#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqr s SER 33 N 0.00 -0.36 -0.10 0.00 1.04 -1.26 -4.33 113.70 108.70 2aqr s SER 33 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2aqr s SER 33 Cb 0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2aqr s SER 33 CO 0.00 -1.13 -0.09 -0.63 0.98 0.00 0.00 173.24 172.36 2aqr s ILE 34 N -3.85 1.08 -0.33 -1.02 1.01 -0.28 -4.96 121.20 112.85 2aqr s ILE 34 Ca 0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2aqr s ILE 34 Cb -0.03 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2aqr s ILE 34 CO -0.02 0.37 0.22 -0.70 0.00 0.00 0.00 174.94 174.80 2aqr s GLU 35 N 1.35 3.46 -0.25 2.79 2.12 -1.26 -0.37 118.70 126.54 2aqr s GLU 35 Ca -0.02 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.55 2aqr s GLU 35 Cb -0.14 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2aqr s GLU 35 CO -0.04 -0.44 0.15 0.08 -0.54 0.00 0.00 175.26 174.47 2aqr s VAL 36 N 1.70 5.23 -0.17 3.70 1.01 0.42 -4.92 120.40 127.36 2aqr s VAL 36 Ca 0.06 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2aqr s VAL 36 Cb -0.17 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 2aqr s VAL 36 CO 0.09 0.33 1.00 -0.75 0.00 0.00 0.00 175.10 175.77 2aqr s LYS 37 N 1.21 4.33 -0.07 2.72 2.20 -1.26 -1.30 119.74 127.57 2aqr s LYS 37 Ca 0.07 1.32 -0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2aqr s LYS 37 Cb -0.14 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2aqr s LYS 37 CO 0.06 -0.46 -0.03 0.08 -0.36 0.00 0.00 175.35 174.64 2aqr s VAL 38 N 2.56 4.07 0.04 4.02 1.01 -0.23 -4.26 120.40 127.59 2aqr s VAL 38 Ca 0.45 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2aqr s VAL 38 Cb -0.17 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2aqr s VAL 38 CO 0.12 0.58 -0.10 -1.10 0.00 0.00 0.00 175.10 174.60 2aqr s GLN 39 N -0.92 0.70 0.16 2.72 -0.21 -0.55 -1.99 119.66 119.56 2aqr s GLN 39 Ca 0.14 -0.68 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 2aqr s GLN 39 Cb -0.11 -0.62 -0.07 0.00 1.00 0.00 0.00 33.01 33.21 2aqr s GLN 39 CO 0.03 0.15 1.11 -1.14 -2.12 0.00 0.00 175.29 173.32 2aqr s GLN 40 N -1.16 4.57 -0.14 2.91 0.74 0.32 -1.40 119.66 125.50 2aqr s GLN 40 Ca -0.03 1.72 -0.25 0.00 0.05 0.00 0.00 55.36 56.86 2aqr s GLN 40 Cb -0.08 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 2aqr s GLN 40 CO 0.01 0.02 0.81 -0.51 -0.55 0.00 0.00 175.29 175.08 2aqr s LEU 41 N -0.16 4.22 -0.35 3.68 1.43 0.02 -1.28 118.68 126.23 2aqr s LEU 41 Ca 0.51 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2aqr s LEU 41 Cb -0.29 -3.22 0.14 0.00 0.03 0.00 0.00 46.19 42.85 2aqr s LEU 41 CO 0.34 -0.33 0.28 -0.62 0.23 0.00 0.00 176.35 176.25 2aqr s ASP 42 N 1.08 2.17 0.61 2.29 -1.08 -1.26 -4.96 116.67 115.53 2aqr s ASP 42 Ca 0.39 -1.77 0.38 0.00 -0.52 0.00 0.00 52.55 51.03 2aqr s ASP 42 Cb -0.17 0.07 2.01 0.00 -1.46 0.00 0.00 42.92 43.36 2aqr s ASP 42 CO 0.15 -0.30 2.24 -0.65 0.52 0.00 0.00 175.17 177.12 2aqr h PRO 43 N 7.22 0.00 0.00 4.34 0.11 -1.91 0.23 132.00 141.99 2aqr h PRO 43 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2aqr h PRO 43 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2aqr h PRO 43 CO 0.25 0.02 -0.23 0.28 -0.21 0.00 0.00 178.00 178.12 2aqr h VAL 44 N 0.00 0.68 -0.33 3.15 2.07 -1.94 -3.41 116.25 116.47 2aqr h VAL 44 Ca -0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2aqr h VAL 44 Cb 0.15 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2aqr h VAL 44 CO 0.00 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.41 2aqr n ASN 45 N -4.66 2.88 0.00 0.57 5.03 -1.22 -5.09 115.26 112.77 2aqr n ASN 45 Ca -0.08 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.38 2aqr n ASN 45 Cb 0.27 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 2aqr n ASN 45 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aqr n GLY 46 N 0.49 2.21 3.76 7.41 0.00 0.07 -5.03 105.19 114.11 2aqr n GLY 46 Ca 0.11 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 2aqr n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqr s ASN 47 N 0.00 5.56 -0.04 1.61 0.01 -1.24 -4.31 114.94 116.54 2aqr s ASN 47 Ca 0.00 2.34 0.06 0.00 -0.71 0.00 0.00 52.86 54.55 2aqr s ASN 47 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2aqr s ASN 47 CO 0.00 -1.34 -0.22 -0.54 -1.51 0.00 0.00 177.10 173.49 2aqr s LYS 48 N -3.15 2.10 0.27 -0.60 -0.14 -0.41 -4.91 119.74 112.91 2aqr s LYS 48 Ca 0.73 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 54.24 2aqr s LYS 48 Cb -0.29 -1.87 -0.10 0.00 -1.68 0.00 0.00 37.83 33.89 2aqr s LYS 48 CO 0.33 0.38 1.42 -0.51 -0.76 0.00 0.00 175.35 176.21 2aqr s ASP 49 N -0.24 6.65 0.00 2.83 1.01 -1.26 0.12 116.67 125.77 2aqr s ASP 49 Ca 0.01 2.70 0.00 0.00 0.71 0.00 0.00 52.55 55.97 2aqr s ASP 49 Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aqr s ASP 49 CO 0.02 -0.69 0.38 1.33 0.21 0.00 0.00 175.17 176.42 2aqr n VAL 50 N 1.89 0.12 0.00 -1.27 0.24 -0.84 -4.79 118.33 113.68 2aqr n VAL 50 Ca 0.05 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2aqr n VAL 50 Cb 0.40 1.31 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2aqr n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqr n GLY 51 N -0.06 0.56 