 -0.20 4.92 0.04 -1.26 -4.82 135.00 135.02 1qou s PRO 50 Ca 0.69 -0.61 -0.05 0.00 0.04 0.00 0.00 61.00 61.07 1qou s PRO 50 Cb -0.49 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1qou s PRO 50 CO 0.41 -2.00 -0.01 0.50 0.04 0.00 0.00 177.00 175.93 1qou s ARG 52 N -5.60 3.56 -0.38 4.56 3.52 -0.52 -4.95 118.95 119.14 1qou s ARG 52 Ca 0.70 -0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1qou s ARG 52 Cb -0.05 -3.05 0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1qou s ARG 52 CO 0.50 -0.03 0.27 0.08 -0.81 0.00 0.00 175.30 175.31 1qou s VAL 53 N 1.10 5.23 -0.12 7.11 1.01 -1.26 -1.01 120.40 132.45 1qou s VAL 53 Ca 0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1qou s VAL 53 Cb -0.14 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1qou s VAL 53 CO 0.01 -0.20 0.89 -1.61 0.00 0.00 0.00 175.10 174.19 1qou s GLU 54 N 1.69 4.37 -0.48 2.72 0.41 -0.45 -0.91 118.70 126.06 1qou s GLU 54 Ca 0.05 1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 55.65 1qou s GLU 54 Cb -0.18 -3.54 0.11 0.00 -1.78 0.00 0.00 34.13 28.73 1qou s GLU 54 CO 0.10 -0.26 0.38 0.08 -0.49 0.00 0.00 175.26 175.07 1qou s VAL 55 N 1.87 4.66 -0.43 2.63 1.01 -0.82 -2.17 120.40 127.15 1qou s VAL 55 Ca 0.42 -1.51 0.23 0.00 0.00 0.00 0.00 61.98 61.13 1qou s VAL 55 Cb -0.18 -3.95 0.32 0.00 0.00 0.00 0.00 36.38 32.58 1qou s VAL 55 CO 0.16 -0.71 1.58 0.45 0.00 0.00 0.00 175.10 176.58 1qou h HIS 56 N 8.61 0.00 -3.65 5.22 -0.00 -1.28 -3.06 115.15 120.99 1qou h HIS 56 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1qou h HIS 56 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1qou h HIS 56 CO 0.66 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 179.00 1qou n GLY 57 N 1.10 5.21 7.00 2.45 0.00 -1.26 -4.59 105.19 115.11 1qou n GLY 57 Ca 0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1qou n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qou n GLY 58 N 5.00 -1.72 3.22 -0.02 0.00 -1.26 -2.16 105.19 108.25 1qou n GLY 58 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 1qou n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qou s ASP 59 N -4.00 0.50 0.61 1.61 1.47 -1.26 -4.44 116.67 111.16 1qou s ASP 59 Ca 0.00 -1.47 0.33 0.00 1.18 0.00 0.00 52.55 52.59 1qou s ASP 59 Cb 0.00 0.42 1.93 0.00 -0.34 0.00 0.00 42.92 44.93 1qou s ASP 59 CO 0.00 -0.89 2.26 0.24 0.68 0.00 0.00 175.17 177.46 1qou h MET 60 N 2.51 0.00 -0.30 2.11 2.86 -1.90 -1.70 114.93 118.50 1qou h MET 60 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1qou h MET 60 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1qou h MET 60 CO 0.49 0.00 0.00 0.54 1.06 0.00 0.00 176.91 179.00 1qou n ARG 61 N -3.66 1.90 -5.13 1.72 3.00 -1.26 -4.54 116.66 108.69 1qou n ARG 61 Ca -0.02 -1.38 -0.32 0.00 -0.01 0.00 0.00 57.85 56.12 1qou n ARG 61 Cb 0.12 -1.37 -0.15 0.00 0.00 0.00 0.00 32.46 31.06 1qou n ARG 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1qou s SER 62 N -1.28 3.43 0.06 0.55 1.04 -0.69 -5.04 113.70 111.77 1qou s SER 62 Ca 0.30 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1qou s SER 62 Cb 0.16 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 1qou s SER 62 CO 0.23 0.29 -0.05 -0.36 0.98 0.00 0.00 173.24 174.34 1qou s PHE 63 N -0.44 2.90 0.05 5.02 0.40 -1.26 -1.60 117.98 123.05 1qou s PHE 63 Ca 0.05 -0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1qou s PHE 63 Cb -0.12 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1qou s PHE 63 CO 0.01 0.43 -0.17 -0.06 0.70 0.00 0.00 175.22 176.14 1qou s PHE 64 N -1.18 1.47 -0.08 0.36 0.40 -0.11 -1.49 117.98 117.36 1qou s PHE 64 Ca 0.22 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1qou s PHE 64 Cb -0.11 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 1qou s PHE 64 CO 0.13 0.08 -0.04 0.99 0.70 0.00 0.00 175.22 177.08 1qou s THR 