#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qou h ARG 10 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -2.34 114.38 111.67 1qou h ARG 10 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.94 1qou h ARG 10 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1qou h ARG 10 CO 0.00 0.29 -0.59 0.28 -0.00 0.00 0.00 179.97 179.95 1qou h VAL 11 N 0.00 0.22 -0.04 0.08 2.07 -2.05 -3.39 116.25 113.15 1qou h VAL 11 Ca -0.00 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1qou h VAL 11 Cb 0.52 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1qou h VAL 11 CO 0.04 0.13 -0.37 2.30 0.02 0.00 0.00 177.57 179.68 1qou n ILE 12 N -2.96 2.20 0.29 4.57 -5.35 -0.91 -4.73 119.36 112.46 1qou n ILE 12 Ca 0.01 -3.03 0.09 0.00 -0.27 0.00 0.00 62.75 59.55 1qou n ILE 12 Cb 0.61 -0.25 0.43 0.00 -1.74 0.00 0.00 39.64 38.69 1qou n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qou n GLY 13 N -1.16 -1.00 0.09 3.28 0.00 -1.07 -1.12 105.19 104.21 1qou n GLY 13 Ca 0.20 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1qou n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qou n ASP 14 N -2.03 0.71 -0.12 1.61 5.75 -1.26 -4.13 116.55 117.08 1qou n ASP 14 Ca 0.01 0.48 -0.23 0.00 -0.01 0.00 0.00 54.79 55.04 1qou n ASP 14 Cb 0.13 -0.59 -0.11 0.00 -1.03 0.00 0.00 41.12 39.51 1qou n ASP 14 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1qou n VAL 15 N -2.15 1.53 -4.03 2.12 0.31 -0.28 -5.05 118.33 110.79 1qou n VAL 15 Ca 0.05 -0.48 -0.08 0.00 -0.01 0.00 0.00 64.34 63.82 1qou n VAL 15 Cb 0.42 -1.64 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.51 0.18 0.81 2.52 -7.23 -0.99 -4.21 120.40 108.96 1qou s VAL 16 Ca -0.35 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 1qou s VAL 16 Cb 0.11 -1.10 0.08 0.00 0.56 0.00 0.00 36.38 36.03 1qou s VAL 16 CO 0.57 -0.80 1.09 -1.81 -0.31 0.00 0.00 175.10 173.84 1qou s ASP 17 N -2.43 4.20 0.50 4.85 1.01 -1.26 -4.21 116.67 119.32 1qou s ASP 17 Ca -0.01 1.77 -0.23 0.00 0.71 0.00 0.00 52.55 54.79 1qou s ASP 17 Cb 0.02 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1qou s ASP 17 CO -0.07 -2.22 1.34 -1.00 0.21 0.00 0.00 175.17 173.43 1qou s HIS 18 N -2.90 2.47 0.20 4.23 3.76 -1.26 -4.90 115.29 116.89 1qou s HIS 18 Ca 0.62 1.38 -0.06 0.00 -0.15 0.00 0.00 55.06 56.84 1qou s HIS 18 Cb -0.18 -3.75 -0.02 0.00 1.11 0.00 0.00 32.58 29.74 1qou s HIS 18 CO 0.56 -2.62 0.26 -0.59 -0.85 0.00 0.00 174.74 171.51 1qou s PHE 19 N -1.31 0.73 -0.22 1.40 -0.12 -1.26 -5.02 117.98 112.18 1qou s PHE 19 Ca 0.66 -1.03 -0.03 0.00 -0.05 0.00 0.00 56.93 56.48 1qou s PHE 19 Cb -0.39 -0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 41.78 1qou s PHE 19 CO 0.48 -0.75 -0.06 0.95 -0.05 0.00 0.00 175.22 175.78 1qou s THR 20 N -4.06 3.19 0.09 -4.49 -4.23 -1.26 -4.97 115.64 99.91 1qou s THR 20 Ca 0.28 -0.57 -0.32 0.00 -1.18 0.00 0.00 61.69 59.90 1qou s THR 20 Cb 0.04 -2.45 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 1qou s THR 20 CO 0.08 0.43 1.84 -1.20 -0.54 0.00 0.00 174.62 175.22 1qou n SER 21 N 4.77 3.93 -0.07 3.99 7.64 -1.26 -4.84 113.62 127.78 1qou n SER 21 Ca -0.18 0.98 0.03 0.00 1.01 0.00 0.00 58.87 60.71 1qou n SER 21 Cb 0.51 -1.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.17 1qou n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qou n THR 22 N 4.76 0.00 -4.14 0.44 -2.24 -0.68 -5.02 114.28 107.39 1qou n THR 22 Ca 0.19 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1qou n THR 22 Cb 0.36 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.41 0.53 0.04 2.28 1.01 -1.12 -4.89 120.40 116.85 1qou s VAL 23 Ca 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1qou s VAL 23 Cb 0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1qou s VAL 23 CO 0.24 -0.10 0.33 -0.54 0.00 0.00 0.00 175.10 175.03 1qou s LYS 24 N -0.82 3.66 0.04 2.72 1.02 -1.26 -4.55 119.74 120.55 1qou s LYS 24 Ca -0.03 0.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1qou s LYS 24 Cb -0.06 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1qou s LYS 24 CO 0.00 0.61 0.25 0.00 -0.92 0.00 0.00 175.35 175.29 1qou s MET 25 N -1.83 0.75 0.03 1.68 0.23 -1.26 -1.64 119.30 117.25 1qou s MET 25 Ca 0.30 -0.54 0.05 0.00 -1.03 0.00 0.00 55.69 54.47 1qou s MET 25 Cb -0.14 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1qou s MET 25 CO 0.17 -0.23 -0.15 -1.12 -2.03 0.00 0.00 175.02 171.67 1qou s SER 26 N -2.03 1.76 -0.26 -1.18 0.01 -0.89 -4.98 113.70 106.14 1qou s SER 26 Ca -0.06 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 1qou s SER 26 Cb -0.01 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1qou s SER 26 CO -0.03 0.08 -0.05 -0.69 0.41 0.00 0.00 173.24 172.96 1qou s VAL 27 N -0.73 2.87 -0.20 3.43 1.01 -1.26 -1.43 120.40 124.10 1qou s VAL 27 Ca 0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 1qou s VAL 27 Cb -0.07 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1qou s VAL 27 CO 0.01 0.10 -0.00 -0.63 0.00 0.00 0.00 175.10 174.57 1qou s ILE 28 N 1.29 3.94 0.27 2.22 -1.09 -0.17 -1.24 