3.25 7.63 0.00 -1.22 -0.93 105.19 114.43 2aqr n GLY 51 Ca 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 2aqr n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqr s THR 52 N -1.69 0.27 -0.06 2.61 -4.23 -0.87 -1.07 115.64 110.60 2aqr s THR 52 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2aqr s THR 52 Cb 0.00 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.34 2aqr s THR 52 CO 0.00 -0.04 0.02 -0.69 -0.54 0.00 0.00 174.62 173.37 2aqr s VAL 53 N -3.96 0.18 -0.18 2.29 1.01 -0.42 -1.07 120.40 118.26 2aqr s VAL 53 Ca 0.37 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 2aqr s VAL 53 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2aqr s VAL 53 CO 0.12 0.22 0.05 -0.89 0.00 0.00 0.00 175.10 174.60 2aqr s THR 54 N 1.93 4.66 -0.19 3.92 2.01 0.04 -0.44 115.64 127.57 2aqr s THR 54 Ca 0.03 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 2aqr s THR 54 Cb -0.12 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2aqr s THR 54 CO -0.04 0.47 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 2aqr s ILE 55 N 0.34 4.15 0.25 1.82 1.01 0.51 -0.49 121.20 128.78 2aqr s ILE 55 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2aqr s ILE 55 Cb -0.13 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2aqr s ILE 55 CO 0.00 0.44 0.03 0.42 0.00 0.00 0.00 174.94 175.84 2aqr s THR 56 N 0.77 0.95 -0.06 2.92 -4.23 -0.54 -1.13 115.64 114.32 2aqr s THR 56 Ca 0.01 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2aqr s THR 56 Cb -0.14 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 2aqr s THR 56 CO 0.02 -0.19 0.07 -1.61 -0.54 0.00 0.00 174.62 172.37 2aqr s GLU 57 N -3.91 3.13 0.33 3.99 2.02 -1.26 -0.36 118.70 122.64 2aqr s GLU 57 Ca 0.32 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.97 2aqr s GLU 57 Cb 0.07 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 2aqr s GLU 57 CO 0.11 0.70 0.07 -1.54 0.02 0.00 0.00 175.26 174.61 2aqr s SER 58 N -1.31 2.31 0.00 -0.19 1.04 -0.53 -4.90 113.70 110.12 2aqr s SER 58 Ca 0.18 -1.40 0.19 0.00 0.48 0.00 0.00 55.95 55.40 2aqr s SER 58 Cb -0.12 -0.02 1.14 0.00 0.10 0.00 0.00 66.02 67.12 2aqr s SER 58 CO 0.08 -0.64 1.55 0.59 0.98 0.00 0.00 173.24 175.80 2aqr n ASN 59 N -0.71 0.00 0.00 7.02 3.02 -1.26 -2.62 115.26 120.71 2aqr n ASN 59 Ca -0.02 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 2aqr n ASN 59 Cb 0.66 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2aqr n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqr n TYR 60 N -1.03 0.00 0.00 3.10 4.01 -1.26 -5.12 117.16 116.86 2aqr n TYR 60 Ca 0.14 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2aqr n TYR 60 Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2aqr n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqr n GLY 61 N -0.35 1.25 3.75 2.72 0.00 -1.08 -4.15 105.19 107.32 2aqr n GLY 61 Ca 0.00 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2aqr n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 62 N 0.00 4.51 -0.14 0.99 1.43 -0.10 -1.45 118.68 123.92 2aqr s LEU 62 Ca 0.00 2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 2aqr s LEU 62 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2aqr s LEU 62 CO 0.00 -0.20 -0.05 -0.69 0.23 0.00 0.00 176.35 175.63 2aqr s VAL 63 N -0.58 3.75 -0.31 -1.59 1.01 0.51 -1.05 120.40 122.13 2aqr s VAL 63 Ca 0.48 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2aqr s VAL 63 Cb -0.31 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2aqr s VAL 63 CO 0.37 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.72 2aqr s PHE 64 N 0.18 3.18 -0.36 5.22 0.40 0.18 -1.47 117.98 125.32 2aqr s PHE 64 Ca -0.03 -1.16 -0.07 0.00 -0.60 0.00 0.00 56.93 55.08 2aqr s PHE 64 Cb -0.14 -2.26 0.05 0.00 0.51 0.00 0.00 43.02 41.18 2aqr s PHE 64 CO 0.03 -0.64 0.14 0.99 0.70 0.00 0.00 175.22 176.44 2aqr s THR 65 N 1.46 3.81 0.53 0.64 2.01 0.36 -1.39 115.64 123.06 2aqr s THR 65 Ca 0.01 -1.26 -0.10 0.00 0.31 0.00 0.00 61.69 60.65 2aqr s THR 65 Cb -0.18 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2aqr s THR 65 CO 0.02 -0.28 0.92 -2.16 -0.69 0.00 0.00 174.62 172.43 2aqr s PRO 66 N 1.38 3.65 -0.46 4.92 0.04 -1.26 -0.78 135.00 142.49 2aqr s PRO 66 Ca -0.00 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.68 2aqr s PRO 66 Cb -0.20 -2.22 0.23 0.00 0.04 0.00 0.00 34.50 32.34 2aqr s PRO 66 CO 0.02 -0.35 0.70 -3.47 0.04 0.00 0.00 177.00 173.94 2aqr n ASP 67 N -2.25 -1.88 -4.57 6.66 4.64 -0.23 -4.02 116.55 114.90 2aqr n ASP 67 Ca 0.04 -2.96 -0.24 0.00 -1.38 0.00 0.00 54.79 50.25 2aqr n ASP 67 Cb 0.54 0.87 -0.09 0.00 -1.04 0.00 0.00 41.12 41.40 2aqr n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqr s LEU 68 N -0.47 2.87 0.12 -2.67 1.43 -0.67 -2.06 118.68 117.23 2aqr s LEU 68 Ca 0.33 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 2aqr s LEU 68 Cb 0.15 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 45.10 2aqr s LEU 68 CO -0.17 -0.09 0.41 0.00 0.23 0.00 0.00 176.35 176.73 2aqr s GLN 69 N -3.63 1.06 0.00 1.70 -2.07 -0.10 -1.70 119.66 114.92 2aqr s GLN 69 Ca 0.32 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2aqr s GLN 69 Cb -0.03 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2aqr