#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqt s SER 33 N 0.00 -0.16 -0.12 0.00 1.04 -1.26 -4.41 113.70 108.80 2aqt s SER 33 Ca 0.00 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 2aqt s SER 33 Cb 0.00 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.80 2aqt s SER 33 CO 0.00 -1.22 -0.01 -0.63 0.98 0.00 0.00 173.24 172.36 2aqt s ILE 34 N -3.98 0.60 -0.28 -1.02 1.01 -0.56 -4.98 121.20 112.00 2aqt s ILE 34 Ca 0.18 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 2aqt s ILE 34 Cb -0.03 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2aqt s ILE 34 CO 0.08 0.16 0.37 -0.70 0.00 0.00 0.00 174.94 174.85 2aqt s GLU 35 N 1.87 3.98 -0.22 2.79 2.12 -1.26 -0.69 118.70 127.29 2aqt s GLU 35 Ca 0.03 -0.00 -0.08 0.00 0.36 0.00 0.00 54.97 55.28 2aqt s GLU 35 Cb -0.14 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2aqt s GLU 35 CO -0.07 -0.29 0.09 0.08 -0.54 0.00 0.00 175.26 174.53 2aqt s VAL 36 N 2.06 4.74 -0.10 3.70 1.01 0.13 -4.87 120.40 127.08 2aqt s VAL 36 Ca 0.15 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 2aqt s VAL 36 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2aqt s VAL 36 CO 0.10 0.38 0.94 -0.75 0.00 0.00 0.00 175.10 175.77 2aqt s LYS 37 N 1.01 4.42 -0.07 2.72 2.20 -1.26 -1.26 119.74 127.50 2aqt s LYS 37 Ca 0.05 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.95 2aqt s LYS 37 Cb -0.14 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 2aqt s LYS 37 CO 0.03 -0.24 -0.10 0.08 -0.36 0.00 0.00 175.35 174.76 2aqt s VAL 38 N 1.76 3.39 0.04 4.02 1.01 -0.01 -4.24 120.40 126.37 2aqt s VAL 38 Ca 0.46 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2aqt s VAL 38 Cb -0.18 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2aqt s VAL 38 CO 0.18 0.59 -0.13 -1.10 0.00 0.00 0.00 175.10 174.64 2aqt s GLN 39 N -0.63 0.85 0.21 2.72 -0.21 -0.46 -1.51 119.66 120.63 2aqt s GLN 39 Ca 0.09 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.42 2aqt s GLN 39 Cb -0.11 -0.84 -0.08 0.00 1.00 0.00 0.00 33.01 32.98 2aqt s GLN 39 CO 0.01 0.20 1.10 -1.14 -2.12 0.00 0.00 175.29 173.35 2aqt s GLN 40 N -1.21 4.61 -0.09 2.91 0.74 0.19 -1.21 119.66 125.60 2aqt s GLN 40 Ca 0.00 1.74 -0.28 0.00 0.05 0.00 0.00 55.36 56.87 2aqt s GLN 40 Cb -0.08 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 2aqt s GLN 40 CO 0.01 0.12 0.93 -0.51 -0.55 0.00 0.00 175.29 175.29 2aqt s LEU 41 N -0.69 4.27 -0.36 3.68 1.43 -0.09 -1.77 118.68 125.14 2aqt s LEU 41 Ca 0.48 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 2aqt s LEU 41 Cb -0.30 -3.43 0.15 0.00 0.03 0.00 0.00 46.19 42.63 2aqt s LEU 41 CO 0.37 -0.35 0.31 -0.62 0.23 0.00 0.00 176.35 176.28 2aqt s ASP 42 N 1.05 1.85 0.47 2.29 -1.08 -1.26 -4.97 116.67 115.03 2aqt s ASP 42 Ca 0.46 -1.74 0.32 0.00 -0.52 0.00 0.00 52.55 51.07 2aqt s ASP 42 Cb -0.18 0.22 1.66 0.00 -1.46 0.00 0.00 42.92 43.15 2aqt s ASP 42 CO 0.19 -0.29 1.98 -0.65 0.52 0.00 0.00 175.17 176.92 2aqt h PRO 43 N 7.14 0.00 0.00 4.34 0.11 -1.90 0.14 132.00 141.83 2aqt h PRO 43 Ca 0.04 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 2aqt h PRO 43 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2aqt h PRO 43 CO 0.23 0.00 -0.76 0.28 -0.21 0.00 0.00 178.00 177.55 2aqt h VAL 44 N 0.00 0.37 -0.02 3.15 2.07 -1.94 -3.42 116.25 116.46 2aqt h VAL 44 Ca 0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2aqt h VAL 44 Cb 0.10 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2aqt h VAL 44 CO 0.00 0.12 -0.45 0.59 0.02 0.00 0.00 177.57 177.86 2aqt n ASN 45 N -4.56 2.01 0.00 0.57 4.13 -1.23 -5.08 115.26 111.10 2aqt n ASN 45 Ca -0.16 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 54.60 2aqt n ASN 45 Cb 0.41 0.47 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2aqt n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aqt n GLY 46 N 1.38 2.68 3.77 7.41 0.00 0.03 -5.05 105.19 115.41 2aqt n GLY 46 Ca 0.09 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 2aqt n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqt s ASN 47 N 0.00 5.37 -0.04 1.61 0.01 -1.24 -4.29 114.94 116.35 2aqt s ASN 47 Ca 0.00 2.18 0.04 0.00 -0.71 0.00 0.00 52.86 54.36 2aqt s ASN 47 Cb 0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 2aqt s ASN 47 CO 0.00 -1.46 -0.15 -0.54 -1.51 0.00 0.00 177.10 173.44 2aqt s LYS 48 N -3.55 1.67 0.33 -0.60 -0.14 -0.73 -4.93 119.74 111.79 2aqt s LYS 48 Ca 0.72 -0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 54.50 2aqt s LYS 48 Cb -0.24 -1.45 -0.11 0.00 -1.68 0.00 0.00 37.83 34.35 2aqt s LYS 48 CO 0.33 0.19 1.52 -0.51 -0.76 0.00 0.00 175.35 176.13 2aqt s ASP 49 N 0.15 6.39 0.00 2.83 1.01 -1.26 0.52 116.67 126.31 2aqt s ASP 49 Ca -0.05 2.97 0.00 0.00 0.71 0.00 0.00 52.55 56.18 2aqt s ASP 49 Cb -0.12 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aqt s ASP 49 CO 0.02 -0.87 0.61 1.33 0.21 0.00 0.00 175.17 176.48 2aqt n VAL 50 N 1.33 0.31 0.00 -1.27 0.24 -0.57 -4.79 118.33 113.58 2aqt n VAL 50 Ca 0.04 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2aqt n VAL 50 Cb 0.39 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 2aqt n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqt n GLY 51 N -0.16 0.54 