121.20 126.42 1qou s ILE 28 Ca -0.02 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 1qou s ILE 28 Cb -0.18 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1qou s ILE 28 CO -0.03 0.43 0.25 -0.31 -1.23 0.00 0.00 174.94 174.05 1qou s TYR 29 N 0.94 3.10 -0.09 3.97 2.02 0.15 -0.97 117.35 126.47 1qou s TYR 29 Ca 0.01 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1qou s TYR 29 Cb -0.14 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1qou s TYR 29 CO 0.02 0.41 -0.05 -0.80 -1.57 0.00 0.00 175.55 173.56 1qou s ASN 30 N -3.91 4.79 -1.07 2.29 0.01 -1.26 -1.87 114.94 113.93 1qou s ASN 30 Ca 0.35 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1qou s ASN 30 Cb -0.08 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.22 1qou s ASN 30 CO 0.26 0.33 0.00 -1.54 -1.51 0.00 0.00 177.10 174.64 1qou n SER 32 N 2.47 -2.97 -4.89 -1.22 3.41 -1.26 -4.76 113.62 104.41 1qou n SER 32 Ca -0.18 0.26 -0.32 0.00 -0.26 0.00 0.00 58.87 58.37 1qou n SER 32 Cb 0.53 -2.78 -0.05 0.00 -0.26 0.00 0.00 64.21 61.65 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 -2.06 5.14 -0.03 -1.33 -4.36 -1.26 -5.08 121.20 112.22 1qou s ILE 32 Ca 0.00 0.13 0.02 0.00 -0.26 0.00 0.00 60.65 60.53 1qou s ILE 32 Cb 0.00 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 40.10 1qou s ILE 32 CO 0.00 0.07 -0.06 -0.54 0.24 0.00 0.00 174.94 174.65 1qou s LYS 33 N -2.55 0.73 -0.06 0.37 -0.14 -0.78 -5.00 119.74 112.32 1qou s LYS 33 Ca 0.40 -0.18 -0.02 0.00 -1.36 0.00 0.00 55.97 54.82 1qou s LYS 33 Cb -0.12 -0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 35.27 1qou s LYS 33 CO 0.23 0.03 0.03 -1.58 -0.76 0.00 0.00 175.35 173.30 1qou s HIS 34 N 0.41 3.22 -0.09 3.18 5.65 -1.26 0.30 115.29 126.71 1qou s HIS 34 Ca -0.05 0.22 -0.26 0.00 0.25 0.00 0.00 55.06 55.21 1qou s HIS 34 Cb -0.09 -1.77 -0.03 0.00 -1.18 0.00 0.00 32.58 29.51 1qou s HIS 34 CO 0.00 0.52 0.83 0.08 -0.65 0.00 0.00 174.74 175.52 1qou s VAL 35 N -1.00 4.93 -0.14 0.89 1.01 -0.38 -4.97 120.40 120.75 1qou s VAL 35 Ca 0.16 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.81 1qou s VAL 35 Cb -0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1qou s VAL 35 CO 0.06 0.14 -0.05 -0.31 0.00 0.00 0.00 175.10 174.94 1qou s TYR 36 N 1.36 2.99 0.17 5.22 2.02 -1.26 -4.69 117.35 123.16 1qou s TYR 36 Ca 0.42 -0.31 -0.34 0.00 -0.37 0.00 0.00 57.07 56.48 1qou s TYR 36 Cb -0.18 -1.92 -0.14 0.00 -0.40 0.00 0.00 41.96 39.32 1qou s TYR 36 CO 0.19 -0.02 1.46 0.09 -1.57 0.00 0.00 175.55 175.70 1qou n ASN 37 N 3.38 2.61 0.00 2.29 3.02 -1.26 -2.24 115.26 123.06 1qou n ASN 37 Ca -0.18 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1qou n ASN 37 Cb 0.53 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 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 2.84 2.28 3.86 7.41 0.00 -0.87 -5.00 105.19 115.70 1qou n GLY 38 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.97 3.50 -0.07 1.61 3.76 -0.95 -4.61 115.29 115.55 1qou s HIS 39 Ca 0.00 1.30 -0.12 0.00 -0.15 0.00 0.00 55.06 56.09 1qou s HIS 39 Cb 0.00 -2.68 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 1qou s HIS 39 CO 0.00 -0.39 0.30 -2.00 -0.85 0.00 0.00 174.74 171.80 1qou s GLU 40 N -4.33 3.83 0.05 1.40 2.12 -1.26 -1.31 118.70 119.20 1qou s GLU 40 Ca 0.56 0.17 0.09 0.00 0.36 0.00 0.00 54.97 56.15 1qou s GLU 40 Cb -0.10 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1qou s GLU 40 CO 0.37 0.63 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.97 1qou s LEU 41 N -0.74 2.17 0.48 2.70 1.43 -0.65 -4.93 118.68 119.15 1qou s LEU 41 Ca 0.19 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1qou s LEU 41 Cb -0.14 -1.15 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 1qou s LEU 41 CO 0.08 0.21 0.96 -0.36 0.23 0.00 0.00 176.35 177.47 1qou s PHE 42 N -0.82 3.42 0.40 0.29 0.08 -1.26 -4.46 117.98 115.65 1qou s PHE 42 Ca 0.10 1.46 0.13 0.00 0.12 0.00 0.00 56.93 58.73 1qou s PHE 42 Cb -0.09 -2.77 0.96 0.00 -0.57 0.00 0.00 43.02 40.54 1qou s PHE 42 CO 0.02 -0.29 1.92 -1.35 -0.10 0.00 0.00 175.22 175.43 1qou h PRO 43 N 1.17 0.51 0.00 0.24 0.11 -1.91 -1.56 132.00 130.55 1qou h PRO 43 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1qou h PRO 43 Cb 1.18 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qou h PRO 43 CO 0.62 0.33 -0.12 0.66 -0.21 0.00 0.00 178.00 179.28 1qou h SER 44 N 0.52 0.00 1.04 -2.05 4.64 -1.94 -2.48 113.55 113.28 1qou h SER 44 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1qou h SER 44 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1qou h SER 44 CO -0.13 0.12 -0.08 0.00 -0.87 0.00 0.00 176.83 175.87 1qou n ALA 45 N -2.19 2.48 -1.61 5.18 0.00 -0.59 -4.12 120.51 119.66 1qou n ALA 45 Ca -0.00 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1qou n ALA 45 Cb 0.33 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.69 1.65 0.14 0.00 0.24 -0.94 -4.71 118.33 113.02 1qou n VAL 46 Ca 0.06 -2.42 -0.01 0.00 -2.04 0.00 0.00 64.34 59.94 1qou n VAL 46 Cb 0.36 -0.01 0.21 0.00 -1.47 0.00 0.00 33.84 32.93 