65 N -0.91 3.94 -0.13 0.64 2.01 -0.46 -1.51 115.64 119.22 1qou s THR 65 Ca 0.04 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1qou s THR 65 Cb -0.09 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 1qou s THR 65 CO 0.02 0.60 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.19 1qou s LEU 66 N -0.81 2.68 -0.08 4.42 2.96 -0.24 -1.16 118.68 126.45 1qou s LEU 66 Ca 0.12 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1qou s LEU 66 Cb -0.11 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1qou s LEU 66 CO 0.02 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.36 1qou s ILE 67 N 0.43 1.80 -0.21 6.68 1.01 -0.48 -1.86 121.20 128.57 1qou s ILE 67 Ca -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1qou s ILE 67 Cb -0.16 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1qou s ILE 67 CO 0.05 0.50 -0.05 -0.32 0.00 0.00 0.00 174.94 175.13 1qou s MET 68 N 0.25 3.41 0.05 2.79 -2.45 -0.61 -1.01 119.30 121.73 1qou s MET 68 Ca -0.13 -0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 53.64 1qou s MET 68 Cb -0.16 -2.97 -0.02 0.00 1.25 0.00 0.00 34.83 32.93 1qou s MET 68 CO 0.06 -0.12 0.08 -0.08 1.05 0.00 0.00 175.02 176.01 1qou s THR 69 N 1.28 0.16 -0.24 10.11 -1.32 -0.35 -1.14 115.64 124.14 1qou s THR 69 Ca 0.03 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.23 1qou s THR 69 Cb -0.14 -1.15 0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1qou s THR 69 CO -0.02 -0.72 -0.11 -0.62 -2.21 0.00 0.00 174.62 170.94 1qou s ASP 70 N -2.50 4.16 0.00 8.08 -1.08 -0.49 -1.51 116.67 123.33 1qou s ASP 70 Ca 0.00 -1.26 0.28 0.00 -0.52 0.00 0.00 52.55 51.06 1qou s ASP 70 Cb 0.03 -1.47 1.16 0.00 -1.46 0.00 0.00 42.92 41.17 1qou s ASP 70 CO -0.07 -0.17 1.81 -0.81 0.52 0.00 0.00 175.17 176.44 1qou n PRO 71 N 4.50 1.23 -2.09 4.34 -0.04 -1.26 -1.23 135.00 140.44 1qou n PRO 71 Ca -0.15 -0.59 -0.36 0.00 -0.04 0.00 0.00 63.50 62.36 1qou n PRO 71 Cb 0.43 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1qou n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qou n ASP 72 N -0.37 6.63 -4.35 3.54 8.00 -1.26 -4.67 116.55 124.07 1qou n ASP 72 Ca 0.18 -3.80 -0.32 0.00 0.71 0.00 0.00 54.79 51.55 1qou n ASP 72 Cb 0.30 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 40.38 1qou n ASP 72 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qou s VAL 73 N -5.22 2.67 -1.07 2.53 -7.23 -1.26 -2.03 120.40 108.78 1qou s VAL 73 Ca 0.51 -0.83 0.28 0.00 -1.81 0.00 0.00 61.98 60.13 1qou s VAL 73 Cb 0.43 -2.06 0.20 0.00 0.56 0.00 0.00 36.38 35.51 1qou s VAL 73 CO -0.34 0.56 1.78 -0.81 -0.31 0.00 0.00 175.10 175.97 1qou n PRO 74 N 3.11 0.08 -3.61 4.82 -0.04 -1.26 -1.24 135.00 136.85 1qou n PRO 74 Ca -0.18 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 1qou n PRO 74 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1qou n PRO 74 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1qou s GLY 75 N -2.94 -0.36 0.45 0.55 0.00 -0.86 -1.74 107.32 102.42 1qou s GLY 75 Ca 0.15 0.45 0.23 0.00 0.00 0.00 0.00 44.72 45.55 1qou s GLY 75 CO 0.57 0.17 1.87 -0.56 0.00 0.00 0.00 173.10 175.15 1qou h PRO 76 N 2.85 0.00 -0.05 2.90 0.13 -1.74 -2.98 132.00 133.11 1qou h PRO 76 Ca -0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 1qou h PRO 76 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1qou h PRO 76 CO 0.42 0.24 -0.63 0.77 -0.23 0.00 0.00 178.00 178.57 1qou h SER 77 N 0.00 0.21 -2.12 1.44 0.02 -1.94 -3.38 113.55 107.78 1qou h SER 77 Ca -0.00 -0.13 -0.52 0.00 -0.84 0.00 0.00 61.79 60.30 1qou h SER 77 Cb 0.67 -0.06 -0.35 0.00 0.14 0.00 0.00 62.40 62.80 1qou h SER 77 CO 0.03 0.78 -0.92 -0.67 -1.14 0.00 0.00 176.83 174.92 1qou n ASP 78 N -3.84 -0.89 -3.57 3.07 2.03 -1.20 -5.05 116.55 107.10 1qou n ASP 78 Ca -0.02 -2.48 -0.41 0.00 0.52 0.00 0.00 54.79 52.40 1qou n ASP 78 