3.23 7.63 0.00 -1.21 -0.93 105.19 114.30 2aqt n GLY 51 Ca 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2aqt n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqt s THR 52 N -1.35 0.00 -0.06 2.61 -4.23 -0.83 -0.83 115.64 110.94 2aqt s THR 52 Ca 0.00 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2aqt s THR 52 Cb 0.00 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.39 2aqt s THR 52 CO 0.00 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.41 2aqt s VAL 53 N -4.12 0.20 -0.20 2.29 1.01 -0.39 -0.87 120.40 118.31 2aqt s VAL 53 Ca 0.38 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 2aqt s VAL 53 Cb 0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2aqt s VAL 53 CO 0.12 0.23 0.10 -0.89 0.00 0.00 0.00 175.10 174.67 2aqt s THR 54 N 2.01 5.08 -0.17 3.92 2.01 0.26 -0.69 115.64 128.05 2aqt s THR 54 Ca 0.04 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2aqt s THR 54 Cb -0.12 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2aqt s THR 54 CO -0.04 0.42 0.02 -0.63 -0.69 0.00 0.00 174.62 173.70 2aqt s ILE 55 N 0.58 4.45 0.21 1.82 1.01 0.14 -0.50 121.20 128.90 2aqt s ILE 55 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2aqt s ILE 55 Cb -0.12 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2aqt s ILE 55 CO 0.01 0.47 0.05 0.42 0.00 0.00 0.00 174.94 175.88 2aqt s THR 56 N 0.37 0.59 -0.11 2.92 -4.23 -0.66 -1.50 115.64 113.02 2aqt s THR 56 Ca 0.00 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 2aqt s THR 56 Cb -0.13 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 2aqt s THR 56 CO 0.01 -0.27 0.04 -1.61 -0.54 0.00 0.00 174.62 172.26 2aqt s GLU 57 N -3.97 3.23 0.40 3.99 2.02 -1.26 -0.53 118.70 122.57 2aqt s GLU 57 Ca 0.30 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 55.00 2aqt s GLU 57 Cb 0.07 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2aqt s GLU 57 CO 0.08 0.65 0.04 -1.54 0.02 0.00 0.00 175.26 174.52 2aqt s SER 58 N -0.73 3.29 0.00 -0.19 1.04 -0.46 -4.92 113.70 111.74 2aqt s SER 58 Ca 0.12 -1.47 0.21 0.00 0.48 0.00 0.00 55.95 55.29 2aqt s SER 58 Cb -0.12 -0.00 1.24 0.00 0.10 0.00 0.00 66.02 67.24 2aqt s SER 58 CO 0.02 -0.64 1.64 0.59 0.98 0.00 0.00 173.24 175.83 2aqt n ASN 59 N -0.98 0.00 0.00 7.02 3.02 -1.26 -2.62 115.26 120.45 2aqt n ASN 59 Ca -0.07 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 2aqt n ASN 59 Cb 0.67 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 2aqt n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqt n TYR 60 N -0.96 0.00 0.00 3.10 4.01 -1.26 -5.12 117.16 116.93 2aqt n TYR 60 Ca 0.16 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2aqt n TYR 60 Cb 0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2aqt n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqt n GLY 61 N -0.31 1.06 3.75 2.72 0.00 -1.08 -4.08 105.19 107.26 2aqt n GLY 61 Ca 0.00 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 2aqt n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 62 N 0.00 4.51 -0.17 0.99 1.43 -0.23 -1.35 118.68 123.86 2aqt s LEU 62 Ca 0.00 2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 2aqt s LEU 62 Cb 0.00 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2aqt s LEU 62 CO 0.00 -0.22 -0.03 -0.69 0.23 0.00 0.00 176.35 175.64 2aqt s VAL 63 N -0.67 3.83 -0.36 -1.59 1.01 0.31 -1.17 120.40 121.75 2aqt s VAL 63 Ca 0.48 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2aqt s VAL 63 Cb -0.31 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2aqt s VAL 63 CO 0.38 0.47 0.17 -0.36 0.00 0.00 0.00 175.10 175.77 2aqt s PHE 64 N 0.64 3.24 -0.38 5.22 0.40 -0.00 -1.66 117.98 125.43 2aqt s PHE 64 Ca -0.02 -1.05 -0.10 0.00 -0.60 0.00 0.00 56.93 55.16 2aqt s PHE 64 Cb -0.14 -2.39 0.05 0.00 0.51 0.00 0.00 43.02 41.04 2aqt s PHE 64 CO 0.02 -0.66 0.21 0.99 0.70 0.00 0.00 175.22 176.49 2aqt s THR 65 N 1.52 4.32 0.48 0.64 2.01 0.34 -1.57 115.64 123.37 2aqt s THR 65 Ca 0.01 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 2aqt s THR 65 Cb -0.19 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2aqt s THR 65 CO 0.06 -0.32 0.87 -2.16 -0.69 0.00 0.00 174.62 172.37 2aqt s PRO 66 N 1.48 3.74 -0.44 4.92 0.04 -1.26 -0.58 135.00 142.90 2aqt s PRO 66 Ca 0.02 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.70 2aqt s PRO 66 Cb -0.21 -2.27 0.24 0.00 0.04 0.00 0.00 34.50 32.31 2aqt s PRO 66 CO 0.04 -0.22 0.70 -3.47 0.04 0.00 0.00 177.00 174.09 2aqt n ASP 67 N -1.82 -1.35 -4.66 6.66 4.64 -0.05 -3.93 116.55 116.04 2aqt n ASP 67 Ca 0.04 -2.99 -0.24 0.00 -1.38 0.00 0.00 54.79 50.22 2aqt n ASP 67 Cb 0.54 0.58 -0.08 0.00 -1.04 0.00 0.00 41.12 41.12 2aqt n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqt s LEU 68 N -0.93 3.10 0.22 -2.67 1.43 -0.59 -1.97 118.68 117.27 2aqt s LEU 68 Ca 0.34 -0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 2aqt s LEU 68 Cb 0.20 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.90 2aqt s LEU 68 CO -0.18 -0.20 0.59 0.00 0.23 0.00 0.00 176.35 176.79 2aqt s GLN 69 N -3.75 1.50 -0.05 1.70 -2.07 -0.10 -1.91 119.66 114.98 2aqt s GLN 69 Ca 0.35 -0.88 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2aqt s GLN 69 Cb -0.02 