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 2.01 1.40 -3.33 3.34 1.35 -1.71 -3.41 112.91 112.57 1qou h THR 47 Ca -0.03 -1.92 -0.49 0.00 -0.55 0.00 0.00 66.41 63.41 1qou h THR 47 Cb 1.16 2.03 0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1qou h THR 47 CO 0.01 0.55 -0.01 -0.44 -0.25 0.00 0.00 175.52 175.39 1qou s SER 48 N -6.87 6.33 0.14 5.36 0.01 -1.26 -4.75 113.70 112.66 1qou s SER 48 Ca -0.02 0.80 -0.31 0.00 1.31 0.00 0.00 55.95 57.73 1qou s SER 48 Cb 0.13 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 1qou s SER 48 CO 0.76 -0.42 1.33 -0.89 0.41 0.00 0.00 173.24 174.43 1qou s THR 49 N -2.48 3.37 0.77 1.44 2.01 -1.26 -4.83 115.64 114.66 1qou s THR 49 Ca 0.45 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 1qou s THR 49 Cb -0.10 -3.66 0.12 0.00 0.01 0.00 0.00 72.50 68.86 1qou s THR 49 CO 0.38 0.11 1.09 -2.16 -0.69 0.00 0.00 174.62 173.35 1qou s PRO 50 N 0.61 1.65 -0.15 4.92 0.04 -1.26 -4.75 135.00 136.04 1qou s PRO 50 Ca 0.61 -0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.06 1qou s PRO 50 Cb -0.36 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1qou s PRO 50 CO 0.33 -1.60 -0.02 0.50 0.04 0.00 0.00 177.00 176.25 1qou s ARG 52 N -5.38 3.67 -0.36 4.56 3.52 -0.14 -4.96 118.95 119.87 1qou s ARG 52 Ca 0.65 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.70 1qou s ARG 52 Cb -0.07 -2.95 0.05 0.00 -1.56 0.00 0.00 34.95 30.42 1qou s ARG 52 CO 0.47 0.28 0.14 0.08 -0.81 0.00 0.00 175.30 175.46 1qou s VAL 53 N 0.27 3.80 -0.02 7.11 1.01 -1.26 -1.00 120.40 130.31 1qou s VAL 53 Ca -0.02 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 1qou s VAL 53 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1qou s VAL 53 CO 0.02 -0.29 1.12 -1.61 0.00 0.00 0.00 175.10 174.35 1qou s GLU 54 N 1.38 4.43 -0.65 2.72 0.41 -0.51 -1.55 118.70 124.92 1qou s GLU 54 Ca -0.00 1.59 -0.08 0.00 -0.41 0.00 0.00 54.97 56.08 1qou s GLU 54 Cb -0.21 -3.48 0.17 0.00 -1.78 0.00 0.00 34.13 28.84 1qou s GLU 54 CO 0.02 -0.29 0.52 0.08 -0.49 0.00 0.00 175.26 175.10 1qou s VAL 55 N 1.60 4.40 0.32 2.63 1.01 -0.41 -2.09 120.40 127.86 1qou s VAL 55 Ca 0.54 -2.55 0.23 0.00 0.00 0.00 0.00 61.98 60.20 1qou s VAL 55 Cb -0.24 -3.82 0.23 0.00 0.00 0.00 0.00 36.38 32.55 1qou s VAL 55 CO 0.25 -0.90 1.94 0.45 0.00 0.00 0.00 175.10 176.83 1qou h HIS 56 N 7.57 0.00 -3.55 5.22 3.86 -1.56 -2.71 115.15 123.98 1qou h HIS 56 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1qou h HIS 56 Cb 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1qou h HIS 56 CO 0.79 0.22 0.00 0.41 0.86 0.00 0.00 177.93 180.21 1qou n GLY 57 N -0.37 5.10 0.00 2.45 0.00 -1.25 -4.59 105.19 106.52 1qou n GLY 57 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 2.39 3.65 -0.02 0.00 -1.26 -1.38 105.19 113.57 1qou n GLY 58 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 1.19 0.03 1.61 1.47 -1.26 -4.51 116.67 115.21 1qou s ASP 59 Ca 0.00 0.51 -0.10 0.00 1.18 0.00 0.00 52.55 54.14 1qou s ASP 59 Cb 0.00 -0.68 -0.04 0.00 -0.34 0.00 0.00 42.92 41.86 1qou s ASP 59 CO 0.00 -3.94 1.16 0.24 0.68 0.00 0.00 175.17 173.31 1qou h MET 60 N -2.46 -0.18 -1.66 2.11 2.86 -1.99 -2.69 114.93 110.92 1qou h MET 60 Ca -0.44 0.01 -0.61 0.00 -2.06 0.00 0.00 59.70 56.60 1qou h MET 60 Cb 1.28 0.04 -0.23 0.00 0.06 0.00 0.00 31.60 32.74 1qou h MET 60 CO 0.33 -0.12 0.76 -2.13 1.06 0.00 0.00 176.91 176.81 1qou n ARG 61 N -3.39 2.51 -3.88 1.72 0.63 -1.26 -4.82 116.66 108.16 1qou n ARG 61 Ca -0.02 -2.88 -0.34 0.00 -0.92 0.00 0.00 57.85 53.69 1qou n ARG 61 Cb 0.11 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 30.83 1qou n ARG 61 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1qou s SER 62 N -0.74 6.39 -0.00 6.15 1.04 -1.01 -4.88 113.70 120.64 1qou s SER 62 Ca 0.54 0.40 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1qou s SER 62 Cb 0.41 -2.03 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 1qou s SER 62 CO -0.20 0.29 -0.10 -0.36 0.98 0.00 0.00 173.24 173.85 1qou s PHE 63 N -1.27 0.87 0.08 5.02 0.40 -1.26 -1.52 117.98 120.30 1qou s PHE 63 Ca 0.25 -0.19 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1qou s PHE 63 Cb -0.13 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 1qou s PHE 63 CO 0.16 -0.01 -0.15 -0.06 0.70 0.00 0.00 175.22 175.86 1qou s PHE 64 N -0.30 1.31 -0.09 0.36 0.40 -0.44 -0.30 117.98 118.92 1qou s PHE 64 Ca 0.03 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1qou s PHE 64 Cb -0.04 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1qou s PHE 64 CO -0.00 0.08 -0.13 0.99 0.70 0.00 0.00 175.22 176.86 1qou s THR 65 N -1.33 3.11 -0.17 0.64 2.01 -0.21 -1.27 115.64 118.42 1qou s THR 65 Ca -0.00 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1qou s THR 65 Cb -0.10 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1qou s THR 65 CO 0.03 0.56 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.21 1qou s LEU 66 N -0.27 2.84 -0.06 4.42 2.96 -0.13 -0.95 118.68 127.50 1qou s LEU 66 Ca 0.02 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1qou