Cb 0.63 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 1qou n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1qou n PRO 79 N 2.75 3.89 0.09 -0.67 -0.04 -1.13 -4.36 135.00 135.53 1qou n PRO 79 Ca 0.28 -3.06 0.12 0.00 -0.04 0.00 0.00 63.50 60.79 1qou n PRO 79 Cb 0.50 -2.84 0.45 0.00 -0.04 0.00 0.00 33.50 31.57 1qou n PRO 79 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1qou n TYR 80 N 3.33 0.69 -0.51 0.54 0.18 -1.14 -2.17 117.16 118.06 1qou n TYR 80 Ca 0.59 0.23 0.10 0.00 1.88 0.00 0.00 57.90 60.69 1qou n TYR 80 Cb 0.29 -0.87 0.32 0.00 -0.38 0.00 0.00 39.34 38.70 1qou n TYR 80 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qou n LEU 81 N -2.09 4.24 -4.76 -3.48 4.77 -0.38 -5.01 117.00 110.30 1qou n LEU 81 Ca 0.04 -2.29 -0.35 0.00 -0.03 0.00 0.00 56.01 53.39 1qou n LEU 81 Cb 0.33 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1qou n LEU 81 CO 0.25 0.85 0.79 0.00 -1.33 0.00 0.00 177.39 177.95 1qou s ARG 82 N -1.54 2.99 0.30 3.23 1.70 -0.92 -3.48 118.95 121.22 1qou s ARG 82 Ca 0.46 1.64 0.06 0.00 -0.47 0.00 0.00 55.73 57.42 1qou s ARG 82 Cb 0.28 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.69 1qou s ARG 82 CO 0.25 -1.15 0.41 -1.21 -1.08 0.00 0.00 175.30 172.53 1qou s GLU 83 N -3.55 3.22 -0.27 3.89 2.02 -0.30 -4.44 118.70 119.26 1qou s GLU 83 Ca 0.73 -0.93 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 1qou s GLU 83 Cb -0.25 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1qou s GLU 83 CO 0.34 0.21 0.13 -1.58 0.02 0.00 0.00 175.26 174.38 1qou s HIS 84 N -2.10 3.15 -0.05 1.61 5.65 -0.37 -0.82 115.29 122.35 1qou s HIS 84 Ca 0.40 -0.29 -0.25 0.00 0.25 0.00 0.00 55.06 55.18 1qou s HIS 84 Cb -0.09 -2.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.96 1qou s HIS 84 CO 0.30 -0.32 0.76 -1.17 -0.65 0.00 0.00 174.74 173.66 1qou s LEU 85 N 1.66 4.33 -0.09 8.88 2.96 -0.83 -1.39 118.68 134.20 1qou s LEU 85 Ca 0.06 1.29 0.15 0.00 -0.22 0.00 0.00 54.13 55.41 1qou s LEU 85 Cb -0.16 -3.18 -0.22 0.00 0.50 0.00 0.00 46.19 43.13 1qou s LEU 85 CO 0.07 -0.14 0.20 1.41 -1.32 0.00 0.00 176.35 176.56 1qou n HIS 86 N 3.76 0.00 -3.63 5.38 8.25 -0.29 -4.85 115.22 123.84 1qou n HIS 86 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1qou n HIS 86 Cb 0.51 -0.58 -0.07 0.00 1.12 0.00 0.00 29.99 30.98 1qou n HIS 86 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1qou s TRP 87 N -2.73 -0.49 -0.07 4.41 -0.00 -1.13 -1.51 118.94 117.43 1qou s TRP 87 Ca -0.07 1.17 -0.03 0.00 -0.00 0.00 0.00 56.10 57.17 1qou s TRP 87 Cb 0.07 0.36 0.04 0.00 -0.00 0.00 0.00 33.47 33.95 1qou s TRP 87 CO 0.65 -0.26 0.13 0.42 -0.00 0.00 0.00 176.95 177.89 1qou s ILE 88 N 0.07 -0.17 -0.09 5.86 1.01 -0.80 -1.58 121.20 125.50 1qou s ILE 88 Ca 0.02 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1qou s ILE 88 Cb -0.04 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.19 1qou s ILE 88 CO -0.04 0.13 -0.19 -0.69 0.00 0.00 0.00 174.94 174.15 1qou s VAL 89 N 1.92 1.66 0.38 2.92 1.01 -0.78 -0.85 120.40 126.66 1qou s VAL 89 Ca -0.00 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1qou s VAL 89 Cb -0.12 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1qou s VAL 89 CO -0.05 0.47 0.07 0.28 0.00 0.00 0.00 175.10 175.87 1qou s THR 90 N 0.52 2.41 -1.37 3.92 -1.32 -0.04 -1.07 115.64 118.68 1qou s THR 90 Ca -0.16 -1.89 -0.07 0.00 -1.21 0.00 0.00 61.69 58.35 1qou s THR 90 Cb -0.17 -2.90 0.03 0.00 -1.51 0.00 0.00 72.50 67.95 1qou s THR 90 CO 0.06 -0.10 1.04 0.47 -2.21 0.00 0.00 174.62 173.88 1qou n ASP 91 N -1.05 -4.51 -4.65 8.08 8.00 -1.15 -0.78 116.55 120.49 1qou n ASP 91 Ca -0.03 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 1qou n ASP 91 Cb 0.64 -4.62 -0.04 0.00 -0.02 0.00 0.00 41.12 37.08 1qou n ASP 91 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qou