#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqs n ILE 28 N 0.00 0.52 -1.18 1.09 5.41 -1.26 -4.91 119.36 119.03 2aqs n ILE 28 Ca 0.00 -0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.32 2aqs n ILE 28 Cb 0.00 -1.42 0.14 0.00 -0.71 0.00 0.00 39.64 37.65 2aqs n ILE 28 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2aqs s PRO 29 N 0.15 1.27 0.25 0.38 0.04 -1.26 -5.00 135.00 130.83 2aqs s PRO 29 Ca 0.74 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 2aqs s PRO 29 Cb -0.69 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2aqs s PRO 29 CO 0.45 -2.24 0.87 0.15 0.04 0.00 0.00 177.00 176.27 2aqs s LYS 30 N -4.92 4.62 0.00 4.56 -0.14 -1.26 -4.85 119.74 117.75 2aqs s LYS 30 Ca 0.63 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 2aqs s LYS 30 Cb -0.18 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2aqs s LYS 30 CO 0.57 0.44 0.00 0.41 -0.76 0.00 0.00 175.35 176.01 2aqs n GLY 31 N 1.10 0.13 3.75 -3.33 0.00 -1.26 -4.95 105.19 100.64 2aqs n GLY 31 Ca -0.02 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2aqs n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqs s ALA 32 N -2.07 2.88 0.18 4.61 0.00 -1.26 -5.02 121.76 121.08 2aqs s ALA 32 Ca 0.00 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 53.04 2aqs s ALA 32 Cb 0.00 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.63 2aqs s ALA 32 CO 0.00 -1.24 0.56 -1.54 0.00 0.00 0.00 175.76 173.54 2aqs s SER 33 N -0.97 -0.40 -0.10 0.00 1.04 -1.26 -4.28 113.70 107.73 2aqs s SER 33 Ca 0.69 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2aqs s SER 33 Cb -0.39 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.34 2aqs s SER 33 CO 0.47 -1.02 -0.08 -0.63 0.98 0.00 0.00 173.24 172.96 2aqs s ILE 34 N -3.81 1.01 -0.40 -1.02 1.01 -0.35 -4.96 121.20 112.69 2aqs s ILE 34 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 2aqs s ILE 34 Cb -0.01 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.46 2aqs s ILE 34 CO -0.08 0.36 0.28 -0.70 0.00 0.00 0.00 174.94 174.80 2aqs s GLU 35 N 1.51 3.03 -0.20 2.79 2.12 -1.26 -0.21 118.70 126.48 2aqs s GLU 35 Ca 0.01 -0.97 -0.13 0.00 0.36 0.00 0.00 54.97 54.24 2aqs s GLU 35 Cb -0.13 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 2aqs s GLU 35 CO -0.06 -0.70 0.26 0.08 -0.54 0.00 0.00 175.26 174.30 2aqs s VAL 36 N 1.67 5.31 0.02 3.70 1.01 0.38 -4.94 120.40 127.55 2aqs s VAL 36 Ca 0.05 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2aqs s VAL 36 Cb -0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2aqs s VAL 36 CO 0.10 0.34 0.96 -0.54 0.00 0.00 0.00 175.10 175.96 2aqs s LYS 37 N 0.89 4.58 -0.11 2.72 1.02 -1.26 -1.03 119.74 126.54 2aqs s LYS 37 Ca 0.13 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.52 2aqs s LYS 37 Cb -0.13 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 2aqs s LYS 37 CO 0.04 0.02 -0.13 0.08 -0.92 0.00 0.00 175.35 174.44 2aqs s VAL 38 N 0.76 3.12 -0.11 3.17 1.01 -0.48 -4.27 120.40 123.61 2aqs s VAL 38 Ca 0.50 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2aqs s VAL 38 Cb -0.21 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2aqs s VAL 38 CO 0.28 0.54 -0.16 -1.10 0.00 0.00 0.00 175.10 174.66 2aqs s GLN 39 N 0.09 3.18 0.03 2.72 -1.52 0.02 -1.09 119.66 123.09 2aqs s GLN 39 Ca -0.05 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.31 