s LEU 66 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1qou s LEU 66 CO 0.03 0.09 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.29 1qou s ILE 67 N 0.80 2.27 -0.19 6.68 1.01 -0.38 -1.49 121.20 129.89 1qou s ILE 67 Ca -0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 1qou s ILE 67 Cb -0.15 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1qou s ILE 67 CO 0.01 0.57 -0.16 -0.32 0.00 0.00 0.00 174.94 175.04 1qou s MET 68 N -0.24 3.03 0.05 2.79 -2.45 -0.80 -0.86 119.30 120.82 1qou s MET 68 Ca -0.01 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1qou s MET 68 Cb -0.13 -2.69 -0.03 0.00 1.25 0.00 0.00 34.83 33.23 1qou s MET 68 CO 0.03 -0.23 -0.05 -0.08 1.05 0.00 0.00 175.02 175.74 1qou s THR 69 N 1.32 0.36 -0.28 10.11 -1.32 -0.38 -1.15 115.64 124.31 1qou s THR 69 Ca 0.04 -1.37 0.03 0.00 -1.21 0.00 0.00 61.69 59.18 1qou s THR 69 Cb -0.14 -0.93 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 1qou s THR 69 CO -0.10 -0.66 -0.07 -0.62 -2.21 0.00 0.00 174.62 170.95 1qou s ASP 70 N -2.15 4.55 0.00 8.08 2.15 -0.16 -1.83 116.67 127.30 1qou s ASP 70 Ca -0.03 -1.52 0.29 0.00 0.43 0.00 0.00 52.55 51.72 1qou s ASP 70 Cb -0.03 -1.58 1.32 0.00 -0.30 0.00 0.00 42.92 42.34 1qou s ASP 70 CO -0.04 -0.23 1.92 -0.81 -0.17 0.00 0.00 175.17 175.84 1qou n PRO 71 N 4.42 0.70 -2.04 4.34 -0.04 -1.26 -0.95 135.00 140.16 1qou n PRO 71 Ca -0.11 -0.20 -0.38 0.00 -0.04 0.00 0.00 63.50 62.77 1qou n PRO 71 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.98 7.12 -4.40 3.54 8.00 -1.26 -4.61 116.55 123.95 1qou n ASP 72 Ca 0.15 -3.81 -0.32 0.00 0.71 0.00 0.00 54.79 51.52 1qou n ASP 72 Cb 0.26 -0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 40.23 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 -5.10 2.73 -1.09 2.53 -7.23 -1.26 -2.33 120.40 108.66 1qou s VAL 73 Ca 0.51 -0.84 0.29 0.00 -1.81 0.00 0.00 61.98 60.13 1qou s VAL 73 Cb 0.42 -2.05 0.29 0.00 0.56 0.00 0.00 36.38 35.61 1qou s VAL 73 CO -0.37 0.58 1.95 -0.81 -0.31 0.00 0.00 175.10 176.14 1qou n PRO 74 N 2.56 0.09 -3.69 4.82 -0.04 -1.26 -1.70 135.00 135.78 1qou n PRO 74 Ca -0.17 -0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 1qou n PRO 74 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.91 -0.22 0.57 0.55 0.00 -0.98 -1.57 107.32 102.76 1qou s GLY 75 Ca 0.17 0.14 0.37 0.00 0.00 0.00 0.00 44.72 45.39 1qou s GLY 75 CO 0.52 -0.11 2.10 -0.56 0.00 0.00 0.00 173.10 175.05 1qou h PRO 76 N 2.96 0.00 0.02 2.90 0.13 -1.73 -3.00 132.00 133.27 1qou h PRO 76 Ca -0.32 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.57 1qou h PRO 76 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1qou h PRO 76 CO 0.45 0.00 -0.99 0.77 -0.23 0.00 0.00 178.00 178.00 1qou h SER 77 N 0.00 0.57 -2.35 1.44 0.02 -1.93 -3.39 113.55 107.91 1qou h SER 77 Ca 0.00 -0.47 -0.59 0.00 -0.84 0.00 0.00 61.79 59.89 1qou h SER 77 Cb 0.32 -0.17 -0.38 0.00 0.14 0.00 0.00 62.40 62.30 1qou h SER 77 CO 0.00 1.28 -0.98 -0.67 -1.14 0.00 0.00 176.83 175.32 1qou n ASP 78 N -3.74 -0.48 -3.66 3.07 2.03 -1.20 -5.06 116.55 107.51 1qou n ASP 78 Ca -0.07 -2.38 -0.41 0.00 0.52 0.00 0.00 54.79 52.44 1qou n ASP 78 Cb 0.86 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 2.80 3.02 0.00 -0.67 -0.04 -1.14 -4.39 135.00 134.58 1qou n PRO 79 Ca 0.30 -2.55 0.14 0.00 -0.04 0.00 0.00 63.50 61.35 1qou n PRO 79 Cb 0.48 -3.19 0.59 0.00 -0.04 0.00 0.00 33.50 31.33 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 5.60 0.00 -0.54 0.54 0.18 -1.11 -2.79 117.16 119.04 1qou n TYR 80 Ca 0.57 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.44 1qou n TYR 80 Cb 0.36 -0.39 0.30 0.00 -0.38 0.00 0.00 39.34 39.23 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 -1.40 4.18 -4.66 -3.48 4.77 -0.69 -5.01 117.00 110.72 1qou n LEU 81 Ca 0.09 -2.36 -0.43 0.00 -0.03 0.00 0.00 56.01 53.29 1qou n LEU 81 Cb 0.31 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1qou n LEU 81 CO 0.27 0.81 0.76 -2.11 -1.33 0.00 0.00 177.39 175.79 1qou n ARG 82 N 0.90 1.77 -3.68 3.23 1.85 -1.12 -3.62 116.66 116.00 1qou n ARG 82 Ca 0.22 0.62 -0.21 0.00 -1.00 0.00 0.00 57.85 57.49 1qou n ARG 82 Cb 0.76 -2.16 -0.03 0.00 -1.05 0.00 0.00 32.46 29.98 1qou n ARG 82 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1qou s GLU 83 N -1.85 2.63 -0.23 2.89 2.02 -0.50 -4.41 118.70 119.25 1qou s GLU 83 Ca 0.58 -1.41 -0.04 0.00 0.02 0.00 0.00 54.97 54.12 1qou s GLU 83 Cb -0.60 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 1qou s GLU 83 CO 0.60 -0.05 -0.02 -1.58 0.02 0.00 0.00 175.26 174.23 1qou s HIS 84 N -2.39 2.99 0.05 1.61 5.65 -0.13 -1.35 115.29 121.72 1qou s HIS 84 Ca 0.45 -0.89 -0.30 0.00 0.25 0.00 0.00 55.06 54.56 1qou s HIS 84 Cb -0.05 -2.13 -0.04 0.00 -1.18 0.00 0.00 32.58 29.18 1qou s HIS 84 CO 0.27 -0.53 1.02 -1.17 -0.65 0.00 0.00 174.74 173.68 1qou s LEU 85 N 1.49 4.41 -0.12 8.88 2.96 -0.62 -0.99 118.68 134.70 1qou s LEU 85 Ca 0.05 1.78 0.12 0.00 -0.22 0.00 0.00 54.13 55.87 1qou s LEU 85 Cb -0.15 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 