s GLN 69 CO 0.18 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 2aqr n GLY 70 N -0.17 0.71 3.94 2.60 0.00 -0.83 -4.72 105.19 106.72 2aqr n GLY 70 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2aqr n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 71 N 0.00 3.92 0.35 0.99 1.43 -0.94 -5.04 118.68 119.39 2aqr s LEU 71 Ca 0.00 0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 53.26 2aqr s LEU 71 Cb 0.00 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 2aqr s LEU 71 CO 0.00 -0.39 1.11 -0.94 0.23 0.00 0.00 176.35 176.36 2aqr s SER 72 N -4.08 6.87 0.74 2.29 1.04 -1.26 -4.18 113.70 115.12 2aqr s SER 72 Ca 0.42 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.95 2aqr s SER 72 Cb -0.10 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.46 2aqr s SER 72 CO 0.37 -0.43 1.16 -1.83 0.98 0.00 0.00 173.24 173.49 2aqr s GLU 73 N -2.04 2.19 0.00 4.02 -1.05 -1.26 -4.76 118.70 115.81 2aqr s GLU 73 Ca 0.52 1.58 0.00 0.00 -0.15 0.00 0.00 54.97 56.92 2aqr s GLU 73 Cb -0.29 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 2aqr s GLU 73 CO 0.37 -1.76 0.00 0.41 0.95 0.00 0.00 175.26 175.23 2aqr n GLY 74 N -0.03 0.48 3.79 -3.83 0.00 -0.04 -4.94 105.19 100.61 2aqr n GLY 74 Ca 0.12 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 2aqr n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 75 N 0.00 4.39 -0.04 0.99 1.43 -1.26 -0.77 118.68 123.42 2aqr s LEU 75 Ca 0.00 0.89 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 2aqr s LEU 75 Cb 0.00 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 2aqr s LEU 75 CO 0.00 0.19 -0.17 -1.00 0.23 0.00 0.00 176.35 175.61 2aqr s HIS 76 N -0.36 1.64 0.31 0.29 3.76 0.05 -3.75 115.29 117.23 2aqr s HIS 76 Ca 0.24 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 2aqr s HIS 76 Cb -0.16 -1.11 -0.13 0.00 1.11 0.00 0.00 32.58 32.30 2aqr s HIS 76 CO 0.12 -0.15 1.30 0.41 -0.85 0.00 0.00 174.74 175.57 2aqr n GLY 77 N 3.11 0.58 2.62 -2.22 0.00 0.37 -1.28 105.19 108.37 2aqr n GLY 77 Ca -0.18 0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2aqr n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqr s PHE 78 N -0.84 0.12 0.05 1.61 5.36 -1.26 -0.69 117.98 122.34 2aqr s PHE 78 Ca 0.59 -0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2aqr s PHE 78 Cb -0.59 -0.67 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 2aqr s PHE 78 CO 0.59 -0.59 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.72 2aqr s HIS 79 N 2.17 0.53 -0.14 10.12 3.76 -0.77 -2.65 115.29 128.31 2aqr s HIS 79 Ca 0.04 -1.07 -0.19 0.00 -0.15 0.00 0.00 55.06 53.69 2aqr s HIS 79 Cb -0.16 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 2aqr s HIS 79 CO -0.15 -0.39 0.51 0.42 -0.85 0.00 0.00 174.74 174.28 2aqr s ILE 80 N -3.93 5.15 0.22 0.60 -1.09 0.54 -0.15 121.20 122.55 2aqr s ILE 80 Ca 0.08 0.99 0.06 0.00 -2.23 0.00 0.00 60.65 59.55 2aqr s ILE 80 Cb 0.08 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2aqr s ILE 80 CO -0.09 0.27 0.22 -1.00 -1.23 0.00 0.00 174.94 173.11 2aqr s HIS 81 N 1.00 3.22 0.18 3.97 3.76 0.13 -0.74 115.29 126.82 2aqr s HIS 81 Ca 0.26 -0.05 -0.14 0.00 -0.15 0.00 0.00 55.06 54.98 2aqr s HIS 81 Cb -0.15 -1.48 0.10 0.00 1.11 0.00 0.00 32.58 32.15 2aqr s HIS 81 CO 0.11 0.50 1.81 1.05 -0.85 0.00 0.00 174.74 177.36 2aqr h GLU 82 N 1.68 0.57 -6.09 1.40 4.11 -1.08 -2.59 114.58 112.57 2aqr h GLU 82 Ca -0.49 -0.03 -0.59 0.00 0.07 0.00 0.00 59.36 58.31 2aqr h GLU 82 Cb 1.22 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2aqr h GLU 82 CO 0.62 0.38 -0.25 -0.80 0.07 0.00 0.00 179.01 179.02 2aqr s ASN 83 N -5.57 6.64 -1.33 3.06 0.01 0.26 -4.59 114.94 113.41 2aqr s ASN 83 Ca -0.13 0.78 -0.08 0.00 -0.71 0.00 0.00 52.86 52.72 2aqr s ASN 83 Cb 0.13 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 2aqr s ASN 83 CO 0.74 0.18 2.89 -0.81 -1.51 0.00 0.00 177.10 178.58 2aqr n PRO 84 N 0.94 3.70 -3.73 -0.60 -0.04 -1.25 -3.23 135.00 130.80 2aqr n PRO 84 Ca -0.08 -2.40 -0.14 0.00 -0.04 0.00 0.00 63.50 60.84 2aqr n PRO 84 Cb 0.52 -2.65 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 2aqr n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqr s SER 85 N 1.63 -0.35 0.00 3.54 0.15 -1.26 -4.95 113.70 112.46 2aqr s SER 85 Ca 0.65 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.85 2aqr s SER 85 Cb 0.20 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 65.19 2aqr s SER 85 CO -0.07 -0.29 1.00 0.00 1.20 0.00 0.00 173.24 175.08 2aqr s GLU 87 N -0.90 2.82 0.72 0.00 0.41 -1.26 -3.89 118.70 116.60 2aqr s GLU 87 Ca 0.06 1.01 -0.09 0.00 -0.41 0.00 0.00 54.97 55.53 2aqr s GLU 87 Cb 0.03 -1.97 0.05 0.00 -1.78 0.00 0.00 34.13 30.46 2aqr s GLU 87 CO 0.04 -1.20 1.06 -1.25 -0.49 0.00 0.00 175.26 173.43 2aqr s PRO 88 N -4.98 2.38 0.01 0.39 0.04 -1.26 -0.56 135.00 131.01 2aqr s PRO 88 Ca 0.59 0.