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 2aqt s GLN 69 CO 0.20 -0.66 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 2aqt n GLY 70 N -0.39 0.45 3.88 2.60 0.00 -0.95 -4.75 105.19 106.04 2aqt n GLY 70 Ca -0.08 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2aqt n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 71 N -0.10 3.87 0.26 0.99 1.43 -1.00 -5.06 118.68 119.05 2aqt s LEU 71 Ca 0.00 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2aqt s LEU 71 Cb 0.00 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.67 2aqt s LEU 71 CO 0.00 -0.19 1.08 -0.94 0.23 0.00 0.00 176.35 176.53 2aqt s SER 72 N -3.96 7.31 0.60 2.29 1.04 -1.26 -4.19 113.70 115.54 2aqt s SER 72 Ca 0.37 2.20 -0.19 0.00 0.48 0.00 0.00 55.95 58.81 2aqt s SER 72 Cb -0.08 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2aqt s SER 72 CO 0.27 -0.12 1.28 -1.83 0.98 0.00 0.00 173.24 173.82 2aqt s GLU 73 N -1.21 2.84 0.00 4.02 -1.05 -1.26 -4.78 118.70 117.27 2aqt s GLU 73 Ca 0.45 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 57.30 2aqt s GLU 73 Cb -0.31 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 2aqt s GLU 73 CO 0.39 -1.36 0.00 0.41 0.95 0.00 0.00 175.26 175.65 2aqt n GLY 74 N 0.74 0.65 3.79 -3.83 0.00 0.01 -4.96 105.19 101.59 2aqt n GLY 74 Ca 0.14 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 2aqt n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 75 N 0.00 4.46 -0.04 0.99 1.43 -1.26 -1.15 118.68 123.11 2aqt s LEU 75 Ca 0.00 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2aqt s LEU 75 Cb 0.00 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2aqt s LEU 75 CO 0.00 0.19 -0.13 -1.00 0.23 0.00 0.00 176.35 175.64 2aqt s HIS 76 N -0.62 1.40 0.32 0.29 3.76 0.20 -3.73 115.29 116.90 2aqt s HIS 76 Ca 0.29 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2aqt s HIS 76 Cb -0.19 -0.97 -0.13 0.00 1.11 0.00 0.00 32.58 32.41 2aqt s HIS 76 CO 0.17 -0.16 1.18 0.41 -0.85 0.00 0.00 174.74 175.50 2aqt n GLY 77 N 3.30 0.25 2.67 -2.22 0.00 0.53 -1.19 105.19 108.53 2aqt n GLY 77 Ca -0.19 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2aqt n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqt s PHE 78 N -1.05 -0.06 0.05 1.61 5.36 -1.26 -1.09 117.98 121.54 2aqt s PHE 78 Ca 0.57 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 56.30 2aqt s PHE 78 Cb -0.63 -0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 2aqt s PHE 78 CO 0.61 -0.68 -0.00 -1.01 -1.46 0.00 0.00 175.22 172.68 2aqt s HIS 79 N 2.24 0.43 -0.09 10.12 3.76 -0.79 -2.35 115.29 128.60 2aqt s HIS 79 Ca 0.07 -0.91 -0.19 0.00 -0.15 0.00 0.00 55.06 53.88 2aqt s HIS 79 Cb -0.16 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 2aqt s HIS 79 CO -0.20 -0.36 0.52 0.42 -0.85 0.00 0.00 174.74 174.26 2aqt s ILE 80 N -3.45 5.13 0.28 0.60 1.01 0.18 0.26 121.20 125.21 2aqt s ILE 80 Ca 0.03 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.79 2aqt s ILE 80 Cb 0.04 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2aqt s ILE 80 CO -0.08 0.34 0.26 -1.00 0.00 0.00 0.00 174.94 174.45 2aqt s HIS 81 N 0.49 3.10 0.10 3.97 3.76 0.12 -0.73 115.29 126.11 2aqt s HIS 81 Ca 0.28 -0.16 -0.26 0.00 -0.15 0.00 0.00 55.06 54.78 2aqt s HIS 81 Cb -0.16 -1.56 -0.09 0.00 1.11 0.00 0.00 32.58 31.88 2aqt s HIS 81 CO 0.12 0.39 1.43 0.93 -0.85 0.00 0.00 174.74 176.76 2aqt h GLU 82 N 1.35 -0.32 -6.14 1.40 5.08 -0.96 -2.60 114.58 112.39 2aqt h GLU 82 Ca -0.48 0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 2aqt h GLU 82 Cb 1.24 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 2aqt h GLU 82 CO 0.60 -0.21 -0.25 -0.80 -1.00 0.00 0.00 179.01 177.34 2aqt s ASN 83 N -4.51 6.60 -1.53 1.42 0.01 0.03 -4.52 114.94 112.43 2aqt s ASN 83 Ca -0.11 0.75 -0.11 0.00 -0.71 0.00 0.00 52.86 52.68 2aqt s ASN 83 Cb 0.06 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 2aqt s ASN 83 CO 0.48 0.13 2.65 -0.81 -1.51 0.00 0.00 177.10 178.03 2aqt n PRO 84 N 0.65 3.55 -3.71 -0.60 -0.04 -1.24 -3.17 135.00 130.44 2aqt n PRO 84 Ca -0.06 -2.51 -0.12 0.00 -0.04 0.00 0.00 63.50 60.77 2aqt n PRO 84 Cb 0.52 -2.93 -0.10 0.00 -0.04 0.00 0.00 33.50 30.96 2aqt n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqt s SER 85 N 2.21 -0.50 -0.00 3.54 0.15 -1.26 -4.95 113.70 112.89 2aqt s SER 85 Ca 0.60 0.93 0.05 0.00 0.70 0.00 0.00 55.95 58.24 2aqt s SER 85 Cb 0.16 0.91 0.15 0.00 -1.71 0.00 0.00 66.02 65.53 2aqt s SER 85 CO -0.07 -0.17 1.12 0.00 1.20 0.00 0.00 173.24 175.33 2aqt s GLU 87 N -1.00 3.10 1.03 0.00 0.41 -1.26 -3.94 118.70 117.03 2aqt s GLU 87 Ca 0.11 1.00 -0.17 0.00 -0.41 0.00 0.00 54.97 55.50 2aqt s GLU 87 Cb 0.06 -2.01 0.22 0.00 -1.78 0.00 0.00 34.13 30.62 2aqt s GLU 87 CO 0.08 -0.97 1.27 -1.25 -0.49 0.00 0.00 175.26 173.89 2aqt s PRO 88 N -4.80 0.14 -0.12 0.39 0.04 -1.26 -0.11 135.00 129.29 2aqt s PRO 88 Ca 0.59 -0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.16 2aqt s PRO 88 Cb -0.14 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.66 2aqt s PRO 88 CO 0.50 -2.76 0.40 0.21 0.04 0.00 0.00 177.00 175.39 2aqt s LYS 89 N -5.77 0.54 0.07 4.56 2.47 -0.73 -4.23 119.74 116.66 2aqt s LYS 89 Ca 0.73 0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 