42.79 1qou s LEU 85 CO -0.02 -0.24 0.08 1.41 -1.32 0.00 0.00 176.35 176.26 1qou n HIS 86 N 3.50 0.00 -3.58 5.38 8.25 -0.30 -4.85 115.22 123.61 1qou n HIS 86 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1qou n HIS 86 Cb 0.49 -0.61 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.41 -0.55 -0.08 4.41 -0.00 -1.11 -1.59 118.94 117.62 1qou s TRP 87 Ca -0.06 1.10 -0.04 0.00 -0.00 0.00 0.00 56.10 57.10 1qou s TRP 87 Cb 0.05 0.39 0.04 0.00 -0.00 0.00 0.00 33.47 33.95 1qou s TRP 87 CO 0.55 -0.41 0.18 0.42 -0.00 0.00 0.00 176.95 177.69 1qou s ILE 88 N -0.64 -0.11 -0.07 5.86 1.01 -0.81 -1.91 121.20 124.53 1qou s ILE 88 Ca -0.03 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1qou s ILE 88 Cb -0.02 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1qou s ILE 88 CO 0.03 0.09 -0.13 -0.69 0.00 0.00 0.00 174.94 174.23 1qou s VAL 89 N 1.46 1.20 0.40 2.92 1.01 -0.55 -1.53 120.40 125.31 1qou s VAL 89 Ca -0.07 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1qou s VAL 89 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1qou s VAL 89 CO -0.07 0.37 0.21 0.28 0.00 0.00 0.00 175.10 175.89 1qou s THR 90 N 0.71 2.50 -1.43 3.92 -1.32 -0.32 -0.95 115.64 118.74 1qou s THR 90 Ca -0.14 -1.63 -0.09 0.00 -1.21 0.00 0.00 61.69 58.63 1qou s THR 90 Cb -0.16 -2.99 0.05 0.00 -1.51 0.00 0.00 72.50 67.89 1qou s THR 90 CO 0.03 -0.03 0.92 0.47 -2.21 0.00 0.00 174.62 173.80 1qou n ASP 91 N -1.28 -3.78 -4.65 8.08 8.00 -1.11 -0.59 116.55 121.22 1qou n ASP 91 Ca -0.01 -0.76 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1qou n ASP 91 Cb 0.63 -4.11 -0.05 0.00 -0.02 0.00 0.00 41.12 37.58 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 -3.42 4.88 0.35 0.53 1.01 -0.40 -4.45 121.20 119.70 1qou s ILE 92 Ca 0.43 1.51 -0.28 0.00 0.00 0.00 0.00 60.65 62.30 1qou s ILE 92 Cb -0.21 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 1qou s ILE 92 CO 0.81 -0.02 1.36 -2.84 0.00 0.00 0.00 174.94 174.25 1qou s PRO 93 N 2.54 4.28 0.52 2.79 0.02 -1.26 -1.32 135.00 142.56 1qou s PRO 93 Ca 0.34 2.31 -0.20 0.00 0.02 0.00 0.00 61.00 63.48 1qou s PRO 93 Cb -0.16 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 1qou s PRO 93 CO 0.09 -0.29 0.59 0.41 -0.33 0.00 0.00 177.00 177.47 1qou n GLY 94 N 0.70 -1.32 3.15 0.52 0.00 -0.57 -2.42 105.19 105.24 1qou n GLY 94 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.35 0.00 0.00 2.61 -2.24 -0.48 -4.95 114.28 107.88 1qou n THR 94 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1qou n THR 94 Cb 0.45 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.16 0.00 -3.88 4.28 -2.24 -1.01 -4.80 114.28 104.47 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 0.22 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.33 -0.21 0.53 3.42 1.47 -1.26 -1.29 116.67 118.99 1qou s ASP 96 Ca 0.00 -0.69 0.28 0.00 1.18 0.00 0.00 52.55 53.33 1qou s ASP 96 Cb 0.00 0.66 1.43 0.00 -0.34 0.00 0.00 42.92 44.67 1qou s ASP 96 CO 0.00 -1.23 1.93 0.77 0.68 0.00 0.00 175.17 177.32 1qou h SER 97 N 2.11 0.02 0.28 2.11 4.64 -1.67 -2.14 113.55 118.91 1qou h SER 97 Ca -0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 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 0.29 0.01 -0.11 0.77 -0.87 0.00 0.00 176.83 176.92 1qou h SER 98 N 0.02 0.00 0.68 4.97 4.64 -1.93 -2.16 113.55 119.77 1qou h SER 98 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1qou h SER 98 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1qou h SER 98 CO -0.01 0.11 -0.09 0.49 -0.87 0.00 0.00 176.83 176.46 1qou n PHE 99 N -3.77 0.00 -2.04 4.77 3.72 -0.80 -4.87 117.46 114.47 1qou n PHE 99 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1qou n PHE 99 Cb 0.22 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.40 0.28 3.47 1.37 0.00 -0.81 -4.78 105.19 106.11 1qou n GLY 100 Ca 0.10 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.04 3.67 -0.37 1.61 -0.14 0.24 -4.93 119.74 116.78 1qou s LYS 101 Ca 0.13 -0.49 -0.28 0.00 -1.36 0.00 0.00 55.97 53.97 1qou s LYS 101 Cb -0.01 -3.17 -0.02 0.00 -1.68 0.00 0.00 37.83 32.96 1qou s LYS 101 CO 0.09 -0.02 1.80 -2.00 -0.76 0.00 0.00 175.35 174.45 1qou s GLU 102 N 1.12 3.25 -0.15 1.68 2.12 -1.26 -1.18 118.70 124.28 1qou s GLU 102 Ca 0.03 1.32 -0.10 0.00 0.36 0.00 0.00 54.97 56.58 1qou s GLU 102 Cb -0.14 -4.22 -0.24 0.00 0.26 0.00 0.00 34.13 29.79 1qou s GLU 102 CO 0.02 -1.96 0.29 0.28 -0.54 0.00 0.00 175.26 173.35 1qou n VAL 103 N 7.38 1.71 -3.87 3.70 0.31 -0.58 -4.85 118.33 122.14 1qou n VAL 103 Ca 0.22 -0.52 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 1qou n VAL 103 Cb 0.47 -1.79 -0.17 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.52 0.89 0.54 2.52 1.01 -0.98 -4.95 120.40 116.91 1qou s VAL 104 Ca -0.25 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1qou s VAL 104 Cb 0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1qou s VAL 104 CO 0.72 0.28 1.30 -0.94 0.00 0.00 0.00 175.10 176.46 1qou s SER 105 N 1.75 5.37 0.36 3.32 1.04 -1.26 -1.93 113.70 122.35 1qou