2aqs s GLN 39 Cb -0.15 -2.51 -0.05 0.00 -0.22 0.00 0.00 33.01 30.08 2aqs s GLN 39 CO 0.04 0.26 1.25 -1.14 -0.25 0.00 0.00 175.29 175.45 2aqs s GLN 40 N 0.21 4.37 -0.02 2.91 0.74 0.11 -0.81 119.66 127.17 2aqs s GLN 40 Ca -0.10 1.81 -0.20 0.00 0.05 0.00 0.00 55.36 56.92 2aqs s GLN 40 Cb -0.16 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 2aqs s GLN 40 CO 0.06 -0.38 0.57 -0.51 -0.55 0.00 0.00 175.29 174.48 2aqs s LEU 41 N 1.60 4.41 -0.37 3.68 1.43 0.21 -1.27 118.68 128.37 2aqs s LEU 41 Ca 0.59 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.87 2aqs s LEU 41 Cb -0.29 -2.88 0.18 0.00 0.03 0.00 0.00 46.19 43.23 2aqs s LEU 41 CO 0.27 0.11 0.59 -0.62 0.23 0.00 0.00 176.35 176.92 2aqs s ASP 42 N -0.17 -1.24 0.46 2.29 -1.08 -1.26 -4.94 116.67 110.73 2aqs s ASP 42 Ca 0.30 -0.59 0.19 0.00 -0.52 0.00 0.00 52.55 51.93 2aqs s ASP 42 Cb -0.18 1.83 1.18 0.00 -1.46 0.00 0.00 42.92 44.29 2aqs s ASP 42 CO 0.16 -0.22 1.93 -0.65 0.52 0.00 0.00 175.17 176.92 2aqs h PRO 43 N 7.30 0.27 0.04 4.34 0.11 -1.92 0.15 132.00 142.29 2aqs h PRO 43 Ca 0.03 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 2aqs h PRO 43 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2aqs h PRO 43 CO 0.13 0.18 -1.19 0.28 -0.21 0.00 0.00 178.00 177.18 2aqs h VAL 44 N 0.27 1.05 -0.20 3.15 2.07 -1.96 -3.39 116.25 117.24 2aqs h VAL 44 Ca 0.35 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2aqs h VAL 44 Cb 0.97 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2aqs h VAL 44 CO -0.08 0.52 0.00 0.59 0.02 0.00 0.00 177.57 178.62 2aqs n ASN 45 N -4.22 2.52 0.00 0.57 4.13 -1.20 -5.05 115.26 112.00 2aqs n ASN 45 Ca -0.27 -1.84 0.00 0.00 1.68 0.00 0.00 54.58 54.15 2aqs n ASN 45 Cb 0.75 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2aqs n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aqs n GLY 46 N 1.31 -0.65 3.78 7.41 0.00 0.52 -5.01 105.19 112.56 2aqs n GLY 46 Ca 0.17 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 2aqs n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqs s ASN 47 N -1.36 4.66 -0.06 1.61 0.01 -1.23 -4.29 114.94 114.28 2aqs s ASN 47 Ca 0.00 1.66 -0.00 0.00 -0.71 0.00 0.00 52.86 53.81 2aqs s ASN 47 Cb 0.00 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.26 2aqs s ASN 47 CO 0.00 -1.91 -0.02 -0.75 -1.51 0.00 0.00 177.10 172.91 2aqs s LYS 48 N -4.98 0.73 0.04 -0.60 2.20 -0.39 -4.93 119.74 111.81 2aqs s LYS 48 Ca 0.60 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 2aqs s LYS 48 Cb -0.16 -0.91 -0.08 0.00 -1.51 0.00 0.00 37.83 35.17 2aqs s LYS 48 CO 0.56 -0.19 1.74 0.34 -0.36 0.00 0.00 175.35 177.43 2aqs s ASP 49 N 1.43 6.56 -0.08 1.43 3.68 -1.26 0.06 116.67 128.50 2aqs s ASP 49 Ca -0.03 2.51 0.11 0.00 2.13 0.00 0.00 52.55 57.27 2aqs s ASP 49 Cb -0.13 -2.55 0.22 0.00 -1.45 0.00 0.00 42.92 39.01 2aqs s ASP 49 CO -0.03 -0.94 1.15 1.33 0.13 0.00 0.00 175.17 176.80 2aqs n VAL 50 N 5.05 1.53 0.00 1.11 0.24 -0.25 -4.90 118.33 121.11 2aqs n VAL 50 Ca 0.17 -1.63 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 2aqs n VAL 50 Cb 0.41 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2aqs n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqs n GLY 51 N -0.76 0.55 3.19 7.63 0.00 -1.24 -1.15 105.19 113.41 2aqs n GLY 51 Ca 0.11 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 