s ILE 92 N -3.37 4.83 0.36 0.53 1.01 -0.57 -4.45 121.20 119.55 1qou s ILE 92 Ca 0.43 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.43 1qou s ILE 92 Cb -0.20 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1qou s ILE 92 CO 0.77 -0.05 1.28 -2.84 0.00 0.00 0.00 174.94 174.10 1qou s PRO 93 N 2.68 4.21 0.54 2.79 0.02 -1.26 -0.93 135.00 143.03 1qou s PRO 93 Ca 0.37 2.15 -0.20 0.00 0.02 0.00 0.00 61.00 63.33 1qou s PRO 93 Cb -0.16 -2.93 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 1qou s PRO 93 CO 0.09 -0.29 0.90 0.41 -0.33 0.00 0.00 177.00 177.77 1qou n GLY 94 N 0.75 -0.50 2.96 0.52 0.00 -0.63 -2.32 105.19 105.97 1qou n GLY 94 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1qou n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qou n THR 94 N -1.31 0.00 0.00 2.61 -2.24 -0.92 -3.62 114.28 108.81 1qou n THR 94 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1qou n THR 94 Cb 0.45 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1qou n THR 94 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qou n THR 95 N -2.19 0.00 -3.83 4.28 -2.24 -0.98 -4.88 114.28 104.44 1qou n THR 95 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1qou n THR 95 Cb 0.30 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1qou n THR 95 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1qou s ASP 96 N 0.12 -0.28 0.58 3.42 1.47 -1.26 -1.94 116.67 118.78 1qou s ASP 96 Ca 0.00 -0.58 0.28 0.00 1.18 0.00 0.00 52.55 53.43 1qou s ASP 96 Cb 0.00 0.71 1.54 0.00 -0.34 0.00 0.00 42.92 44.83 1qou s ASP 96 CO 0.00 -1.31 2.01 0.77 0.68 0.00 0.00 175.17 177.32 1qou h SER 97 N 2.01 0.00 0.16 2.11 4.64 -1.40 -1.64 113.55 119.44 1qou h SER 97 Ca -0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1qou h SER 97 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1qou h SER 97 CO 0.25 0.00 -0.06 0.77 -0.87 0.00 0.00 176.83 176.92 1qou h SER 98 N 0.00 0.00 0.16 4.97 4.64 -1.93 -2.59 113.55 118.80 1qou h SER 98 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1qou h SER 98 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1qou h SER 98 CO -0.00 0.06 -0.10 0.49 -0.87 0.00 0.00 176.83 176.40 1qou n PHE 99 N -3.76 0.00 -2.16 4.77 3.72 -0.61 -4.90 117.46 114.51 1qou n PHE 99 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1qou n PHE 99 Cb 0.15 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1qou n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qou n GLY 100 N 1.23 1.07 3.38 1.37 0.00 -0.98 -4.80 105.19 106.46 1qou n GLY 100 Ca 0.16 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1qou n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qou s LYS 101 N -1.13 3.42 -0.15 1.61 3.01 0.04 -4.93 119.74 121.61 1qou s LYS 101 Ca 0.00 -0.66 -0.29 0.00 -1.01 0.00 0.00 55.97 54.01 1qou s LYS 101 Cb 0.00 -2.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.08 1qou s LYS 101 CO 0.00 0.17 1.62 -2.00 0.51 0.00 0.00 175.35 175.65 1qou s GLU 102 N 0.47 3.97 -0.27 1.68 2.12 -1.26 -0.86 118.70 124.55 1qou s GLU 102 Ca -0.08 1.89 -0.14 0.00 0.36 0.00 0.00 54.97 56.99 1qou s GLU 102 Cb -0.15 -4.00 -0.14 0.00 0.26 0.00 0.00 34.13 30.10 1qou s GLU 102 CO 0.04 -1.08 -0.26 0.28 -0.54 0.00 0.00 175.26 173.70 1qou n VAL 103 N 5.98 1.53 -4.16 3.70 0.31 -0.03 -4.90 118.33 120.76 1qou n VAL 103 Ca 0.18 -0.36 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 1qou n VAL 103 Cb 0.44 -1.87 -0.16 0.00 -0.91 0.00 0.00 33.84 31.34 1qou n VAL 103 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1qou s VAL 104 N -2.49 1.68 0.51 2.52 1.01 -0.88 -4.96 120.40 117.79 1qou s VAL 104 Ca -0.37 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 1qou s VAL 104 Cb 0.13 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 1qou s VAL 104 CO 0.52 0.48 1.26 -0.94 0.00 0.00 0.00 175.10 176.41 