s SER 105 Ca 0.04 2.63 -0.28 0.00 0.48 0.00 0.00 55.95 58.82 1qou s SER 105 Cb -0.13 -2.62 -0.11 0.00 0.10 0.00 0.00 66.02 63.26 1qou s SER 105 CO -0.08 -1.49 1.47 -0.47 0.98 0.00 0.00 173.24 173.65 1qou s TYR 106 N -1.38 2.68 -0.12 5.02 5.04 -1.26 -4.54 117.35 122.80 1qou s TYR 106 Ca 0.72 1.16 0.03 0.00 -2.44 0.00 0.00 57.07 56.53 1qou s TYR 106 Cb -0.37 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 37.97 1qou s TYR 106 CO 0.43 -2.89 -0.21 -2.00 -1.34 0.00 0.00 175.55 169.55 1qou s GLU 107 N -1.83 2.79 0.37 4.97 2.12 -0.62 -5.03 118.70 121.48 1qou s GLU 107 Ca 0.54 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.82 1qou s GLU 107 Cb -0.46 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 1qou s GLU 107 CO 0.59 0.04 1.20 0.00 -0.54 0.00 0.00 175.26 176.55 1qou s MET 108 N 0.69 4.17 0.23 4.30 0.23 -1.26 -4.90 119.30 122.76 1qou s MET 108 Ca -0.11 1.93 -0.32 0.00 -1.03 0.00 0.00 55.69 56.16 1qou s MET 108 Cb -0.16 -2.82 -0.13 0.00 -1.53 0.00 0.00 34.83 30.19 1qou s MET 108 CO 0.02 -0.24 1.47 -2.30 -2.03 0.00 0.00 175.02 171.94 1qou n PRO 109 N 0.35 2.15 -2.92 3.16 -0.02 -1.26 -4.94 135.00 131.52 1qou n PRO 109 Ca 0.03 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1qou n PRO 109 Cb 0.45 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.36 0.82 -1.98 -0.52 3.00 -1.26 -4.90 116.66 114.17 1qou n ARG 110 Ca 0.12 -2.37 -0.41 0.00 -0.00 0.00 0.00 57.85 55.19 1qou n ARG 110 Cb 0.32 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 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 -0.25 4.25 0.00 -0.14 0.04 -1.26 -4.98 135.00 132.65 1qou s PRO 111 Ca 0.32 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1qou s PRO 111 Cb 0.23 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1qou s PRO 111 CO -0.16 -0.39 0.00 -1.71 0.04 0.00 0.00 177.00 174.78 1qou n ASN 112 N 1.59 0.00 -4.55 6.66 2.85 -1.26 -4.10 115.26 116.46 1qou n ASN 112 Ca 0.04 0.35 -0.34 0.00 -0.11 0.00 0.00 54.58 54.52 1qou n ASN 112 Cb 0.40 -0.39 -0.12 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.77 3.88 0.00 -1.44 1.01 -0.61 -4.76 121.20 118.51 1qou s ILE 115 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1qou s ILE 115 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1qou s ILE 115 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1qou n GLY 116 N 2.96 0.03 3.38 6.18 0.00 -1.26 -4.13 105.19 112.35 1qou n GLY 116 Ca -0.18 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 4.10 -0.01 -0.61 1.01 -1.26 -4.43 121.20 120.00 1qou s ILE 117 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1qou s ILE 117 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1qou s ILE 117 CO 0.00 0.17 0.07 -1.00 0.00 0.00 0.00 174.94 174.18 1qou s HIS 118 N 1.54 3.26 -0.12 3.97 3.76 -0.81 -4.63 115.29 122.27 1qou s HIS 118 Ca 0.04 0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.89 1qou s HIS 118 Cb -0.16 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1qou s HIS 118 CO 0.03 0.54 0.81 1.03 -0.85 0.00 0.00 174.74 176.30 1qou s ARG 119 N -1.70 4.37 -0.36 1.40 0.52 -1.26 -1.21 118.95 120.71 1qou s ARG 119 Ca 0.22 1.02 -0.09 0.00 -0.52 0.00 0.00 55.73 56.37 1qou s ARG 119 Cb -0.12 -3.52 0.03 0.00 0.52 0.00 0.00 34.95 31.86 1qou s ARG 119 CO 0.13 -0.18 0.16 -0.06 0.02 0.00 0.00 175.30 175.37 1qou s PHE 120 N 1.62 3.24 -0.11 -0.53 0.08 -0.43 -4.23 117.98 117.62 1qou s PHE 120 Ca 0.40 -1.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 1qou s PHE 120 Cb -0.17 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1qou s PHE 120 CO 0.16 -0.67 -0.07 0.08 -0.10 0.00 0.00 175.22 174.61 1qou s VAL 121 N 1.49 3.61 -0.18 -0.44 1.01 -0.76 -2.17 120.40 122.95 1qou s VAL 121 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1qou s VAL 121 Cb -0.19 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1qou s VAL 121 CO 0.05 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.27 1qou s PHE 122 N -0.20 2.92 -0.04 5.22 0.40 -0.08 -1.25 117.98 124.94 1qou s PHE 122 Ca 0.02 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1qou s PHE 122 Cb -0.13 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.40 1qou s PHE 122 CO 0.03 -0.39 -0.16 -0.51 0.70 0.00 0.00 175.22 174.89 1qou s LEU 123 N 0.99 1.88 -0.07 -0.37 1.43 -0.03 -1.49 118.68 121.02 1qou s LEU 123 Ca -0.00 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1qou s LEU 123 Cb -0.15 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1qou s LEU 123 CO -0.00 0.13 -0.14 -0.22 0.23 0.00 0.00 176.35 176.35 1qou s LEU 124 N 0.11 2.75 0.02 1.79 2.96 -0.65 -1.25 118.68 124.40 1qou s LEU 124 Ca -0.05 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1qou s LEU 124 Cb -0.11 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1qou s LEU 124 CO 0.02 0.30 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.82 1qou s PHE 125 N -0.44 1.53 -0.07 5.38 0.40 -0.12 -1.36 117.98 123.29 1qou s PHE 125 Ca 0.05 -0.33 -0.25 0.00 -0.60 0.00 0.00 56.93 55.80 1qou s PHE 125 Cb -0.12 