55.22 2aqt s LYS 89 Cb -0.05 0.26 -0.08 0.00 -1.46 0.00 0.00 37.83 36.50 2aqt s LYS 89 CO 0.54 -0.10 1.56 -1.21 0.16 0.00 0.00 175.35 176.30 2aqt s GLU 90 N -0.19 4.23 -0.22 4.03 0.41 -1.26 -0.48 118.70 125.23 2aqt s GLU 90 Ca -0.03 2.23 -0.03 0.00 -0.41 0.00 0.00 54.97 56.72 2aqt s GLU 90 Cb -0.03 -3.49 0.10 0.00 -1.78 0.00 0.00 34.13 28.94 2aqt s GLU 90 CO 0.02 -0.65 0.24 -1.14 -0.49 0.00 0.00 175.26 173.24 2aqt s GLN 91 N 2.19 0.22 -1.13 1.61 0.74 0.13 -4.87 119.66 118.55 2aqt s GLN 91 Ca 0.70 0.17 -0.02 0.00 0.05 0.00 0.00 55.36 56.26 2aqt s GLN 91 Cb -0.38 -1.07 0.00 0.00 1.10 0.00 0.00 33.01 32.66 2aqt s GLN 91 CO 0.31 -0.71 0.95 0.39 -0.55 0.00 0.00 175.29 175.67 2aqt n GLU 92 N 5.32 -6.33 0.00 1.67 1.02 -1.26 -2.23 120.64 118.82 2aqt n GLU 92 Ca -0.05 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2aqt n GLU 92 Cb 0.49 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 2aqt n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqt n GLY 93 N -1.29 2.38 3.62 0.62 0.00 -1.26 -4.99 105.19 104.27 2aqt n GLY 93 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2aqt n GLY 93 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aqt s GLN 94 N 0.00 2.65 -0.87 1.61 2.00 -0.95 -5.05 119.66 119.06 2aqt s GLN 94 Ca 0.00 -0.66 -0.25 0.00 -2.00 0.00 0.00 55.36 52.45 2aqt s GLN 94 Cb 0.00 -2.57 0.03 0.00 0.80 0.00 0.00 33.01 31.27 2aqt s GLN 94 CO 0.00 0.62 1.44 -1.17 -0.50 0.00 0.00 175.29 175.68 2aqt s LEU 95 N -1.34 3.32 -0.16 3.68 2.96 -1.26 0.18 118.68 126.06 2aqt s LEU 95 Ca 0.17 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2aqt s LEU 95 Cb -0.11 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 2aqt s LEU 95 CO 0.07 -1.78 1.03 -0.89 -1.32 0.00 0.00 176.35 173.46 2aqt s THR 96 N 5.89 4.72 0.15 3.68 2.01 0.37 -4.78 115.64 127.67 2aqt s THR 96 Ca 0.44 2.02 -0.34 0.00 0.31 0.00 0.00 61.69 64.12 2aqt s THR 96 Cb -0.05 -4.30 -0.14 0.00 0.01 0.00 0.00 72.50 68.02 2aqt s THR 96 CO 0.03 -0.08 1.58 0.00 -0.69 0.00 0.00 174.62 175.46 2aqt n ALA 97 N 5.62 1.25 -0.84 7.40 0.00 -1.26 -1.78 120.51 130.90 2aqt n ALA 97 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2aqt n ALA 97 Cb 0.47 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2aqt n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqt n GLY 98 N 3.43 0.27 0.32 0.00 0.00 -1.25 -4.52 105.19 103.45 2aqt n GLY 98 Ca 0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 2aqt n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqt h LEU 99 N 0.00 0.00 -2.71 0.99 3.38 -1.53 -1.64 115.31 113.79 2aqt h LEU 99 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqt h LEU 99 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2aqt h LEU 99 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.75 2aqt h GLY 100 N 0.61 0.00 2.00 0.83 0.00 -0.68 -1.13 103.07 104.69 2aqt h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqt h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aqt n ALA 101 N -2.18 2.08 -0.15 3.60 0.00 -0.62 -4.61 120.51 118.63 2aqt n ALA 101 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2aqt n ALA 101 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2aqt n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqt n GLY 102 N 0.88 -1.43 0.85 0.00 0.00 -0.43 -0.79 105.19 104.26 2aqt n GLY 102 Ca 0.04 -1.28 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 2aqt n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 103 N 0.00 -0.34 3.72 -0.02 0.00 -1.26 -4.65 105.19 102.64 2aqt n GLY 103 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2aqt n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqt s HIS 104 N -1.12 2.96 -0.09 1.61 3.76 -1.26 -1.17 115.29 119.98 2aqt s HIS 104 Ca 0.16 0.46 -0.34 0.00 -0.15 0.00 0.00 55.06 55.18 2aqt s HIS 104 Cb -0.01 -4.06 -0.12 0.00 1.11 0.00 0.00 32.58 29.51 2aqt s HIS 104 CO 0.11 -3.97 1.89 1.87 -0.85 0.00 0.00 174.74 173.79 2aqt n TRP 105 N 3.94 2.34 -3.19 1.40 -0.00 0.09 -4.62 117.44 117.40 2aqt n TRP 105 Ca 0.15 -0.02 -0.21 0.00 -0.00 0.00 0.00 57.50 57.42 2aqt n TRP 105 Cb 0.36 -2.67 -0.05 0.00 -0.00 0.00 0.00 31.31 28.96 2aqt n TRP 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2aqt n ASP 106 N 6.69 0.56 0.33 5.87 2.03 -1.26 -1.43 116.55 129.34 2aqt n ASP 106 Ca 0.23 -2.86 0.21 0.00 0.52 0.00 0.00 54.79 52.88 2aqt n ASP 106 Cb 0.30 -0.63 1.14 0.00 -0.72 0.00 0.00 41.12 41.21 2aqt n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqt h PRO 107 N 3.49 0.00 -0.55 -0.67 0.13 -1.98 -2.02 132.00 130.39 2aqt h PRO 107 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2aqt h PRO 107 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2aqt h PRO 107 CO 0.49 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.89 2aqt n LYS 108 N -3.21 2.61 -3.66 0.86 5.02 -1.26 -4.99 118.16 113.53 2aqt n LYS 108 Ca -0.03 -2.46 -0.25 0.00 -2.02 0.00 0.00 58.31 53.56 2aqt n LYS 108 Cb 0.09 -1.53 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 2aqt n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqt n GLY 109 N 1.53 -0.51 0.20 0.72 0.00 -0.76 -4.89 105.19 101.47 2aqt n GLY 109 Ca 0.21 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.47 2aqt n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqt h ALA 110 N 0.99 1.32 -5.18 4.61 0.00 -1.87 -3.47 119.26 115.67 2aqt h ALA 110 Ca -0.58 -0.34 -0.40 0.00 0.00 0.00 0.00 54.91 53.60 2aqt h ALA 110 Cb 1.