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.65 2aqr s PRO 88 Cb -0.15 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 2aqr s PRO 88 CO 0.55 -1.22 0.02 0.15 0.04 0.00 0.00 177.00 176.54 2aqr s LYS 89 N -5.33 0.33 0.00 4.56 1.02 -1.01 -4.47 119.74 114.85 2aqr s LYS 89 Ca 0.59 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 2aqr s LYS 89 Cb -0.11 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2aqr s LYS 89 CO 0.47 -0.06 1.15 -1.21 -0.92 0.00 0.00 175.35 174.78 2aqr s GLU 90 N -1.30 4.43 -0.14 1.68 0.41 -1.26 -1.24 118.70 121.28 2aqr s GLU 90 Ca -0.14 1.65 -0.04 0.00 -0.41 0.00 0.00 54.97 56.03 2aqr s GLU 90 Cb -0.08 -3.45 0.06 0.00 -1.78 0.00 0.00 34.13 28.88 2aqr s GLU 90 CO -0.00 -0.29 0.13 -1.14 -0.49 0.00 0.00 175.26 173.47 2aqr s GLN 91 N 1.49 0.06 -1.46 1.61 0.74 -0.09 -4.83 119.66 117.19 2aqr s GLN 91 Ca 0.56 0.21 -0.07 0.00 0.05 0.00 0.00 55.36 56.11 2aqr s GLN 91 Cb -0.26 -1.10 0.01 0.00 1.10 0.00 0.00 33.01 32.77 2aqr s GLN 91 CO 0.26 -0.52 0.91 0.39 -0.55 0.00 0.00 175.29 175.77 2aqr n GLU 92 N 5.30 -6.44 -0.95 1.67 -0.58 -1.26 -1.55 120.64 116.82 2aqr n GLU 92 Ca -0.05 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 2aqr n GLU 92 Cb 0.49 -5.82 0.00 0.00 -0.57 0.00 0.00 31.44 25.54 2aqr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aqr n GLY 93 N -1.77 0.69 3.39 0.62 0.00 -1.26 -5.01 105.19 101.84 2aqr n GLY 93 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2aqr n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aqr s LYS 94 N -0.21 3.48 -0.76 1.61 2.20 -0.60 -5.05 119.74 120.42 2aqr s LYS 94 Ca 0.00 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 2aqr s LYS 94 Cb 0.00 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2aqr s LYS 94 CO 0.00 0.06 1.50 -1.17 -0.36 0.00 0.00 175.35 175.37 2aqr s LEU 95 N 0.81 3.24 -0.19 5.43 2.96 -1.26 -0.91 118.68 128.76 2aqr s LEU 95 Ca -0.02 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 2aqr s LEU 95 Cb -0.15 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 2aqr s LEU 95 CO 0.01 -1.99 0.51 -0.89 -1.32 0.00 0.00 176.35 172.67 2aqr s THR 96 N 6.77 5.12 0.16 3.68 2.01 -0.37 -4.88 115.64 128.13 2aqr s THR 96 Ca 0.47 0.94 -0.34 0.00 0.31 0.00 0.00 61.69 63.07 2aqr s THR 96 Cb -0.08 -3.83 -0.15 0.00 0.01 0.00 0.00 72.50 68.45 2aqr s THR 96 CO 0.12 0.19 1.41 0.00 -0.69 0.00 0.00 174.62 175.65 2aqr n ALA 97 N 4.69 0.33 -0.87 7.40 0.00 -1.26 -2.40 120.51 128.39 2aqr n ALA 97 Ca -0.05 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2aqr n ALA 97 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2aqr n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqr n GLY 98 N 2.68 0.12 0.30 0.00 0.00 -1.25 -4.51 105.19 102.53 2aqr n GLY 98 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 2aqr n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqr h LEU 99 N 0.00 0.00 -2.35 0.99 3.38 -1.54 -2.28 115.31 113.52 2aqr h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqr h LEU 99 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2aqr h LEU 99 CO 0.00 0.04 0.00 1.23 0.09 0.00 0.00 178.44 179.80 2aqr h GLY 100 N 0.92 0.00 2.00 0.83 0.00 -1.05 -1.29 103.07 104.48 2aqr h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqr h GLY 100 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2aqr n ALA 101 N -2.02 2.16 -0.24 3.60 0.00 -0.86 -4.57 120.51 118.58 2aqr n ALA 101 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2aqr n ALA 101 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2aqr n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqr n GLY 102 N 1.09 -1.06 0.21 0.00 0.00 -0.49 -0.58 105.19 104.37 2aqr n GLY 102 Ca 0.06 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 2aqr n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 103 N 0.00 0.12 3.75 -0.02 0.00 -1.26 -4.71 105.19 103.07 2aqr n GLY 103 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2aqr n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqr s HIS 104 N -0.35 2.91 0.05 1.61 3.76 -1.26 -1.22 115.29 120.79 2aqr s HIS 104 Ca 0.04 1.01 -0.31 0.00 -0.15 0.00 0.00 55.06 55.64 2aqr s HIS 104 Cb -0.00 -3.90 -0.10 0.00 1.11 0.00 0.00 32.58 29.69 2aqr s HIS 104 CO 0.03 -2.88 1.91 1.87 -0.85 0.00 0.00 174.74 174.81 2aqr n TRP 105 N 1.98 2.52 -3.18 1.40 -0.00 0.08 -4.54 117.44 115.70 2aqr n TRP 105 Ca 0.06 -0.24 -0.20 0.00 -0.00 0.00 0.00 57.50 57.12 2aqr n TRP 105 Cb 0.39 -2.76 -0.04 0.00 -0.00 0.00 0.00 31.31 28.91 2aqr n TRP 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2aqr n ASP 106 N 6.71 0.52 0.31 5.87 2.03 -1.26 -1.45 116.55 129.28 2aqr n ASP 106 Ca 0.20 -2.90 0.21 0.00 0.52 0.00 0.00 54.79 52.82 2aqr n ASP 106 Cb 0.38 -0.58 1.11 0.00 -0.72 0.00 0.00 41.12 41.31 2aqr n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqr h PRO 107 N 3.38 0.00 -0.35 -0.67 0.13 -1.97 -1.68 132.00 130.84 2aqr h PRO 107 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2aqr h PRO 107 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aqr h PRO 107 CO 0.48 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 2aqr n LYS 108 N -2.96 2.33 -3.58 0.86 5.02 -1.26 -4.99 118.16 113.58 2aqr n LYS 108 Ca -0.03 -2.14 -0.19 0.00 -2.02 0.00 0.00 58.31 53.93 2aqr n LYS 108 Cb 0.07 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2aqr n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqr n GLY 109 N 1.26 -0.32 0.19 0.72 0.00 -0.63 -4.89 105.19 101.51 2aqr n GLY 109 Ca 0.17 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 