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1qou s PHE 125 CO 0.02 0.03 0.80 0.21 0.70 0.00 0.00 175.22 176.97 1qou s LYS 126 N -0.81 4.44 0.50 0.44 2.20 -1.26 -1.04 119.74 124.20 1qou s LYS 126 Ca 0.06 1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 56.58 1qou s LYS 126 Cb -0.07 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 1qou s LYS 126 CO 0.01 -0.05 0.92 -0.65 -0.36 0.00 0.00 175.35 175.21 1qou s GLN 127 N 1.15 3.81 0.00 4.03 -0.21 0.59 -4.75 119.66 124.28 1qou s GLN 127 Ca 0.41 0.73 0.30 0.00 0.02 0.00 0.00 55.36 56.82 1qou s GLN 127 Cb -0.18 -2.21 1.41 0.00 1.00 0.00 0.00 33.01 33.02 1qou s GLN 127 CO 0.19 -0.26 2.00 1.63 -2.12 0.00 0.00 175.29 176.74 1qou n LYS 128 N -1.77 0.26 -3.63 2.91 4.01 -1.26 -4.72 118.16 113.96 1qou n LYS 128 Ca 0.05 -0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.83 1qou n LYS 128 Cb 0.54 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.54 1qou n LYS 128 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1qou s LYS 129 N -2.74 0.09 0.57 1.97 2.20 -1.26 -5.10 119.74 115.47 1qou s LYS 129 Ca 0.23 -0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 55.62 1qou s LYS 129 Cb 0.20 0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.51 1qou s LYS 129 CO 0.49 -0.04 1.12 -0.98 -0.36 0.00 0.00 175.35 175.57 1qou s ARG 129 N -2.12 3.26 0.34 4.03 1.04 -1.26 -4.91 118.95 119.33 1qou s ARG 129 Ca 0.12 1.53 0.00 0.00 -1.04 0.00 0.00 55.73 56.34 1qou s ARG 129 Cb 0.00 -2.00 0.00 0.00 -2.04 0.00 0.00 34.95 30.91 1qou s ARG 129 CO -0.03 -0.91 0.00 0.41 -0.04 0.00 0.00 175.30 174.73 1qou n GLY 130 N -0.06 -4.95 0.00 3.88 0.00 -1.26 -5.15 105.19 97.65 1qou n GLY 130 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1qou n GLY 130 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qou n VAL 143 N 0.52 0.00 -3.01 1.61 0.31 -1.26 -5.13 118.33 111.37 1qou n VAL 143 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1qou n VAL 143 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1qou n VAL 143 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1qou s VAL 144 N 0.00 4.89 0.25 2.52 1.01 -1.26 -5.05 120.40 122.76 1qou s VAL 144 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1qou s VAL 144 Cb 0.00 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1qou s VAL 144 CO 0.00 -0.10 0.95 0.00 0.00 0.00 0.00 175.10 175.95 1qou h ARG 146 N 4.07 0.00 -6.23 0.00 3.08 -1.95 -3.41 114.38 109.94 1qou h ARG 146 Ca -0.45 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.05 1qou h ARG 146 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1qou h ARG 146 CO 0.68 0.75 0.22 -0.51 -1.07 0.00 0.00 179.97 180.04 1qou s ASP 147 N -6.54 7.18 -0.70 7.04 1.01 -1.26 -1.59 116.67 121.81 1qou s ASP 147 Ca 0.02 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1qou s ASP 147 Cb 0.09 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1qou s ASP 147 CO 0.79 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.61 1qou n GLY 148 N 2.96 0.49 3.75 0.21 0.00 -0.86 -4.96 105.19 106.78 1qou n GLY 148 Ca 0.02 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.32 2.41 -0.26 1.61 5.36 -0.46 -4.50 117.98 119.82 1qou s PHE 149 Ca 0.00 1.49 -0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1qou s PHE 149 Cb 0.00 -3.55 0.07 0.00 -0.34 0.00 0.00 43.02 39.20 1qou s PHE 149 CO 0.00 -2.32 0.01 1.21 -1.46 0.00 0.00 175.22 172.67 1qou s ASN 150 N -1.41 3.78 0.19 6.13 3.84 -1.26 -1.42 114.94 124.80 1qou s ASN 150 Ca 0.75 -1.31 -0.12 0.00 0.21 0.00 0.00 52.86 52.39 1qou s ASN 150 Cb -0.33 -1.02 0.16 0.00 -0.55 0.00 0.00 41.25 39.51 1qou s ASN 150 CO 0.37 -0.31 1.82 0.74 -2.79 0.00 0.00 177.10 176.93 1qou h THR 151 N 6.58 1.03 -0.22 -5.21 2.02 -1.96 -1.66 112.91 113.51 1qou h THR 151 Ca -0.15 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1qou h THR 151 Cb 1.06 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1qou h THR 151 CO 0.42 0.12 -0.00 0.03 0.37 0.00 0.00 175.52 176.46 1qou h ARG 152 N 0.68 0.06 -0.56 6.66 3.08 -1.97 -1.07 114.38 121.26 1qou h ARG 152 Ca 0.25 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 1qou h ARG 152 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qou h ARG 152 CO -0.12 0.04 -0.07 0.87 -1.07 0.00 0.00 179.97 179.62 1qou h LYS 153 N 0.06 1.02 -0.56 0.04 1.57 -1.92 -1.12 116.57 115.67 1qou h LYS 153 Ca 0.10 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1qou h LYS 153 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1qou h LYS 153 CO -0.18 1.04 0.19 0.35 -0.57 0.00 0.00 179.45 180.29 1qou h PHE 154 N 0.92 0.87 -0.13 -1.35 3.57 -1.05 -1.48 116.94 118.30 1qou h PHE 154 Ca 0.15 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1qou h PHE 154 Cb 0.62 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1qou h PHE 154 CO 0.04 0.73 -0.50 1.79 -2.23 0.00 0.00 178.31 178.14 1qou h THR 155 N 0.77 1.34 -0.19 4.41 1.35 -1.14 -2.41 112.91 117.04 1qou h THR 155 Ca 0.18 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.29 1qou h THR 155 Cb 0.25 