2aqs n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqs s THR 52 N -1.57 0.04 -0.08 2.61 -4.23 -0.82 -1.38 115.64 110.22 2aqs s THR 52 Ca 0.00 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2aqs s THR 52 Cb 0.00 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2aqs s THR 52 CO 0.00 -0.19 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.20 2aqs s VAL 53 N -4.11 0.45 -0.20 2.29 1.01 -0.20 -1.14 120.40 118.51 2aqs s VAL 53 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2aqs s VAL 53 Cb 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2aqs s VAL 53 CO 0.08 0.27 0.10 -0.89 0.00 0.00 0.00 175.10 174.66 2aqs s THR 54 N 1.93 5.06 -0.19 3.92 2.01 0.04 -0.47 115.64 127.95 2aqs s THR 54 Ca 0.05 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2aqs s THR 54 Cb -0.12 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 2aqs s THR 54 CO -0.06 0.43 0.02 -0.63 -0.69 0.00 0.00 174.62 173.70 2aqs s ILE 55 N 0.53 4.27 0.31 1.82 1.01 0.70 -0.64 121.20 129.21 2aqs s ILE 55 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2aqs s ILE 55 Cb -0.12 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 2aqs s ILE 55 CO 0.00 0.44 0.06 0.42 0.00 0.00 0.00 174.94 175.86 2aqs s THR 56 N 0.75 1.13 -0.29 2.92 -4.23 -0.46 -1.21 115.64 114.26 2aqs s THR 56 Ca 0.01 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 2aqs s THR 56 Cb -0.14 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 70.98 2aqs s THR 56 CO 0.02 -0.03 0.03 -1.61 -0.54 0.00 0.00 174.62 172.49 2aqs s GLU 57 N -3.90 2.84 0.53 3.99 2.02 -1.26 -0.78 118.70 122.14 2aqs s GLU 57 Ca 0.36 -1.00 0.09 0.00 0.02 0.00 0.00 54.97 54.43 2aqs s GLU 57 Cb 0.08 -3.25 0.06 0.00 0.10 0.00 0.00 34.13 31.13 2aqs s GLU 57 CO 0.15 -0.49 0.72 -1.54 0.02 0.00 0.00 175.26 174.12 2aqs s SER 58 N 1.40 5.27 0.00 -0.19 1.04 -0.55 -4.97 113.70 115.70 2aqs s SER 58 Ca 0.00 -0.67 0.22 0.00 0.48 0.00 0.00 55.95 55.98 2aqs s SER 58 Cb -0.18 -0.06 1.23 0.00 0.10 0.00 0.00 66.02 67.12 2aqs s SER 58 CO 0.00 -1.16 1.71 0.59 0.98 0.00 0.00 173.24 175.36 2aqs n ASN 59 N -2.13 0.00 0.00 7.02 3.02 -1.26 -2.89 115.26 119.02 2aqs n ASN 59 Ca 0.13 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2aqs n ASN 59 Cb 0.61 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2aqs n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqs n TYR 60 N -1.12 0.00 0.00 3.10 4.01 -1.26 -5.11 117.16 116.78 2aqs n TYR 60 Ca 0.14 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2aqs n TYR 60 Cb 0.12 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2aqs n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqs n GLY 61 N -0.45 1.36 3.76 2.72 0.00 -1.14 -4.07 105.19 107.37 2aqs n GLY 61 Ca 0.00 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2aqs n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 62 N 0.00 4.54 -0.15 0.99 1.43 -0.04 -1.48 118.68 123.96 2aqs s LEU 62 Ca 0.00 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2aqs s LEU 62 Cb 0.00 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2aqs s LEU 62 CO 0.00 -0.18 -0.06 -0.69 0.23 0.00 0.00 176.35 175.65 2aqs s VAL 63 N -0.99 3.69 -0.33 -1.59 1.01 0.04 -0.96 120.40 121.26 2aqs s VAL 63 Ca 0.46 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2aqs s VAL 63 Cb -0.32 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2aqs