1qou s SER 105 N 1.32 5.69 0.27 3.32 1.04 -1.26 -1.91 113.70 122.16 1qou s SER 105 Ca 0.02 2.53 -0.31 0.00 0.48 0.00 0.00 55.95 58.68 1qou s SER 105 Cb -0.13 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.25 1qou s SER 105 CO -0.09 -1.26 1.63 0.00 0.98 0.00 0.00 173.24 174.49 1qou n TYR 106 N -0.80 2.80 -5.04 5.02 9.36 -1.26 -4.49 117.16 122.75 1qou n TYR 106 Ca 0.09 0.20 -0.32 0.00 3.32 0.00 0.00 57.90 61.19 1qou n TYR 106 Cb 0.47 -2.61 -0.17 0.00 -0.63 0.00 0.00 39.34 36.40 1qou n TYR 106 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1qou s GLU 107 N -0.04 3.08 0.44 2.98 2.12 -0.57 -5.02 118.70 121.69 1qou s GLU 107 Ca 0.67 -0.85 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 1qou s GLU 107 Cb -0.51 -2.37 -0.08 0.00 0.26 0.00 0.00 34.13 31.43 1qou s GLU 107 CO 0.44 0.14 1.13 0.00 -0.54 0.00 0.00 175.26 176.43 1qou s MET 108 N 0.45 3.89 0.28 4.30 0.23 -1.26 -4.90 119.30 122.29 1qou s MET 108 Ca -0.15 1.68 -0.30 0.00 -1.03 0.00 0.00 55.69 55.89 1qou s MET 108 Cb -0.17 -2.44 -0.12 0.00 -1.53 0.00 0.00 34.83 30.57 1qou s MET 108 CO 0.06 -0.42 1.64 -2.30 -2.03 0.00 0.00 175.02 171.97 1qou n PRO 109 N -0.37 2.76 -2.92 3.16 -0.02 -1.26 -4.95 135.00 131.40 1qou n PRO 109 Ca 0.07 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.39 1qou n PRO 109 Cb 0.49 -2.79 0.01 0.00 -0.02 0.00 0.00 33.50 31.18 1qou n PRO 109 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1qou n ARG 110 N 2.60 0.78 -1.93 -0.52 3.00 -1.26 -4.92 116.66 114.41 1qou n ARG 110 Ca 0.10 -2.33 -0.42 0.00 -0.00 0.00 0.00 57.85 55.20 1qou n ARG 110 Cb 0.37 -1.36 -0.02 0.00 0.00 0.00 0.00 32.46 31.44 1qou n ARG 110 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1qou s PRO 111 N -0.12 4.22 0.00 -0.14 0.04 -1.26 -5.00 135.00 132.74 1qou s PRO 111 Ca 0.33 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1qou s PRO 111 Cb 0.22 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1qou s PRO 111 CO -0.18 -0.53 0.03 -1.71 0.04 0.00 0.00 177.00 174.65 1qou n ASN 112 N 2.84 0.00 -4.58 6.66 2.85 -1.26 -4.21 115.26 117.56 1qou n ASN 112 Ca 0.09 0.32 -0.34 0.00 -0.11 0.00 0.00 54.58 54.54 1qou n ASN 112 Cb 0.39 -0.30 -0.11 0.00 1.24 0.00 0.00 39.78 41.01 1qou n ASN 112 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1qou s ILE 115 N -0.65 4.46 0.00 -1.44 1.01 -0.71 -4.79 121.20 119.09 1qou s ILE 115 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1qou s ILE 115 Cb 0.00 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1qou s ILE 115 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1qou n GLY 116 N 3.56 0.15 3.69 6.18 0.00 -1.26 -4.28 105.19 113.24 1qou n GLY 116 Ca -0.17 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1qou n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qou s ILE 117 N 0.00 5.28 0.07 -0.61 1.01 -1.26 -4.47 121.20 121.21 1qou s ILE 117 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1qou s ILE 117 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1qou s ILE 117 CO 0.00 0.33 -0.12 -1.00 0.00 0.00 0.00 174.94 174.15 1qou s HIS 118 N 0.88 2.70 -0.10 3.97 3.76 -0.60 -4.58 115.29 121.32 1qou s HIS 118 Ca 0.15 -0.17 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 1qou s HIS 118 Cb -0.14 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 1qou s HIS 118 CO 0.05 0.36 0.65 1.03 -0.85 0.00 0.00 174.74 175.98 1qou s ARG 119 N -1.81 4.37 -0.39 1.40 0.52 -1.26 -1.18 118.95 120.60 1qou s ARG 119 Ca 0.18 0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 56.07 1qou s ARG 119 Cb -0.11 -3.47 0.07 0.00 0.52 0.00 0.00 34.95 31.96 1qou s ARG 119 CO 0.10 0.01 0.21 -0.06 0.02 0.00 0.00 175.30 175.57 1qou s PHE 120 N 1.02 3.34 -0.12 -0.53 0.40 -0.37 -4.20 117.98 117.52 1qou s PHE 120 Ca 0.34 -1.