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2aqt h ALA 110 CO 0.58 0.48 -0.61 1.63 0.00 0.00 0.00 179.25 181.34 2aqt n LYS 111 N -4.11 -4.50 -3.61 0.00 5.02 -1.26 -4.87 118.16 104.83 2aqt n LYS 111 Ca -0.02 0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 56.85 2aqt n LYS 111 Cb 0.40 -5.50 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 2aqt n LYS 111 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aqt s GLN 112 N -5.98 0.64 0.11 1.97 -2.07 -1.26 -5.06 119.66 108.01 2aqt s GLN 112 Ca 0.40 0.50 -0.23 0.00 -1.82 0.00 0.00 55.36 54.21 2aqt s GLN 112 Cb -0.20 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 31.96 2aqt s GLN 112 CO 0.50 -0.13 0.70 -1.58 -1.32 0.00 0.00 175.29 173.46 2aqt s HIS 113 N -0.25 3.85 0.00 9.60 5.65 -1.26 -1.30 115.29 131.57 2aqt s HIS 113 Ca -0.00 1.48 0.00 0.00 0.25 0.00 0.00 55.06 56.79 2aqt s HIS 113 Cb -0.03 -2.69 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 2aqt s HIS 113 CO -0.01 0.50 0.00 0.41 -0.65 0.00 0.00 174.74 174.99 2aqt n GLY 114 N 1.78 3.60 3.88 1.59 0.00 -1.26 -4.03 105.19 110.74 2aqt n GLY 114 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 2aqt n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqt s TYR 115 N -1.71 3.61 0.32 1.61 2.02 -1.25 -4.61 117.35 117.33 2aqt s TYR 115 Ca 0.00 1.20 0.31 0.00 -0.37 0.00 0.00 57.07 58.21 2aqt s TYR 115 Cb 0.00 -2.66 1.48 0.00 -0.40 0.00 0.00 41.96 40.38 2aqt s TYR 115 CO 0.00 -0.63 2.05 -1.35 -1.57 0.00 0.00 175.55 174.05 2aqt h PRO 116 N -0.23 0.00 -0.50 -1.71 0.11 -1.86 -2.48 132.00 125.32 2aqt h PRO 116 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2aqt h PRO 116 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aqt h PRO 116 CO 0.62 0.09 0.00 -2.67 -0.21 0.00 0.00 178.00 175.83 2aqt n TRP 117 N -3.37 1.55 -3.81 0.65 2.14 -1.26 -4.23 117.44 109.11 2aqt n TRP 117 Ca -0.01 -0.73 -0.36 0.00 2.07 0.00 0.00 57.50 58.47 2aqt n TRP 117 Cb 0.27 -0.37 -0.13 0.00 -0.81 0.00 0.00 31.31 30.27 2aqt n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqt s GLN 118 N -2.46 3.64 0.29 -2.67 0.74 -0.94 -5.02 119.66 113.25 2aqt s GLN 118 Ca 0.49 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.43 2aqt s GLN 118 Cb 0.36 -3.27 0.45 0.00 1.10 0.00 0.00 33.01 31.65 2aqt s GLN 118 CO 0.16 -0.15 1.77 -0.44 -0.55 0.00 0.00 175.29 176.09 2aqt h ASP 119 N 8.09 0.55 -1.78 6.67 3.32 -1.91 -3.22 116.42 128.15 2aqt h ASP 119 Ca -0.38 -0.15 -0.72 0.00 0.02 0.00 0.00 57.03 55.80 2aqt h ASP 119 Cb 1.17 -0.15 -0.24 0.00 0.22 0.00 0.00 39.33 40.34 2aqt h ASP 119 CO 0.59 0.71 1.04 -0.90 -1.72 0.00 0.00 179.24 178.96 2aqt n ASP 120 N -4.19 7.32 -4.11 6.45 3.85 -1.26 -4.89 116.55 119.73 2aqt n ASP 120 Ca 0.01 -3.61 -0.08 0.00 -0.71 0.00 0.00 54.79 50.40 2aqt n ASP 120 Cb 0.33 -1.15 -0.10 0.00 -1.35 0.00 0.00 41.12 38.85 2aqt n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqt s ALA 121 N -3.36 0.64 0.04 2.12 0.00 -1.22 -4.72 121.76 115.25 2aqt s ALA 121 Ca 0.51 -1.20 -0.38 0.00 0.00 0.00 0.00 51.96 50.89 2aqt s ALA 121 Cb 0.35 0.22 -0.18 0.00 0.00 0.00 0.00 23.12 23.51 2aqt s ALA 121 CO -0.28 -0.30 1.30 0.72 0.00 0.00 0.00 175.76 177.19 2aqt n HIS 122 N 0.20 1.32 0.32 0.00 8.25 -0.42 -4.78 115.22 120.10 2aqt n HIS 122 Ca -0.14 0.75 0.20 0.00 -0.26 0.00 0.00 57.72 58.27 2aqt n HIS 122 Cb 0.60 -2.27 1.05 0.00 1.12 0.00 0.00 29.99 30.49 2aqt n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqt h LEU 123 N 4.30 0.00 -0.44 2.41 5.85 -1.89 -1.74 115.31 123.80 2aqt h LEU 123 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2aqt h LEU 123 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2aqt h LEU 123 CO 0.76 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.48 2aqt n GLY 124 N -0.88 -0.51 3.58 3.75 0.00 -0.51 -4.81 105.19 105.80 2aqt n GLY 124 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2aqt n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqt s ASP 125 N -1.68 6.31 0.37 1.61 1.01 -0.66 -0.64 116.67 122.99 2aqt s ASP 125 Ca 0.33 0.19 0.07 0.00 0.71 0.00 0.00 52.55 53.85 2aqt s ASP 125 Cb 0.16 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 2aqt s ASP 125 CO 0.26 -1.58 0.51 -0.76 0.21 0.00 0.00 175.17 173.81 2aqt s LEU 126 N 5.42 3.86 0.66 1.23 1.43 -0.99 -4.03 118.68 126.25 2aqt s LEU 126 Ca 0.47 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 2aqt s LEU 126 Cb -0.09 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2aqt s LEU 126 CO 0.25 -0.56 1.18 -2.84 0.23 0.00 0.00 176.35 174.61 2aqt s PRO 127 N -4.24 2.62 0.49 1.29 0.02 -1.26 -4.63 135.00 129.29 2aqt s PRO 127 Ca 0.49 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.96 2aqt s PRO 127 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 2aqt s PRO 127 CO 0.32 -1.45 1.27 0.00 -0.33 0.00 0.00 177.00 176.81 2aqt s ALA 128 N -1.95 2.93 0.10 -1.55 0.00 -1.26 -4.52 121.76 115.51 2aqt s ALA 128 Ca 0.73 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 