s VAL 63 CO 0.41 0.50 0.13 -0.36 0.00 0.00 0.00 175.10 175.77 2aqs s PHE 64 N 0.40 3.21 -0.34 5.22 0.40 -0.00 -1.35 117.98 125.51 2aqs s PHE 64 Ca -0.05 -1.05 -0.08 0.00 -0.60 0.00 0.00 56.93 55.15 2aqs s PHE 64 Cb -0.15 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.09 2aqs s PHE 64 CO 0.03 -0.62 0.13 0.99 0.70 0.00 0.00 175.22 176.45 2aqs s THR 65 N 1.50 4.06 0.49 0.64 2.01 0.19 -1.51 115.64 123.03 2aqs s THR 65 Ca 0.01 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2aqs s THR 65 Cb -0.18 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 2aqs s THR 65 CO 0.04 -0.16 0.85 -2.16 -0.69 0.00 0.00 174.62 172.50 2aqs s PRO 66 N 1.46 3.64 -0.46 4.92 0.04 -1.26 -0.78 135.00 142.56 2aqs s PRO 66 Ca 0.00 0.43 0.06 0.00 0.04 0.00 0.00 61.00 61.53 2aqs s PRO 66 Cb -0.19 -2.30 0.21 0.00 0.04 0.00 0.00 34.50 32.26 2aqs s PRO 66 CO 0.04 -0.25 0.65 -3.47 0.04 0.00 0.00 177.00 174.02 2aqs n ASP 67 N -2.08 -1.95 -4.50 6.66 4.64 -0.29 -4.02 116.55 115.00 2aqs n ASP 67 Ca 0.03 -2.87 -0.26 0.00 -1.38 0.00 0.00 54.79 50.31 2aqs n ASP 67 Cb 0.55 0.82 -0.10 0.00 -1.04 0.00 0.00 41.12 41.34 2aqs n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqs s LEU 68 N -0.16 2.72 0.08 -2.67 1.43 -0.59 -1.95 118.68 117.53 2aqs s LEU 68 Ca 0.32 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2aqs s LEU 68 Cb 0.11 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.96 2aqs s LEU 68 CO -0.15 0.09 0.25 0.00 0.23 0.00 0.00 176.35 176.76 2aqs s GLN 69 N -2.99 0.85 -0.57 1.70 -2.07 -0.30 -1.41 119.66 114.87 2aqs s GLN 69 Ca 0.25 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 2aqs s GLN 69 Cb -0.07 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2aqs s GLN 69 CO 0.14 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 2aqs n GLY 70 N 0.17 0.51 3.82 2.60 0.00 -0.91 -4.74 105.19 106.64 2aqs n GLY 70 Ca -0.17 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2aqs n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 71 N -1.51 3.52 0.15 0.99 1.43 -0.77 -5.06 118.68 117.43 2aqs s LEU 71 Ca 0.00 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 2aqs s LEU 71 Cb 0.00 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 2aqs s LEU 71 CO 0.00 -0.31 1.36 -0.44 0.23 0.00 0.00 176.35 177.19 2aqs s SER 72 N -3.94 6.85 0.76 2.29 0.01 -1.26 -4.17 113.70 114.23 2aqs s SER 72 Ca 0.39 2.36 -0.15 0.00 1.31 0.00 0.00 55.95 59.86 2aqs s SER 72 Cb -0.05 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.64 2aqs s SER 72 CO 0.25 -0.61 1.23 -1.84 0.41 0.00 0.00 173.24 172.69 2aqs n GLU 73 N 3.42 0.49 0.00 12.44 0.28 -1.26 -4.74 120.64 131.27 2aqs n GLU 73 Ca 0.09 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2aqs n GLU 73 Cb 0.42 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.82 2aqs n GLU 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2aqs n GLY 74 N 0.67 0.01 3.76 -1.84 0.00 0.57 -4.93 105.19 103.42 2aqs n GLY 74 Ca 0.14 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2aqs n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 75 N 0.00 4.44 -0.05 0.99 1.43 -1.26 -1.09 118.68 123.13 2aqs s LEU 75 Ca 0.00 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 2aqs s LEU 75 Cb 0.00 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.16 2aqs s LEU 75 CO 0.00 0.07 -0.12 -1.00 0.23 0.00 0.00 176.35 175.53 2aqs s HIS 76 N -0.18 1.33 0.31 0.29 3.76 0.05 -3.61 115.29 117.25 2aqs s HIS 76 Ca 0.34 -0.43 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 2aqs s HIS 76 Cb -0.19 -0.96 -0.13 0.00 1.11 0.00 0.00 32.58 32.40 2aqs s HIS 76 CO 0.20 -0.20 1.19 0.41 -0.85 0.00 0.00 174.74 175.49 2aqs n GLY 77 N 3.57 0.28 2.67 -2.22 0.00 0.12 -1.33 105.19 108.29 2aqs n GLY 77 Ca -0.21 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2aqs n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqs s PHE 78 N -0.95 0.49 0.06 1.61 5.36 -1.26 -0.79 117.98 122.50 2aqs s PHE 78 Ca 0.58 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 56.10 2aqs s PHE 78 Cb -0.63 -0.78 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 2aqs s PHE 78 CO 0.60 -0.48 0.11 -1.01 -1.46 0.00 0.00 175.22 172.97 2aqs s HIS 79 N 2.04 0.25 -0.09 10.12 3.76 -0.71 -2.30 115.29 128.35 2aqs s HIS 79 Ca 0.02 -0.65 -0.21 0.00 -0.15 0.00 0.00 55.06 54.07 2aqs s HIS 79 Cb -0.15 -0.16 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 2aqs s HIS 79 CO -0.08 -0.44 0.59 0.42 -0.85 0.00 0.00 174.74 174.39 2aqs s ILE 80 N -3.39 5.11 0.18 0.60 -1.09 0.34 0.01 121.20 122.96 2aqs s ILE 80 Ca 0.02 1.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.71 2aqs s ILE 80 Cb 0.03 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2aqs s ILE 80 CO -0.08 0.29 0.11 -1.00 -1.23 0.00 0.00 174.94 173.03 2aqs s HIS 81 N 0.68 3.07 0.15 3.97 3.76 0.78 -0.23 115.29 127.47 2aqs s HIS 81 Ca 0.32 -0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 54.96 2aqs s HIS 81 Cb -0.17 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.09 2aqs s HIS 81 CO 0.14 0.52 1.65 1.05 -0.85 0.00 0.00 174.74 177.26 2aqs h GLU 82 N 2.36 -0.18 -6.23 1.40 4.11 -1.11 -2.52 114.58 112.42 2aqs h GLU 82 Ca -0.47 0.01 -0.57 0.00 0.07 0.00 0.00 59.36 58.39 2aqs h GLU 82 Cb 1.21 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2aqs h GLU 82 CO 0.62 -0.12 -0.15 -0.80 0.07 0.00 0.00 179.01 178.63 2aqs s ASN 83 N -5.07 6.76 -1.62 3.06 0.01 0.41 -4.57 114.94 113.91 2aqs s ASN 83 Ca -0.14 0.97 -0.10 0.00 -0.71 0.00 0.00 52.86 52.87 2aqs s ASN 83 Cb 0.12 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.45 2aqs s ASN 83 CO 0.68 0.14 2.95 -0.81 -1.51 0.00 0.00 177.10 178.55 2aqs n PRO 84 N 0.89 3.73 -3.71 -0.60 -0.04 -1.25 -3.18 135.00 130.84 2aqs n PRO 84 Ca -0.07 -2.24 -0.14 0.00 -0.04 0.00 0.00 63.50 61.02 2aqs n PRO 84 Cb 0.52 -2.80 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 2aqs n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqs s SER 85 N 2.12 -0.35 -0.04 3.54 0.15 -1.26 -4.96 113.70 112.91 2aqs s SER 85 Ca 0.69 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.83 2aqs s SER 85 Cb 0.18 0.53 0.08 0.00 -1.71 0.00 0.00 66.02 65.10 2aqs s SER 85 CO -0.06 -0.37 1.00 0.00 1.20 0.00 0.00 173.24 175.01 2aqs s GLU 87 N -1.40 3.16 0.63 0.00 2.02 -1.26 -3.79 118.70 118.06 2aqs s GLU 87 Ca 0.09 1.52 -0.09 0.00 0.02 0.00 0.00 54.97 56.50 2aqs s GLU 87 Cb 0.08 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 2aqs s GLU 87 CO 0.01 -0.99 0.99 -1.25 0.02 0.00 0.00 175.26 174.05 2aqs s PRO 88 N -3.60 3.14 -0.05 0.39 0.04 -1.26 -0.21 135.00 133.46 2aqs s PRO 88 Ca 0.70 0.