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.01 1qou s PHE 120 Cb -0.17 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 1qou s PHE 120 CO 0.15 -0.83 0.03 0.08 0.70 0.00 0.00 175.22 175.35 1qou s VAL 121 N 1.38 4.52 -0.17 -0.44 1.01 -0.57 -2.27 120.40 123.86 1qou s VAL 121 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1qou s VAL 121 Cb -0.22 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1qou s VAL 121 CO 0.01 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.15 1qou s PHE 122 N -0.42 2.80 -0.01 5.22 0.40 -0.05 -1.22 117.98 124.69 1qou s PHE 122 Ca 0.09 -1.26 0.06 0.00 -0.60 0.00 0.00 56.93 55.22 1qou s PHE 122 Cb -0.12 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1qou s PHE 122 CO 0.02 -0.61 -0.20 -0.51 0.70 0.00 0.00 175.22 174.62 1qou s LEU 123 N 1.08 2.04 -0.08 -0.37 1.02 -0.18 -1.61 118.68 120.58 1qou s LEU 123 Ca -0.00 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.81 1qou s LEU 123 Cb -0.14 -1.02 -0.02 0.00 0.02 0.00 0.00 46.19 45.03 1qou s LEU 123 CO -0.05 0.24 -0.18 -0.22 0.02 0.00 0.00 176.35 176.16 1qou s LEU 124 N -0.50 2.46 0.05 1.79 2.96 -0.60 -1.38 118.68 123.46 1qou s LEU 124 Ca 0.08 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1qou s LEU 124 Cb -0.08 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1qou s LEU 124 CO -0.01 0.24 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.73 1qou s PHE 125 N -0.13 1.54 -0.11 5.38 0.40 -0.31 -0.84 117.98 123.92 1qou s PHE 125 Ca -0.03 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.72 1qou s PHE 125 Cb -0.14 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 1qou s PHE 125 CO 0.04 0.08 0.62 0.21 0.70 0.00 0.00 175.22 176.86 1qou s LYS 126 N -1.26 4.37 0.50 0.44 2.20 -1.26 -1.35 119.74 123.37 1qou s LYS 126 Ca 0.05 0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 56.17 1qou s LYS 126 Cb -0.09 -3.47 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 1qou s LYS 126 CO 0.02 0.04 0.99 -0.65 -0.36 0.00 0.00 175.35 175.38 1qou s GLN 127 N 0.95 3.96 -0.27 4.03 -0.21 -0.55 -4.75 119.66 122.82 1qou s GLN 127 Ca 0.32 1.05 -0.09 0.00 0.02 0.00 0.00 55.36 56.66 1qou s GLN 127 Cb -0.17 -2.14 -0.14 0.00 1.00 0.00 0.00 33.01 31.57 1qou s GLN 127 CO 0.14 -0.26 -0.29 1.63 -2.12 0.00 0.00 175.29 174.39 1qou n LYS 128 N -1.31 0.61 -4.35 2.91 5.02 -1.26 -4.75 118.16 115.03 1qou n LYS 128 Ca 0.07 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.41 1qou n LYS 128 Cb 0.54 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1qou n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qou s LYS 129 N -2.51 1.33 -0.18 1.97 1.02 -1.26 -5.09 119.74 115.02 1qou s LYS 129 Ca -0.37 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 53.75 1qou s LYS 129 Cb 0.13 -1.17 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 1qou s LYS 129 CO 0.53 0.20 1.15 1.03 -0.92 0.00 0.00 175.35 177.34 1qou s ARG 129 N -3.53 4.26 0.00 1.68 3.00 -1.26 -5.05 118.95 118.06 1qou s ARG 129 Ca 0.22 1.51 0.00 0.00 0.00 0.00 0.00 55.73 57.46 1qou s ARG 129 Cb -0.02 -3.68 0.00 0.00 0.00 0.00 0.00 34.95 31.25 1qou s ARG 129 CO 0.07 -0.63 0.00 1.33 0.00 0.00 0.00 175.30 176.07 1qou n VAL 143 N 5.24 0.00 -0.46 3.52 0.24 -1.26 -5.10 118.33 120.51 1qou n VAL 143 Ca 0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.22 1qou n VAL 143 Cb 0.46 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.79 1qou n VAL 143 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qou n VAL 144 N 9.00 0.00 -2.66 3.34 0.31 -1.26 -4.88 118.33 122.18 1qou n VAL 144 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1qou n VAL 144 Cb 0.00 -0.16 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 1qou n VAL 144 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qou h ARG 146 N 3.57 0.00 -6.14 0.00 3.08 -1.89 -3.41 114.38 109.59 1qou h ARG 146 Ca -0.46 