2aqt s ALA 128 Cb -0.27 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 2aqt s ALA 128 CO 0.40 -1.00 0.66 -1.17 0.00 0.00 0.00 175.76 174.64 2aqt s LEU 129 N -3.19 4.54 -0.24 0.00 2.96 -0.34 -4.86 118.68 117.55 2aqt s LEU 129 Ca 0.66 1.41 -0.08 0.00 -0.22 0.00 0.00 54.13 55.91 2aqt s LEU 129 Cb -0.35 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 2aqt s LEU 129 CO 0.42 0.22 0.08 -0.89 -1.32 0.00 0.00 176.35 174.86 2aqt s THR 130 N -0.99 4.45 -0.21 3.68 2.01 -1.26 -0.63 115.64 122.68 2aqt s THR 130 Ca 0.32 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2aqt s THR 130 Cb -0.21 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2aqt s THR 130 CO 0.22 0.35 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 2aqt s VAL 131 N 1.44 3.59 1.00 3.82 1.01 -0.30 -4.39 120.40 126.57 2aqt s VAL 131 Ca 0.06 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2aqt s VAL 131 Cb -0.15 -2.63 0.19 0.00 0.00 0.00 0.00 36.38 33.80 2aqt s VAL 131 CO 0.04 0.42 1.18 -0.76 0.00 0.00 0.00 175.10 175.98 2aqt s LEU 132 N 1.27 1.84 0.44 3.92 1.43 0.02 -0.81 118.68 126.80 2aqt s LEU 132 Ca 0.03 0.69 0.18 0.00 -1.03 0.00 0.00 54.13 54.00 2aqt s LEU 132 Cb -0.14 -2.78 1.12 0.00 0.03 0.00 0.00 46.19 44.42 2aqt s LEU 132 CO -0.01 -3.02 1.92 -0.74 0.23 0.00 0.00 176.35 174.73 2aqt h HIS 133 N -1.83 0.41 -0.11 0.29 -0.00 -1.97 0.65 115.15 112.58 2aqt h HIS 133 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2aqt h HIS 133 Cb 1.30 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2aqt h HIS 133 CO -0.74 0.15 0.00 -0.40 -0.00 0.00 0.00 177.93 176.94 2aqt n ASP 134 N -4.46 0.62 0.00 3.26 3.85 -1.26 -4.80 116.55 113.76 2aqt n ASP 134 Ca 0.15 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.29 2aqt n ASP 134 Cb 0.58 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.28 2aqt n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqt n GLY 135 N 0.72 0.66 3.94 6.12 0.00 0.22 -4.67 105.19 112.17 2aqt n GLY 135 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2aqt n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqt s THR 136 N -2.65 5.24 -0.12 2.61 -4.23 -1.26 -2.23 115.64 113.00 2aqt s THR 136 Ca 0.00 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 2aqt s THR 136 Cb 0.00 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.14 2aqt s THR 136 CO 0.00 -0.16 0.02 0.00 -0.54 0.00 0.00 174.62 173.94 2aqt s ALA 137 N -1.82 0.76 0.00 3.99 0.00 -0.81 -0.80 121.76 123.08 2aqt s ALA 137 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2aqt s ALA 137 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2aqt s ALA 137 CO 0.28 -0.75 0.24 0.25 0.00 0.00 0.00 175.76 175.78 2aqt n THR 138 N 5.13 0.03 -2.72 0.00 -2.24 -1.25 -1.54 114.28 111.69 2aqt n THR 138 Ca -0.07 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 2aqt n THR 138 Cb 0.49 1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 70.23 2aqt n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqt s ASN 139 N -0.03 7.03 0.51 3.42 3.04 -1.26 -4.55 114.94 123.10 2aqt s ASN 139 Ca 0.00 1.28 -0.19 0.00 0.04 0.00 0.00 52.86 53.99 2aqt s ASN 139 Cb 0.00 -2.51 -0.07 0.00 -1.54 0.00 0.00 41.25 37.12 2aqt s ASN 139 CO 0.00 -0.64 1.05 -2.16 -3.04 0.00 0.00 177.10 172.31 2aqt s PRO 140 N 3.13 3.68 0.04 0.43 0.04 -1.26 -4.45 135.00 136.61 2aqt s PRO 140 Ca 0.42 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.83 2aqt s PRO 140 Cb -0.15 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2aqt s PRO 140 CO 0.07 -0.53 -0.10 0.14 0.04 0.00 0.00 177.00 176.62 2aqt s VAL 141 N -2.07 0.76 -0.09 -0.36 -7.23 -0.61 -4.97 120.40 105.83 2aqt s VAL 141 Ca 0.67 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 2aqt s VAL 141 Cb -0.17 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 2aqt s VAL 141 CO 0.24 -0.20 0.07 -0.22 -0.31 0.00 0.00 175.10 174.67 2aqt s LEU 142 N -1.32 3.94 -0.59 1.32 2.96 -1.26 -0.82 118.68 122.91 2aqt s LEU 142 Ca -0.04 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 2aqt s LEU 142 Cb -0.08 -1.96 0.15 0.00 0.50 0.00 0.00 46.19 44.79 2aqt s LEU 142 CO 0.01 0.38 0.36 0.00 -1.32 0.00 0.00 176.35 175.78 2aqt s ALA 143 N -0.97 3.48 0.56 5.97 0.00 -0.32 -4.55 121.76 125.93 2aqt s ALA 143 Ca 0.15 -3.35 0.26 0.00 0.00 0.00 0.00 51.96 49.02 2aqt s ALA 143 Cb -0.12 -2.36 1.51 0.00 0.00 0.00 0.00 23.12 22.15 2aqt s ALA 143 CO 0.04 -2.06 2.05 -1.00 0.00 0.00 0.00 175.76 174.79 2aqt h PRO 144 N 6.56 0.00 0.00 0.00 0.13 -1.78 -2.16 132.00 134.75 2aqt h PRO 144 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2aqt h PRO 144 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2aqt h PRO 144 CO 0.71 0.00 -0.08 0.54 -0.23 0.00 0.00 178.00 178.94 2aqt n ARG 145 N -4.07 0.11 -3.57 0.86 1.74 -1.26 -4.55 116.66 105.91 2aqt n ARG 145 Ca 0.04 0.08 -0.37 0.00 -0.77 0.00 0.00 57.85 56.83 2aqt n ARG 145 Cb 0.43 -1.62 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 2aqt n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqt s LEU 146 N -3.59 4.09 -0.17 0.55 1.43 -0.82 -5.00 118.68 115.17 2aqt s LEU 146 Ca 0.12 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2aqt s LEU 146 Cb 0.16 -2.21 -0.14 0.00 