2aqr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqr h ALA 110 N 0.88 0.90 -2.22 4.61 0.00 -1.86 -3.47 119.26 118.11 2aqr h ALA 110 Ca -0.60 -0.49 -0.40 0.00 0.00 0.00 0.00 54.91 53.42 2aqr h ALA 110 Cb 1.35 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2aqr h ALA 110 CO 0.54 0.68 -0.46 1.63 0.00 0.00 0.00 179.25 181.63 2aqr n LYS 111 N -3.94 -1.52 -3.60 0.00 4.76 -1.26 -4.90 118.16 107.69 2aqr n LYS 111 Ca -0.02 1.04 -0.16 0.00 -2.87 0.00 0.00 58.31 56.31 2aqr n LYS 111 Cb 0.57 -5.56 -0.07 0.00 -1.84 0.00 0.00 35.03 28.12 2aqr n LYS 111 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2aqr s GLN 112 N -4.56 0.89 0.09 1.97 -2.07 -1.26 -5.08 119.66 109.64 2aqr s GLN 112 Ca 0.00 0.53 -0.23 0.00 -1.82 0.00 0.00 55.36 53.84 2aqr s GLN 112 Cb 0.00 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 2aqr s GLN 112 CO 0.00 -0.21 0.69 -1.58 -1.32 0.00 0.00 175.29 172.88 2aqr s HIS 113 N -0.49 3.81 0.00 9.60 5.65 -1.26 -1.70 115.29 130.90 2aqr s HIS 113 Ca -0.06 1.44 0.00 0.00 0.25 0.00 0.00 55.06 56.69 2aqr s HIS 113 Cb -0.03 -2.68 0.00 0.00 -1.18 0.00 0.00 32.58 28.69 2aqr s HIS 113 CO 0.05 0.46 0.00 0.41 -0.65 0.00 0.00 174.74 175.01 2aqr n GLY 114 N 1.93 3.77 3.88 1.59 0.00 -1.26 -4.08 105.19 111.02 2aqr n GLY 114 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2aqr n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqr s TYR 115 N -1.47 3.57 0.33 1.61 2.02 -1.25 -4.63 117.35 117.52 2aqr s TYR 115 Ca 0.00 1.16 0.25 0.00 -0.37 0.00 0.00 57.07 58.11 2aqr s TYR 115 Cb 0.00 -2.70 1.22 0.00 -0.40 0.00 0.00 41.96 40.08 2aqr s TYR 115 CO 0.00 -0.69 1.97 -1.35 -1.57 0.00 0.00 175.55 173.91 2aqr h PRO 116 N -0.27 0.00 -0.57 -1.71 0.11 -1.86 -2.52 132.00 125.19 2aqr h PRO 116 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2aqr h PRO 116 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aqr h PRO 116 CO 0.62 0.18 0.00 -2.67 -0.21 0.00 0.00 178.00 175.92 2aqr n TRP 117 N -3.61 1.49 -3.65 0.65 2.14 -1.26 -4.27 117.44 108.93 2aqr n TRP 117 Ca -0.01 -0.66 -0.38 0.00 2.07 0.00 0.00 57.50 58.52 2aqr n TRP 117 Cb 0.31 -0.30 -0.12 0.00 -0.81 0.00 0.00 31.31 30.40 2aqr n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqr s GLN 118 N -2.11 3.66 0.41 -2.67 0.74 -0.95 -5.00 119.66 113.74 2aqr s GLN 118 Ca 0.49 -0.50 0.16 0.00 0.05 0.00 0.00 55.36 55.56 2aqr s GLN 118 Cb 0.34 -3.54 0.90 0.00 1.10 0.00 0.00 33.01 31.80 2aqr s GLN 118 CO 0.20 -0.27 1.90 -0.44 -0.55 0.00 0.00 175.29 176.13 2aqr h ASP 119 N 8.33 0.00 -1.00 6.67 3.32 -1.90 -3.07 116.42 128.78 2aqr h ASP 119 Ca -0.35 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.03 2aqr h ASP 119 Cb 1.17 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 2aqr h ASP 119 CO 0.58 0.29 0.85 -0.90 -1.72 0.00 0.00 179.24 178.34 2aqr n ASP 120 N -4.03 7.48 -4.49 6.45 3.85 -1.26 -4.92 116.55 119.64 2aqr n ASP 120 Ca -0.02 -3.78 -0.24 0.00 -0.71 0.00 0.00 54.79 50.04 2aqr n ASP 120 Cb 0.35 -0.96 -0.10 0.00 -1.35 0.00 0.00 41.12 39.05 2aqr n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqr s ALA 121 N -3.80 2.65 0.20 2.12 0.00 -1.16 -4.66 121.76 117.11 2aqr s ALA 121 Ca 0.64 -2.00 -0.32 0.00 0.00 0.00 0.00 51.96 50.29 2aqr s ALA 121 Cb 0.51 0.07 -0.15 0.00 0.00 0.00 0.00 23.12 23.55 2aqr s ALA 121 CO -0.00 0.01 1.26 0.72 0.00 0.00 0.00 175.76 177.74 2aqr n HIS 122 N -0.69 1.64 0.26 0.00 8.25 -0.69 -4.77 115.22 119.22 2aqr n HIS 122 Ca -0.05 0.58 0.11 0.00 -0.26 0.00 0.00 57.72 58.10 2aqr n HIS 122 Cb 0.63 -2.35 0.69 0.00 1.12 0.00 0.00 29.99 30.08 2aqr n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqr h LEU 123 N 3.70 0.00 0.00 2.41 5.85 -1.87 -2.12 115.31 123.27 2aqr h LEU 123 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2aqr h LEU 123 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2aqr h LEU 123 CO 0.72 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 2aqr n GLY 124 N -0.86 -0.98 3.60 3.75 0.00 -0.53 -4.79 105.19 105.37 2aqr n GLY 124 Ca -0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2aqr n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqr s ASP 125 N -1.65 6.45 0.38 1.61 1.01 -0.80 -0.34 116.67 123.34 2aqr s ASP 125 Ca 0.30 0.56 0.08 0.00 0.71 0.00 0.00 52.55 54.19 2aqr s ASP 125 Cb 0.14 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2aqr s ASP 125 CO 0.23 -1.39 0.41 -0.76 0.21 0.00 0.00 175.17 173.87 2aqr s LEU 126 N 5.04 3.59 0.62 1.23 1.43 -1.08 -4.07 118.68 125.43 2aqr s LEU 126 Ca 0.53 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2aqr s LEU 126 Cb -0.10 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2aqr s LEU 126 CO 0.31 -0.56 1.19 -2.84 0.23 0.00 0.00 176.35 174.69 2aqr s PRO 127 N -4.14 2.82 0.53 1.29 0.02 -1.26 -4.65 135.00 129.61 2aqr s PRO 127 Ca 0.47 1.75 -0.21 0.00 0.02 0.00 0.00 61.00 63.03 2aqr s PRO 127 Cb -0.06 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 2aqr s PRO 127 CO 0.29 -1.31 1.24 0.00 -0.33 0.00 0.00 177.00 176.90 2aqr s ALA 128 N -1.76 2.79 0.04 -1.55 0.00 -1.26 -4.54 121.76 115.47 2aqr s ALA 128 Ca 0.75 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.60 2aqr s ALA 128 Cb -0.29 