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.03 1qou h ARG 146 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1qou h ARG 146 CO 0.66 0.12 0.09 -0.51 -1.07 0.00 0.00 179.97 179.26 1qou s ASP 147 N -5.92 7.06 -0.83 7.04 1.01 -1.26 -1.96 116.67 121.81 1qou s ASP 147 Ca 0.03 1.27 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1qou s ASP 147 Cb 0.07 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1qou s ASP 147 CO 0.74 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.70 1qou n GLY 148 N 2.73 0.38 3.76 0.21 0.00 -0.88 -4.97 105.19 106.42 1qou n GLY 148 Ca -0.03 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1qou n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qou s PHE 149 N -2.41 2.52 -0.23 1.61 5.36 -0.00 -4.44 117.98 120.39 1qou s PHE 149 Ca 0.00 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 57.50 1qou s PHE 149 Cb 0.00 -3.30 0.07 0.00 -0.34 0.00 0.00 43.02 39.45 1qou s PHE 149 CO 0.00 -1.86 0.04 1.21 -1.46 0.00 0.00 175.22 173.16 1qou s ASN 150 N -2.07 3.28 0.18 6.13 3.84 -1.26 -1.15 114.94 123.89 1qou s ASN 150 Ca 0.72 -1.06 -0.12 0.00 0.21 0.00 0.00 52.86 52.61 1qou s ASN 150 Cb -0.24 -0.70 0.09 0.00 -0.55 0.00 0.00 41.25 39.85 1qou s ASN 150 CO 0.36 -0.33 1.78 0.74 -2.79 0.00 0.00 177.10 176.86 1qou h THR 151 N 6.52 1.21 -0.41 -5.21 2.02 -1.96 -2.20 112.91 112.88 1qou h THR 151 Ca -0.16 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.54 1qou h THR 151 Cb 1.09 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1qou h THR 151 CO 0.38 0.23 0.03 0.03 0.37 0.00 0.00 175.52 176.56 1qou h ARG 152 N 0.85 0.14 -0.15 6.66 3.08 -1.97 -1.26 114.38 121.73 1qou h ARG 152 Ca 0.22 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1qou h ARG 152 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1qou h ARG 152 CO -0.03 0.09 0.03 0.87 -1.07 0.00 0.00 179.97 179.86 1qou h LYS 153 N 0.15 0.24 -0.61 0.04 1.57 -1.91 -1.99 116.57 114.06 1qou h LYS 153 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1qou h LYS 153 Cb 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1qou h LYS 153 CO -0.31 0.41 0.33 0.35 -0.57 0.00 0.00 179.45 179.67 1qou h PHE 154 N 0.04 0.84 -0.41 -1.35 3.04 -1.31 0.00 116.94 117.78 1qou h PHE 154 Ca 0.05 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 1qou h PHE 154 Cb 0.28 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1qou h PHE 154 CO 0.01 0.61 -0.17 1.79 -2.02 0.00 0.00 178.31 178.53 1qou h THR 155 N 0.83 1.27 -0.20 4.41 1.35 -1.20 -2.37 112.91 116.99 1qou h THR 155 Ca 0.21 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.80 1qou h THR 155 Cb 0.05 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1qou h THR 155 CO -0.03 0.43 0.07 -0.61 -0.25 0.00 0.00 175.52 175.12 1qou h GLN 156 N 0.69 0.30 -0.17 4.72 -0.00 -1.12 0.59 115.11 120.12 1qou h GLN 156 Ca 0.11 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.65 1qou h GLN 156 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1qou h GLN 156 CO 0.05 0.39 -0.08 0.93 0.00 0.00 0.00 178.83 180.12 1qou h GLU 157 N 0.15 0.26 -0.61 1.69 3.07 -0.90 -2.72 114.58 115.53 1qou h GLU 157 Ca 0.06 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1qou h GLU 157 Cb 0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1qou h GLU 157 CO -0.00 0.36 0.00 0.09 -1.40 0.00 0.00 179.01 178.06 1qou n ASN 158 N -4.31 4.26 -3.93 1.42 3.02 -0.90 -4.99 115.26 109.84 1qou n ASN 158 Ca -0.00 -2.31 -0.31 0.00 -0.03 0.00 0.00 54.58 51.93 1qou n ASN 158 Cb 0.24 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1qou n ASN 158 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1qou n GLU 159 N 1.07 -2.00 0.00 3.52 0.28 -0.49 -4.88 120.64 118.15 1qou n GLU 159 Ca 0.23 0.34 0.12 0.00 -0.16 0.00 0.00 57.16 57.69 1qou n GLU 159 Cb 0.76 -4.02 0.20 0.00 1.43 0.00 