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1qou h THR 155 CO -0.01 0.52 0.04 -0.61 -0.25 0.00 0.00 175.52 175.22 1qou h GLN 156 N 0.26 0.30 0.00 4.72 4.15 -1.07 -0.35 115.11 123.13 1qou h GLN 156 Ca 0.01 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1qou h GLN 156 Cb 0.97 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1qou h GLN 156 CO 0.08 0.43 -0.22 0.93 -1.93 0.00 0.00 178.83 178.13 1qou h GLU 157 N 0.11 0.00 -0.49 1.69 5.08 -1.26 -2.74 114.58 116.97 1qou h GLU 157 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1qou h GLU 157 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1qou h GLU 157 CO 0.00 0.22 0.00 0.09 -1.00 0.00 0.00 179.01 178.32 1qou n ASN 158 N -4.23 4.40 -3.96 1.42 3.02 -0.91 -4.98 115.26 110.03 1qou n ASN 158 Ca -0.02 -2.59 -0.30 0.00 -0.03 0.00 0.00 54.58 51.64 1qou n ASN 158 Cb 0.28 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1qou n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qou n GLU 159 N 0.55 -2.25 0.00 3.52 1.02 -0.71 -4.88 120.64 117.88 1qou n GLU 159 Ca 0.23 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.82 1qou n GLU 159 Cb 0.86 -4.11 0.09 0.00 -0.02 0.00 0.00 31.44 28.26 1qou n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1qou n LEU 160 N -4.45 1.95 0.00 -4.62 4.77 -0.22 -4.61 117.00 109.81 1qou n LEU 160 Ca -0.25 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1qou n LEU 160 Cb 0.66 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1qou n LEU 160 CO 0.75 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1qou n GLY 161 N 1.39 0.38 3.94 -0.72 0.00 -1.26 -4.32 105.19 104.61 1qou n GLY 161 Ca 0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 4.06 0.64 0.99 1.43 -1.26 -4.87 118.68 119.68 1qou s LEU 162 Ca 0.00 0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.33 1qou s LEU 162 Cb 0.00 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 1qou s LEU 162 CO 0.00 -0.25 1.16 -2.65 0.23 0.00 0.00 176.35 174.84 1qou n PRO 163 N -1.66 0.98 -0.00 1.29 -0.02 -1.26 -4.65 135.00 129.68 1qou n PRO 163 Ca -0.05 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 1qou n PRO 163 Cb 0.56 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.93 0.00 -3.49 -1.45 0.24 -0.46 -4.67 118.33 106.56 1qou n VAL 164 Ca 0.15 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1qou n VAL 164 Cb 0.48 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.30 -1.77 -0.05 2.33 0.00 -1.23 -1.69 121.76 117.04 1qou s ALA 165 Ca 0.04 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1qou s ALA 165 Cb 0.10 0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.66 1qou s ALA 165 CO 0.54 -0.63 0.80 0.00 0.00 0.00 0.00 175.76 176.47 1qou s ALA 166 N -2.81 -1.81 0.04 0.00 0.00 -1.26 -1.63 121.76 114.28 1qou s ALA 166 Ca 0.01 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 1qou s ALA 166 Cb -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1qou s ALA 166 CO -0.07 -0.46 0.37 0.54 0.00 0.00 0.00 175.76 176.15 1qou s VAL 167 N -1.82 0.06 0.07 0.00 0.11 -0.55 -5.00 120.40 113.27 1qou s VAL 167 Ca -0.04 -0.52 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 1qou s VAL 167 Cb -0.00 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1qou s VAL 167 CO 0.01 -0.29 0.12 0.72 -3.33 0.00 0.00 175.10 172.33 1qou s PHE 168 N -2.37 0.25 0.18 1.54 -0.71 -1.26 -0.90 117.98 114.71 1qou s PHE 168 Ca -0.06 -0.67 0.07 0.00 -1.04 0.00 0.00 56.93 55.23 1qou s PHE 168 Cb -0.01 -0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.59 1qou s PHE 168 CO -0.02 -0.46 -0.13 -0.59 -1.34 0.00 0.00 175.22 172.68 1qou s PHE 169 N -3.54 1.57 0.02 3.49 -0.71 -0.92 -2.05 117.98 115.85 1qou s PHE 169 Ca 0.03 -0.61 -0.08 0.00 -1.04 0.00 0.00 56.93 55.23 1qou s PHE 169 Cb 0.04 -0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 41.05 1qou s PHE 169 CO -0.09 0.27 0.31 -0.80 -1.34 0.00 0.00 175.22 173.57 1qou s ASN 170 N -3.18 6.55 -0.14 1.98 0.01 -0.43 -1.32 114.94 118.42 1qou s ASN 170 Ca 0.20 0.64 -0.12 0.00 -0.71 0.00 0.00 52.86 52.86 1qou s ASN 170 Cb -0.00 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.57 1qou s ASN 170 CO 0.05 0.24 0.36 0.00 -1.51 0.00 0.00 177.10 176.24 1qou s GLN 172 N 0.33 1.70 0.79 0.00 -2.07 -1.26 -1.92 119.66 117.23 1qou s GLN 172 Ca -0.01 -1.97 -0.12 0.00 -1.82 0.00 0.00 55.36 51.44 1qou s GLN 172 Cb -0.03 -0.73 0.07 0.00 -1.09 0.00 0.00 33.01 31.23 1qou s GLN 172 CO -0.01 -0.28 1.13 -0.98 -1.32 0.00 0.00 175.29 173.83 1qou s ARG 173 N -3.86 1.93 0.13 9.60 1.70 -1.26 -4.55 118.95 122.65 1qou s ARG 173 Ca 0.33 1.43 -0.24 0.00 -0.47 0.00 0.00 55.73 56.78 1qou s ARG 173 Cb 0.07 -1.84 -0.07 0.00 -0.57 0.00 0.00 34.95 32.53 1qou s ARG 173 CO 0.15 -1.93 0.72 -1.83 -1.08 0.00 0.00 175.30 171.33 1qou s GLU 174 N -4.51 4.47 0.00 3.89 -1.05 -1.26 -5.01 118.70 115.23 1qou s GLU 174 Ca 0.66 1.04 0.26 0.00 -0.15 0.00 0.00 54.97 56.79 1qou s GLU 174 Cb -0.22 -3.27 0.70 0.00 -0.44 0.00 0.00 34.13 30.91 1qou s GLU 174 CO 0.52 0.56 1.55 2.41 0.95 0.00 0.00 175.26 181.25