0.03 0.00 0.00 46.19 44.03 2aqt s LEU 146 CO 0.58 -0.01 -0.09 0.29 0.23 0.00 0.00 176.35 177.35 2aqt n LYS 147 N 4.60 0.89 -4.74 1.70 4.76 -1.26 -1.07 118.16 123.05 2aqt n LYS 147 Ca -0.13 0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.12 2aqt n LYS 147 Cb 0.52 -1.37 -0.15 0.00 -1.84 0.00 0.00 35.03 32.19 2aqt n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqt s HIS 148 N -2.36 1.74 0.20 2.13 3.76 -1.26 -4.68 115.29 114.82 2aqt s HIS 148 Ca -0.18 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 2aqt s HIS 148 Cb 0.06 -1.07 0.24 0.00 1.11 0.00 0.00 32.58 32.92 2aqt s HIS 148 CO 0.49 0.04 1.73 -0.07 -0.85 0.00 0.00 174.74 176.08 2aqt h LEU 149 N 5.18 0.13 -2.22 0.89 3.38 -1.96 -1.43 115.31 119.29 2aqt h LEU 149 Ca -0.40 0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2aqt h LEU 149 Cb 1.15 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2aqt h LEU 149 CO 0.45 0.09 0.17 0.44 0.09 0.00 0.00 178.44 179.68 2aqt h ASP 150 N 0.33 0.00 0.11 -0.43 3.45 -1.97 -1.72 116.42 116.20 2aqt h ASP 150 Ca 0.28 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.71 2aqt h ASP 150 Cb 0.36 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 2aqt h ASP 150 CO -0.32 0.00 -0.14 0.44 -1.57 0.00 0.00 179.24 177.65 2aqt h ASP 151 N 0.00 0.07 0.06 6.45 3.45 -1.68 -2.83 116.42 121.94 2aqt h ASP 151 Ca 0.08 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2aqt h ASP 151 Cb 0.42 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 2aqt h ASP 151 CO -0.00 0.22 -0.42 1.33 -1.57 0.00 0.00 179.24 178.80 2aqt n VAL 152 N -4.33 0.00 -2.15 -1.35 0.24 -0.65 -4.94 118.33 105.15 2aqt n VAL 152 Ca -0.02 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 61.69 2aqt n VAL 152 Cb 0.24 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 2aqt n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqt s ARG 153 N -2.50 3.68 0.00 7.34 0.52 -1.07 -3.17 118.95 123.75 2aqt s ARG 153 Ca 0.20 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 2aqt s ARG 153 Cb 0.18 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2aqt s ARG 153 CO 0.56 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2aqt n GLY 154 N 0.54 0.53 0.83 -3.53 0.00 -0.30 -5.02 105.19 98.24 2aqt n GLY 154 Ca 0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 2aqt n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqt n HIS 155 N -2.77 -0.09 -4.32 1.61 8.25 -1.19 -3.68 115.22 113.03 2aqt n HIS 155 Ca 0.00 -0.69 -0.17 0.00 -0.26 0.00 0.00 57.72 56.60 2aqt n HIS 155 Cb 0.00 0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 2aqt n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqt s SER 156 N -1.61 2.19 -0.12 0.41 1.04 -0.98 -0.17 113.70 114.46 2aqt s SER 156 Ca 0.08 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.46 2aqt s SER 156 Cb 0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2aqt s SER 156 CO 0.06 -0.30 -0.18 -0.51 0.98 0.00 0.00 173.24 173.28 2aqt s ILE 157 N -3.18 2.54 -0.05 -1.02 2.07 0.21 0.16 121.20 121.93 2aqt s ILE 157 Ca 0.22 -0.84 0.06 0.00 -1.41 0.00 0.00 60.65 58.67 2aqt s ILE 157 Cb 0.02 -2.03 -0.02 0.00 0.13 0.00 0.00 42.46 40.57 2aqt s ILE 157 CO 0.05 0.54 -0.23 -0.32 -1.91 0.00 0.00 174.94 173.08 2aqt s MET 158 N 0.41 2.52 -0.15 3.50 -2.45 0.14 -1.54 119.30 121.74 2aqt s MET 158 Ca -0.14 -0.86 0.01 0.00 -1.25 0.00 0.00 55.69 53.45 2aqt s MET 158 Cb -0.17 -2.21 0.00 0.00 1.25 0.00 0.00 34.83 33.70 2aqt s MET 158 CO 0.06 0.44 -0.18 0.42 1.05 0.00 0.00 175.02 176.82 2aqt s ILE 159 N -0.30 2.45 0.34 10.11 1.01 0.34 -1.89 121.20 133.26 2aqt s ILE 159 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2aqt s ILE 159 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2aqt s ILE 159 CO 0.02 0.53 0.52 -1.00 0.00 0.00 0.00 174.94 175.01 2aqt s HIS 160 N 0.80 3.43 0.21 3.97 3.76 -0.25 -0.91 115.29 126.30 2aqt s HIS 160 Ca -0.06 0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 2aqt s HIS 160 Cb -0.15 -1.89 0.19 0.00 1.11 0.00 0.00 32.58 31.84 2aqt s HIS 160 CO -0.00 0.12 1.57 1.15 -0.85 0.00 0.00 174.74 176.73 2aqt h THR 161 N 0.80 1.30 -4.38 1.30 2.02 -1.25 -3.36 112.91 109.34 2aqt h THR 161 Ca -0.49 -1.60 -0.24 0.00 0.77 0.00 0.00 66.41 64.84 2aqt h THR 161 Cb 1.23 1.58 0.05 0.00 -1.74 0.00 0.00 68.15 69.26 2aqt h THR 161 CO 0.60 0.51 0.07 0.61 0.37 0.00 0.00 175.52 177.67 2aqt n GLY 162 N 0.03 0.61 0.00 2.16 0.00 0.26 -4.90 105.19 103.36 2aqt n GLY 162 Ca -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2aqt n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 163 N 0.98 1.35 3.15 -0.02 0.00 -1.24 -0.34 105.19 109.06 2aqt n GLY 163 Ca 0.09 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.52 2aqt n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqt s ASP 164 N -1.00 -1.18 0.00 1.61 -1.08 -1.25 -3.00 116.67 110.76 2aqt s ASP 164 Ca 0.00 0.70 0.18 0.00 -0.52 0.00 0.00 52.55 52.91 2aqt s ASP 164 Cb 0.00 1.98 0.50 0.00 -1.46 0.00 0.00 42.92 43.94 2aqt s ASP 164 CO 0.00 -0.22 1.41 -0.46 0.52 0.00 0.00 175.17 176.42 2aqt n ASN 165 N 5.44 2.65 -3.61 -0.34 6.94 -0.99 -4.89 115.26 120.44 2aqt n ASN 165 Ca -0.02 -1.95 -0.20 0.00 -0.02 0.00 0.00 54.58 52.39 2aqt n