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 2aqr s ALA 128 CO 0.36 -1.05 0.61 -1.17 0.00 0.00 0.00 175.76 174.51 2aqr s LEU 129 N -3.52 4.47 -0.27 0.00 2.96 -0.41 -4.86 118.68 117.05 2aqr s LEU 129 Ca 0.71 1.25 -0.10 0.00 -0.22 0.00 0.00 54.13 55.76 2aqr s LEU 129 Cb -0.33 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 2aqr s LEU 129 CO 0.38 0.17 0.16 -0.89 -1.32 0.00 0.00 176.35 174.85 2aqr s THR 130 N -0.58 5.09 -0.23 3.68 2.01 -1.26 -0.77 115.64 123.57 2aqr s THR 130 Ca 0.31 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 2aqr s THR 130 Cb -0.19 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2aqr s THR 130 CO 0.19 0.27 0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 2aqr s VAL 131 N 1.72 3.86 1.04 3.82 1.01 0.05 -4.46 120.40 127.44 2aqr s VAL 131 Ca 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 2aqr s VAL 131 Cb -0.16 -2.78 0.21 0.00 0.00 0.00 0.00 36.38 33.66 2aqr s VAL 131 CO 0.09 0.39 1.12 -0.76 0.00 0.00 0.00 175.10 175.94 2aqr s LEU 132 N 1.46 1.45 0.39 3.92 1.43 0.27 -0.86 118.68 126.73 2aqr s LEU 132 Ca 0.05 0.90 0.13 0.00 -1.03 0.00 0.00 54.13 54.18 2aqr s LEU 132 Cb -0.15 -2.96 0.94 0.00 0.03 0.00 0.00 46.19 44.05 2aqr s LEU 132 CO 0.00 -3.31 1.87 -0.74 0.23 0.00 0.00 176.35 174.41 2aqr h HIS 133 N -2.02 0.68 -0.09 0.29 -0.00 -1.97 0.09 115.15 112.13 2aqr h HIS 133 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2aqr h HIS 133 Cb 1.32 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2aqr h HIS 133 CO -0.52 0.23 0.00 -0.40 -0.00 0.00 0.00 177.93 177.24 2aqr n ASP 134 N -4.54 0.46 0.00 3.26 3.85 -1.26 -4.79 116.55 113.53 2aqr n ASP 134 Ca 0.17 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 2aqr n ASP 134 Cb 0.55 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 2aqr n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqr n GLY 135 N 0.65 0.58 3.88 6.12 0.00 0.02 -4.66 105.19 111.78 2aqr n GLY 135 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2aqr n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqr s THR 136 N -2.31 4.89 -0.08 2.61 -4.23 -1.26 -1.97 115.64 113.30 2aqr s THR 136 Ca 0.00 -1.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2aqr s THR 136 Cb 0.00 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.32 2aqr s THR 136 CO 0.00 -0.19 0.05 0.00 -0.54 0.00 0.00 174.62 173.94 2aqr s ALA 137 N -1.86 0.42 0.00 3.99 0.00 -0.69 -0.57 121.76 123.05 2aqr s ALA 137 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2aqr s ALA 137 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2aqr s ALA 137 CO 0.26 -0.62 0.14 0.25 0.00 0.00 0.00 175.76 175.80 2aqr n THR 138 N 5.25 0.02 -2.62 0.00 -2.24 -1.26 -1.68 114.28 111.75 2aqr n THR 138 Ca -0.05 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 2aqr n THR 138 Cb 0.50 1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 70.43 2aqr n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqr s ASN 139 N -0.02 7.02 0.57 3.42 3.04 -1.26 -4.54 114.94 123.18 2aqr s ASN 139 Ca 0.00 1.30 -0.17 0.00 0.04 0.00 0.00 52.86 54.03 2aqr s ASN 139 Cb 0.00 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.12 2aqr s ASN 139 CO 0.00 -0.76 1.06 -2.16 -3.04 0.00 0.00 177.10 172.21 2aqr s PRO 140 N 3.40 3.38 0.05 0.43 0.04 -1.26 -4.48 135.00 136.55 2aqr s PRO 140 Ca 0.46 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2aqr s PRO 140 Cb -0.15 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2aqr s PRO 140 CO 0.10 -0.77 -0.08 0.14 0.04 0.00 0.00 177.00 176.44 2aqr s VAL 141 N -2.30 0.54 -0.10 -0.36 -7.23 -0.49 -4.97 120.40 105.50 2aqr s VAL 141 Ca 0.65 -1.17 -0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2aqr s VAL 141 Cb -0.17 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 2aqr s VAL 141 CO 0.33 -0.44 0.03 -0.22 -0.31 0.00 0.00 175.10 174.49 2aqr s LEU 142 N -1.74 3.73 -0.59 1.32 2.96 -1.26 -0.64 118.68 122.45 2aqr s LEU 142 Ca -0.08 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2aqr s LEU 142 Cb -0.08 -1.87 0.15 0.00 0.50 0.00 0.00 46.19 44.89 2aqr s LEU 142 CO -0.00 0.37 0.38 0.00 -1.32 0.00 0.00 176.35 175.77 2aqr s ALA 143 N -0.82 3.49 0.58 5.97 0.00 -0.22 -4.56 121.76 126.20 2aqr s ALA 143 Ca 0.13 -3.24 0.28 0.00 0.00 0.00 0.00 51.96 49.12 2aqr s ALA 143 Cb -0.12 -2.50 1.66 0.00 0.00 0.00 0.00 23.12 22.16 2aqr s ALA 143 CO 0.02 -2.07 2.15 -1.00 0.00 0.00 0.00 175.76 174.87 2aqr h PRO 144 N 6.91 0.00 -0.00 0.00 0.13 -1.79 -2.31 132.00 134.93 2aqr h PRO 144 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2aqr h PRO 144 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aqr h PRO 144 CO 0.70 0.00 -0.23 0.54 -0.23 0.00 0.00 178.00 178.78 2aqr n ARG 145 N -3.92 0.15 -3.60 0.86 1.74 -1.26 -4.60 116.66 106.02 2aqr n ARG 145 Ca -0.00 -0.06 -0.38 0.00 -0.77 0.00 0.00 57.85 56.65 2aqr n ARG 145 Cb 0.23 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 2aqr n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqr s LEU 146 N -2.89 4.01 -0.22 0.55 1.43 -0.88 -4.99 118.68 115.70 2aqr s LEU 146 Ca 0.16 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2aqr s LEU 146 Cb 0.19 -2.11 -0.15 0.00 0.03 0.00 0.00 46.19 44.14 2aqr s LEU 146 CO 0.59 -0.04 -0.17 0.29 0.23 0.00 0.00 176.35 177.25 2aqr n LYS 147 N 4.98 0.62 -4.70 1.70 4.76 -1.26 -0.93 118.16 123.32 2aqr n LYS 147 Ca -0.14 0.11 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 2aqr n LYS 147 Cb 0.52 -1.44 -0.14 0.00 -1.84 0.00 0.00 35.03 32.13 2aqr n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqr s HIS 148 N -2.44 2.18 0.20 2.13 3.76 -1.26 -4.67 115.29 115.19 2aqr s HIS 148 Ca -0.28 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.14 2aqr s HIS 148 Cb 0.07 -1.27 0.24 0.00 1.11 0.00 0.00 32.58 32.73 2aqr s HIS 148 CO 0.53 0.17 1.79 -0.07 -0.85 0.00 0.00 174.74 176.31 2aqr h LEU 149 N 4.56 0.45 -2.65 0.89 3.38 -1.95 -1.50 115.31 118.49 2aqr h LEU 149 Ca -0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2aqr h LEU 149 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2aqr h LEU 149 CO 0.42 0.29 0.00 0.44 0.09 0.00 0.00 178.44 179.69 2aqr h ASP 150 N 0.59 0.00 -0.19 -0.43 5.19 -1.96 -2.23 116.42 117.39 2aqr h ASP 150 Ca 0.29 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.65 2aqr h ASP 150 Cb 0.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 2aqr h ASP 150 CO -0.21 0.00 -0.02 0.44 -3.12 0.00 0.00 179.24 176.34 2aqr h ASP 151 N 0.00 0.44 0.30 6.45 3.45 -1.69 -2.89 116.42 122.49 2aqr h ASP 151 Ca 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2aqr h ASP 151 Cb 0.01 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 2aqr h ASP 151 CO -0.00 0.52 -0.47 1.33 -1.57 0.00 0.00 179.24 179.06 2aqr n VAL 152 N -4.29 0.00 -2.12 -1.35 0.24 -0.85 -4.92 118.33 105.05 2aqr n VAL 152 Ca 0.01 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.34 61.84 2aqr n VAL 152 Cb 0.24 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 2aqr n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqr s ARG 153 N -2.77 4.32 0.00 7.34 0.52 -1.09 -3.15 118.95 124.11 2aqr s ARG 153 Ca 0.16 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 2aqr s ARG 153 Cb 0.18 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2aqr s ARG 153 CO 0.64 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.16 2aqr n GLY 154 N 0.79 0.78 0.60 -3.53 0.00 -0.60 -5.02 105.19 98.20 2aqr n GLY 154 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 2aqr n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqr n HIS 155 N -2.37 -0.09 -4.23 1.61 8.25 -1.19 -3.79 115.22 113.40 2aqr n HIS 155 Ca 0.00 -0.50 -0.14 0.00 -0.26 0.00 0.00 57.72 56.81 2aqr n HIS 155 Cb 0.00 0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 2aqr n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqr s SER 156 N -1.44 1.71 -0.12 0.41 1.04 -0.98 -0.58 113.70 113.74 2aqr s SER 156 Ca 0.06 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2aqr s SER 156 Cb 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2aqr s SER 156 CO 0.04 -0.32 -0.17 -0.51 0.98 0.00 0.00 173.24 173.26 2aqr s ILE 157 N -3.13 2.65 -0.02 -1.02 2.07 0.20 0.22 121.20 122.17 2aqr s ILE 157 Ca 0.14 -0.81 0.06 0.00 -1.41 0.00 0.00 60.65 58.64 2aqr s ILE 157 Cb 0.01 -2.08 -0.02 0.00 0.13 0.00 0.00 42.46 40.50 2aqr s ILE 157 CO 0.00 0.54 -0.20 -0.32 -1.91 0.00 0.00 174.94 173.05 2aqr s MET 158 N 0.38 2.25 -0.15 3.50 -2.45 0.79 -1.40 119.30 122.22 2aqr s MET 158 Ca -0.14 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 53.47 2aqr s MET 158 Cb -0.17 -2.20 0.01 0.00 1.25 0.00 0.00 34.83 33.72 2aqr s MET 158 CO 0.07 0.58 -0.19 0.42 1.05 0.00 0.00 175.02 176.95 2aqr s ILE 159 N -0.71 2.33 0.36 10.11 1.01 0.31 -1.85 121.20 132.76 2aqr s ILE 159 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2aqr s ILE 159 Cb -0.10 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2aqr s ILE 159 CO 0.01 0.53 0.56 -1.00 0.00 0.00 0.00 174.94 175.03 2aqr s HIS 160 N 0.92 3.41 0.22 3.97 3.76 0.14 -0.80 115.29 126.90 2aqr s HIS 160 Ca -0.04 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2aqr s HIS 160 Cb -0.15 -1.97 0.20 0.00 1.11 0.00 0.00 32.58 31.77 2aqr s HIS 160 CO -0.03 0.03 1.54 0.00 -0.85 0.00 0.00 174.74 175.43 2aqr h THR 161 N 0.72 1.37 -5.49 1.30 1.03 -1.37 -3.37 112.91 107.08 2aqr h THR 161 Ca -0.49 -1.95 -0.41 0.00 -0.01 0.00 0.00 66.41 63.55 2aqr h THR 161 Cb 1.23 1.96 0.06 0.00 -1.07 0.00 0.00 68.15 70.33 2aqr h THR 161 CO 0.60 0.58 0.07 0.61 -0.01 0.00 0.00 175.52 177.37 2aqr n GLY 162 N 0.29 0.95 0.00 2.99 0.00 -0.11 -4.91 105.19 104.41 2aqr n GLY 162 Ca -0.03 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2aqr n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 163 N -1.61 1.31 3.07 -0.02 0.00 -1.25 -0.48 105.19 106.21 2aqr n GLY 163 Ca 0.14 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.51 2aqr n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqr s ASP 164 N -1.00 -0.85 -0.04 1.61 -1.08 -1.24 -2.84 116.67 111.23 2aqr s ASP 164 Ca 0.00 0.56 0.14 0.00 -0.52 0.00 0.00 52.55 52.73 2aqr s ASP 164 Cb 0.00 1.80 0.48 0.00 -1.46 0.00 0.00 42.92 43.73 2aqr s ASP 164 CO 0.00 -0.28 1.37 -0.46 0.52 0.00 0.00 175.17 176.32 2aqr n ASN 165 N 5.41 3.11 -3.89 -0.34 6.94 -0.71 -4.92 115.26 120.86 2aqr n ASN 165 Ca -0.01 -2.17 -0.28 0.00 -0.02 0.00 0.00 54.58 52.10 2aqr n ASN 165 Cb 0.51 -0.42 0.02 0.00 -2.36 