0.00 31.44 29.81 1qou n GLU 159 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1qou n LEU 160 N -4.46 1.77 0.00 -1.84 4.77 0.08 -4.54 117.00 112.78 1qou n LEU 160 Ca -0.22 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1qou n LEU 160 Cb 0.64 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1qou n LEU 160 CO 0.74 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1qou n GLY 161 N 1.36 0.30 3.88 -0.72 0.00 -1.26 -4.23 105.19 104.52 1qou n GLY 161 Ca 0.12 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1qou n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qou s LEU 162 N 0.00 3.77 0.69 0.99 1.43 -1.26 -4.85 118.68 119.45 1qou s LEU 162 Ca 0.00 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.02 1qou s LEU 162 Cb 0.00 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.23 1qou s LEU 162 CO 0.00 -0.45 1.03 -2.65 0.23 0.00 0.00 176.35 174.51 1qou n PRO 163 N -1.54 0.67 -0.00 1.29 -0.02 -1.26 -4.67 135.00 129.46 1qou n PRO 163 Ca 0.02 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.87 1qou n PRO 163 Cb 0.54 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 1qou n PRO 163 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qou n VAL 164 N -2.31 0.00 -3.51 -1.45 0.24 -0.02 -4.72 118.33 106.57 1qou n VAL 164 Ca 0.14 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1qou n VAL 164 Cb 0.49 0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 1qou n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qou s ALA 165 N -2.77 -1.81 0.01 2.33 0.00 -1.24 -1.78 121.76 116.51 1qou s ALA 165 Ca 0.04 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1qou s ALA 165 Cb 0.13 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1qou s ALA 165 CO 0.72 -0.60 0.70 0.00 0.00 0.00 0.00 175.76 176.57 1qou s ALA 166 N -2.68 -1.73 0.03 0.00 0.00 -1.26 -1.55 121.76 114.57 1qou s ALA 166 Ca 0.02 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 1qou s ALA 166 Cb -0.01 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1qou s ALA 166 CO -0.06 -0.52 0.40 0.54 0.00 0.00 0.00 175.76 176.12 1qou s VAL 167 N -2.15 0.06 0.04 0.00 0.11 -0.64 -5.01 120.40 112.80 1qou s VAL 167 Ca -0.05 -0.47 -0.08 0.00 -2.93 0.00 0.00 61.98 58.45 1qou s VAL 167 Cb -0.00 -0.92 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1qou s VAL 167 CO 0.00 -0.26 0.16 0.72 -3.33 0.00 0.00 175.10 172.40 1qou s PHE 168 N -2.32 0.10 0.21 1.54 -0.71 -1.26 -0.87 117.98 114.67 1qou s PHE 168 Ca -0.06 -0.33 0.10 0.00 -1.04 0.00 0.00 56.93 55.59 1qou s PHE 168 Cb -0.01 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 1qou s PHE 168 CO -0.01 -0.40 -0.19 -0.59 -1.34 0.00 0.00 175.22 172.69 1qou s PHE 169 N -2.52 2.00 0.04 3.49 -0.71 -0.96 -2.19 117.98 117.13 1qou s PHE 169 Ca -0.05 -0.44 -0.08 0.00 -1.04 0.00 0.00 56.93 55.32 1qou s PHE 169 Cb -0.01 -0.94 -0.05 0.00 -1.21 0.00 0.00 43.02 40.81 1qou s PHE 169 CO -0.04 0.48 0.32 -0.80 -1.34 0.00 0.00 175.22 173.84 1qou s ASN 170 N -3.08 6.55 -0.16 1.98 0.01 -0.53 -1.23 114.94 118.46 1qou s ASN 170 Ca 0.22 0.64 -0.15 0.00 -0.71 0.00 0.00 52.86 52.87 1qou s ASN 170 Cb -0.05 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.54 1qou s ASN 170 CO 0.10 0.22 0.43 0.00 -1.51 0.00 0.00 177.10 176.34 1qou s GLN 172 N 0.32 1.37 0.50 0.00 -2.07 -1.26 -1.55 119.66 116.97 1qou s GLN 172 Ca -0.01 -1.71 -0.23 0.00 -1.82 0.00 0.00 55.36 51.60 1qou s GLN 172 Cb -0.03 -0.56 -0.06 0.00 -1.09 0.00 0.00 33.01 31.26 1qou s GLN 172 CO -0.00 -0.14 1.29 -0.98 -1.32 0.00 0.00 175.29 174.13 1qou s ARG 173 N -3.90 3.45 0.00 9.60 1.70 -1.26 -4.54 118.95 123.99 1qou s ARG 173 Ca 0.31 2.07 0.19 0.00 -0.47 0.00 0.00 55.73 57.83 1qou s ARG 173 Cb 0.06 -2.36 1.15 0.00 -0.57 0.00 0.00 34.95 33.23 1qou s ARG 173 CO 0.10 -0.89 1.54 -0.85 -1.08 0.00 0.00 175.30 174.12