ASN 165 Cb 0.52 -0.29 0.05 0.00 -2.36 0.00 0.00 39.78 37.71 2aqt n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqt n HIS 166 N 0.95 -2.08 -3.56 -2.53 8.25 -1.26 -4.97 115.22 110.02 2aqt n HIS 166 Ca 0.17 0.89 -0.08 0.00 -0.26 0.00 0.00 57.72 58.44 2aqt n HIS 166 Cb 0.44 -4.65 -0.02 0.00 1.12 0.00 0.00 29.99 26.88 2aqt n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqt s SER 167 N -4.26 -0.36 -0.05 0.41 0.15 -1.26 -3.89 113.70 104.45 2aqt s SER 167 Ca 0.06 -0.13 0.19 0.00 0.70 0.00 0.00 55.95 56.77 2aqt s SER 167 Cb -0.03 0.47 0.62 0.00 -1.71 0.00 0.00 66.02 65.38 2aqt s SER 167 CO 0.78 -0.80 1.52 0.47 1.20 0.00 0.00 173.24 176.41 2aqt n ASP 168 N -0.33 3.96 -3.95 5.45 8.00 -1.26 -0.41 116.55 128.01 2aqt n ASP 168 Ca -0.10 -2.20 -0.20 0.00 0.71 0.00 0.00 54.79 53.00 2aqt n ASP 168 Cb 0.62 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 2aqt n ASP 168 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2aqt s HIS 169 N -1.46 0.89 -0.60 1.24 2.46 -1.26 -3.25 115.29 113.31 2aqt s HIS 169 Ca 0.45 -0.25 0.25 0.00 0.47 0.00 0.00 55.06 55.98 2aqt s HIS 169 Cb 0.26 -0.70 0.68 0.00 -0.13 0.00 0.00 32.58 32.69 2aqt s HIS 169 CO 0.26 -0.16 1.72 -1.00 -2.47 0.00 0.00 174.74 173.10 2aqt h PRO 170 N 6.80 0.00 -5.70 2.88 0.13 -1.97 -3.49 132.00 130.65 2aqt h PRO 170 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 2aqt h PRO 170 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 2aqt h PRO 170 CO 0.48 0.00 -0.73 0.00 -0.23 0.00 0.00 178.00 177.53 2aqt s ALA 171 N -3.16 2.80 0.63 -0.56 0.00 -1.25 -5.09 121.76 115.13 2aqt s ALA 171 Ca 0.09 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 2aqt s ALA 171 Cb 0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2aqt s ALA 171 CO 0.61 0.38 1.26 -1.25 0.00 0.00 0.00 175.76 176.76 2aqt s PRO 172 N -0.14 2.72 -1.64 0.00 0.04 -1.20 -3.00 135.00 131.77 2aqt s PRO 172 Ca 0.00 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 2aqt s PRO 172 Cb -0.13 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2aqt s PRO 172 CO 0.03 -1.44 0.10 1.28 0.04 0.00 0.00 177.00 177.01 2aqt n LEU 173 N -1.80 -1.94 0.00 -3.56 4.77 -1.25 -1.90 117.00 111.32 2aqt n LEU 173 Ca 0.15 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2aqt n LEU 173 Cb 0.49 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2aqt n LEU 173 CO 0.46 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2aqt n GLY 174 N -1.07 1.48 1.95 -0.72 0.00 0.45 -3.37 105.19 103.92 2aqt n GLY 174 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2aqt n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 175 N -2.00 0.40 0.22 -0.02 0.00 -0.80 -2.36 105.19 100.64 2aqt n GLY 175 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2aqt n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqt h GLY 176 N 0.00 0.38 0.00 -0.02 0.00 -1.56 -3.34 103.07 98.53 2aqt h GLY 176 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2aqt h GLY 176 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.44 2aqt n GLY 177 N -0.40 0.66 3.55 4.60 0.00 -1.26 -0.57 105.19 111.77 2aqt n GLY 177 Ca -0.01 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2aqt n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqt n PRO 178 N 2.43 1.03 -2.76 1.61 -0.02 -1.26 -4.73 135.00 131.30 2aqt n PRO 178 Ca 0.00 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 2aqt n PRO 178 Cb 0.00 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2aqt n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqt s ARG 179 N -1.78 4.00 -0.23 -0.52 0.52 -1.26 -1.30 118.95 118.37 2aqt s ARG 179 Ca 0.63 0.85 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 2aqt s ARG 179 Cb -0.60 -3.74 -0.19 0.00 0.52 0.00 0.00 34.95 30.93 2aqt s ARG 179 CO 0.57 -0.83 -0.11 -0.12 0.02 0.00 0.00 175.30 174.83 2aqt n MET 180 N 6.63 0.67 -3.99 3.54 1.56 -0.09 -4.77 117.12 120.66 2aqt n MET 180 Ca 0.09 0.14 -0.08 0.00 -0.27 0.00 0.00 57.70 57.58 2aqt n MET 180 Cb 0.47 -1.55 -0.10 0.00 2.15 0.00 0.00 33.22 34.20 2aqt n MET 180 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2aqt s ALA 181 N -2.52 0.16 0.05 -5.12 0.00 -0.45 -0.91 121.76 112.97 2aqt s ALA 181 Ca -0.30 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 50.62 2aqt s ALA 181 Cb 0.08 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.51 2aqt s ALA 181 CO 0.65 -0.30 0.68 0.00 0.00 0.00 0.00 175.76 176.79 2aqt s GLY 183 N -2.05 -0.28 -0.08 0.00 0.00 -0.59 -1.36 107.32 102.97 2aqt s GLY 183 Ca -0.03 0.85 -0.19 0.00 0.00 0.00 0.00 44.72 45.35 2aqt s GLY 183 CO -0.03 0.65 0.54 0.14 0.00 0.00 0.00 173.10 174.40 2aqt s VAL 184 N -0.54 5.09 -0.37 1.40 1.01 -1.26 -0.62 120.40 125.11 2aqt s VAL 184 Ca -0.07 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.78 2aqt s VAL 184 Cb -0.04 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2aqt s VAL 184 CO 0.03 0.35 0.81 -0.63 0.00 0.00 0.00 175.10 175.66 2aqt s ILE 185 N 0.37 4.70 -2.31 2.22 1.01 0.76 -4.64 121.20 123.31 2aqt s ILE 185 Ca 0.29 0.89 0.30 0.00 0.00 0.00 0.00 60.65 62.12 2aqt s ILE 185 Cb -0.16 -4.24 0.69 0.00 0.01 0.00 0.00 42.46 38.75 2aqt s ILE 185 CO 0.13 -0.49 1.93 0.29 0.00 0.00 0.00 174.94 176.81