0.00 0.00 39.78 37.53 2aqr n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqr n HIS 166 N 0.83 -2.05 -3.68 -2.53 8.25 -1.26 -4.97 115.22 109.81 2aqr n HIS 166 Ca 0.17 0.86 -0.10 0.00 -0.26 0.00 0.00 57.72 58.39 2aqr n HIS 166 Cb 0.55 -3.96 -0.03 0.00 1.12 0.00 0.00 29.99 27.67 2aqr n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqr s SER 167 N -3.75 -0.34 0.00 0.41 0.15 -1.26 -3.88 113.70 105.04 2aqr s SER 167 Ca 0.40 -0.38 0.23 0.00 0.70 0.00 0.00 55.95 56.89 2aqr s SER 167 Cb -0.20 0.61 0.51 0.00 -1.71 0.00 0.00 66.02 65.23 2aqr s SER 167 CO 0.84 -1.08 1.45 0.47 1.20 0.00 0.00 173.24 176.12 2aqr n ASP 168 N -0.37 3.45 -4.15 5.45 8.00 -1.26 -0.12 116.55 127.56 2aqr n ASP 168 Ca -0.11 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.13 2aqr n ASP 168 Cb 0.62 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 2aqr n ASP 168 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2aqr s HIS 169 N -1.37 2.02 -0.80 1.24 2.46 -1.26 -3.57 115.29 114.02 2aqr s HIS 169 Ca 0.41 -0.72 0.26 0.00 0.47 0.00 0.00 55.06 55.48 2aqr s HIS 169 Cb 0.23 -1.38 0.77 0.00 -0.13 0.00 0.00 32.58 32.07 2aqr s HIS 169 CO 0.31 -0.29 1.67 -0.35 -2.47 0.00 0.00 174.74 173.61 2aqr n PRO 170 N 3.43 0.18 -4.64 2.88 -0.04 -1.26 -4.99 135.00 130.56 2aqr n PRO 170 Ca -0.20 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.07 2aqr n PRO 170 Cb 0.52 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 2aqr n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqr s ALA 171 N -3.08 2.62 0.57 0.55 0.00 -1.24 -5.10 121.76 116.09 2aqr s ALA 171 Ca 0.10 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 2aqr s ALA 171 Cb 0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2aqr s ALA 171 CO 0.62 0.58 1.25 -1.25 0.00 0.00 0.00 175.76 176.95 2aqr s PRO 172 N -1.45 3.05 -1.47 0.00 0.04 -1.23 -3.42 135.00 130.53 2aqr s PRO 172 Ca 0.15 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 2aqr s PRO 172 Cb -0.11 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2aqr s PRO 172 CO 0.06 -1.17 0.85 1.28 0.04 0.00 0.00 177.00 178.06 2aqr n LEU 173 N -1.37 -2.54 0.00 -3.56 4.77 -1.26 -2.08 117.00 110.96 2aqr n LEU 173 Ca 0.12 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2aqr n LEU 173 Cb 0.48 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 2aqr n LEU 173 CO 0.47 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2aqr n GLY 174 N -1.62 0.55 1.59 -0.72 0.00 0.84 -3.09 105.19 102.73 2aqr n GLY 174 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2aqr n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 175 N -1.88 0.53 0.28 -0.02 0.00 -0.88 -1.74 105.19 101.47 2aqr n GLY 175 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.40 2aqr n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqr h GLY 176 N 0.00 0.48 0.00 -0.02 0.00 -1.45 -3.32 103.07 98.75 2aqr h GLY 176 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2aqr h GLY 176 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.38 2aqr n GLY 177 N -1.09 1.23 3.48 4.60 0.00 -1.26 -0.93 105.19 111.22 2aqr n GLY 177 Ca 0.01 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2aqr n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqr n PRO 178 N 4.50 0.09 -3.24 1.61 -0.02 -1.26 -4.76 135.00 131.91 2aqr n PRO 178 Ca 0.00 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2aqr n PRO 178 Cb 0.00 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 2aqr n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqr s ARG 179 N -3.25 3.75 -0.17 -0.52 0.52 -1.26 -1.75 118.95 116.26 2aqr s ARG 179 Ca 0.64 -0.03 -0.16 0.00 -0.52 0.00 0.00 55.73 55.65 2aqr s ARG 179 Cb -0.29 -3.76 -0.22 0.00 0.52 0.00 0.00 34.95 31.19 2aqr s ARG 179 CO 0.60 -0.56 0.30 1.98 0.02 0.00 0.00 175.30 177.64 2aqr h MET 180 N 8.34 0.11 -4.19 3.54 1.85 -1.24 -3.45 114.93 119.89 2aqr h MET 180 Ca -0.28 -0.18 -0.12 0.00 -0.61 0.00 0.00 59.70 58.50 2aqr h MET 180 Cb 1.13 0.07 -0.15 0.00 0.43 0.00 0.00 31.60 33.08 2aqr h MET 180 CO 0.75 1.09 -0.66 0.00 -0.40 0.00 0.00 176.91 177.69 2aqr s ALA 181 N -2.43 0.43 0.05 0.39 0.00 -0.55 -0.80 121.76 118.85 2aqr s ALA 181 Ca -0.26 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 2aqr s ALA 181 Cb 0.06 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.53 2aqr s ALA 181 CO 0.67 -0.36 0.69 0.00 0.00 0.00 0.00 175.76 176.75 2aqr s GLY 183 N -2.11 -0.12 -0.14 0.00 0.00 -0.49 -1.48 107.32 102.98 2aqr s GLY 183 Ca -0.02 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.87 2aqr s GLY 183 CO -0.04 0.15 0.33 0.14 0.00 0.00 0.00 173.10 173.68 2aqr s VAL 184 N -1.06 5.27 -0.35 1.40 1.01 -1.26 -0.63 120.40 124.78 2aqr s VAL 184 Ca -0.11 0.64 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 2aqr s VAL 184 Cb -0.05 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2aqr s VAL 184 CO 0.03 0.40 0.70 -0.63 0.00 0.00 0.00 175.10 175.60 2aqr s ILE 185 N 0.32 4.83 -0.03 2.22 1.01 0.25 -4.68 121.20 125.13 2aqr s ILE 185 Ca 0.19 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.60 2aqr s ILE 185 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2aqr s ILE 185 CO 0.06 -0.33 0.51 0.29 0.00 0.00 0.00 174.94 175.46