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 2aqs s PRO 88 Cb -0.22 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.19 2aqs s PRO 88 CO 0.32 -0.74 0.16 0.15 0.04 0.00 0.00 177.00 176.94 2aqs s LYS 89 N -5.15 0.27 0.09 4.56 1.02 -0.29 -4.62 119.74 115.62 2aqs s LYS 89 Ca 0.55 0.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.30 2aqs s LYS 89 Cb -0.11 0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.24 2aqs s LYS 89 CO 0.50 -0.05 1.61 -1.21 -0.92 0.00 0.00 175.35 175.28 2aqs s GLU 90 N -0.29 4.21 -0.27 1.68 0.41 -1.26 -0.95 118.70 122.23 2aqs s GLU 90 Ca -0.04 2.31 -0.01 0.00 -0.41 0.00 0.00 54.97 56.82 2aqs s GLU 90 Cb -0.03 -3.47 0.08 0.00 -1.78 0.00 0.00 34.13 28.93 2aqs s GLU 90 CO 0.01 -0.68 0.05 -2.00 -0.49 0.00 0.00 175.26 172.15 2aqs s GLU 91 N 2.18 0.92 -1.28 1.61 -6.30 0.18 -4.82 118.70 111.19 2aqs s GLU 91 Ca 0.72 -0.94 -0.01 0.00 -2.50 0.00 0.00 54.97 52.24 2aqs s GLU 91 Cb -0.40 -2.21 0.00 0.00 0.00 0.00 0.00 34.13 31.52 2aqs s GLU 91 CO 0.32 -0.82 0.84 0.39 0.02 0.00 0.00 175.26 176.01 2aqs n GLU 92 N 4.83 -5.70 -1.00 4.30 1.02 -1.26 -2.30 120.64 120.52 2aqs n GLU 92 Ca -0.05 0.71 -0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2aqs n GLU 92 Cb 0.44 -5.47 -0.00 0.00 -0.02 0.00 0.00 31.44 26.38 2aqs n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqs n GLY 93 N -1.44 0.46 3.01 0.62 0.00 -1.26 -5.03 105.19 101.55 2aqs n GLY 93 Ca -0.27 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2aqs n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqs s GLU 94 N -0.33 1.68 -0.40 1.61 0.41 -0.97 -5.08 118.70 115.62 2aqs s GLU 94 Ca 0.00 -0.39 -0.28 0.00 -0.41 0.00 0.00 54.97 53.88 2aqs s GLU 94 Cb 0.00 -1.44 -0.00 0.00 -1.78 0.00 0.00 34.13 30.91 2aqs s GLU 94 CO 0.00 -0.02 1.58 -1.17 -0.49 0.00 0.00 175.26 175.16 2aqs s LEU 95 N 0.83 3.53 -0.21 1.80 2.96 -1.26 0.48 118.68 126.80 2aqs s LEU 95 Ca -0.11 0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 54.68 2aqs s LEU 95 Cb -0.15 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2aqs s LEU 95 CO 0.02 -1.59 0.07 -0.89 -1.32 0.00 0.00 176.35 172.63 2aqs s THR 96 N 6.17 4.59 0.32 3.68 2.01 -0.13 -4.91 115.64 127.37 2aqs s THR 96 Ca 0.68 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 2aqs s THR 96 Cb -0.17 -3.10 -0.12 0.00 0.01 0.00 0.00 72.50 69.12 2aqs s THR 96 CO 0.32 0.40 1.46 0.00 -0.69 0.00 0.00 174.62 176.11 2aqs n ALA 97 N 4.18 1.98 -0.88 7.40 0.00 -1.26 -1.14 120.51 130.79 2aqs n ALA 97 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2aqs n ALA 97 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2aqs n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqs n GLY 98 N 1.31 0.03 0.30 0.00 0.00 -1.23 -4.48 105.19 101.12 2aqs n GLY 98 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.28 2aqs n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqs h LEU 99 N 0.00 0.00 -2.10 0.99 3.38 -1.55 -1.72 115.31 114.31 2aqs h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqs h LEU 99 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2aqs h LEU 99 CO 0.00 0.00 0.00 1.23 0.09 0.00 0.00 178.44 179.76 2aqs h GLY 100 N 0.53 0.00 2.00 0.83 0.00 -0.85 -1.82 103.07 103.76 2aqs h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqs h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aqs h ALA 101 N 2.02 1.00 -0.03 3.60 0.00 -1.08 -3.42 119.26 121.35 2aqs h ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aqs h ALA 101 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2aqs h ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2aqs n GLY 102 N 0.16 -1.62 0.97 0.00 0.00 -0.69 -0.45 105.19 103.57 2aqs n GLY 102 Ca 0.02 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 2aqs n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqs n GLY 103 N 0.00 0.05 3.76 -0.02 0.00 -1.26 -4.71 105.19 103.00 2aqs n GLY 103 Ca 0.00 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2aqs n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqs s HIS 104 N -0.99 2.80 -0.03 1.61 3.76 -1.26 -1.18 115.29 119.99 2aqs s HIS 104 Ca 0.17 0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 55.74 2aqs s HIS 104 Cb -0.01 -3.98 -0.07 0.00 1.11 0.00 0.00 32.58 29.63 2aqs s HIS 104 CO 0.12 -3.14 1.90 -0.46 -0.85 0.00 0.00 174.74 172.30 2aqs s TRP 105 N -0.29 1.49 -0.39 1.40 -0.00 0.69 -4.53 118.94 117.30 2aqs s TRP 105 Ca 0.59 -0.12 0.11 0.00 -0.00 0.00 0.00 56.10 56.68 2aqs s TRP 105 Cb -0.46 -4.11 0.33 0.00 -0.00 0.00 0.00 33.47 29.23 2aqs s TRP 105 CO 0.50 -4.81 0.71 -3.47 -0.00 0.00 0.00 176.95 169.88 2aqs n ASP 106 N 7.99 0.99 0.15 5.86 2.03 -1.26 -1.20 116.55 131.11 2aqs n ASP 106 Ca 0.20 -3.00 0.07 0.00 0.52 0.00 0.00 54.79 52.58 2aqs n ASP 106 Cb 0.42 -0.62 0.56 0.00 -0.72 0.00 0.00 41.12 40.76 2aqs n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqs h PRO 107 N 3.19 0.20 -0.23 -0.67 0.13 -1.98 -2.04 132.00 130.60 2aqs h PRO 107 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2aqs h PRO 107 Cb 0.92 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2aqs h PRO 107 CO 0.52 0.13 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 2aqs n LYS 108 N -4.51 1.67 -3.69 0.86 5.02 -1.26 -4.96 118.16 111.29 2aqs n LYS 108 Ca -0.00 -1.02 -0.22 0.00 -2.02 0.00 0.00 58.31 55.05 2aqs n LYS 108 Cb 0.10 -1.31 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 2aqs n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqs n GLY 109 N 1.03 -0.35 0.15 0.72 0.00 -0.77 -4.88 105.19 101.10 2aqs n GLY 109 Ca 0.13 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.30 2aqs n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqs h ALA 110 N 0.90 0.89 -4.07 4.61 0.00 -1.85 -3.47 119.26 116.26 2aqs h ALA 110 Ca -0.60 -0.49 -0.33 0.00 0.00 0.00 0.00 54.91 53.49 2aqs h ALA 110 Cb 1.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2aqs h ALA 110 CO 0.57 0.67 -0.45 1.63 0.00 0.00 0.00 179.25 181.67 2aqs n LYS 111 N -3.59 -2.78 -3.57 0.00 5.02 -1.26 -4.84 118.16 107.14 2aqs n LYS 111 Ca -0.00 0.71 -0.15 0.00 -2.02 0.00 0.00 58.31 56.85 2aqs n LYS 111 Cb 0.61 -5.39 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 2aqs n LYS 111 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aqs s GLN 112 N -5.33 0.87 0.12 1.97 -2.07 -1.26 -5.08 119.66 108.89 2aqs s GLN 112 Ca 0.12 0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 53.88 2aqs s GLN 112 Cb -0.06 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.20 2aqs s GLN 112 CO 0.15 -0.22 0.72 -1.58 -1.32 0.00 0.00 175.29 173.04 2aqs s HIS 113 N -0.65 3.85 0.00 9.60 5.65 -1.26 -1.74 115.29 130.73 2aqs s HIS 113 Ca -0.05 1.51 0.00 0.00 0.25 0.00 0.00 55.06 56.77 2aqs s HIS 113 Cb -0.02 -2.71 0.00 0.00 -1.18 0.00 0.00 32.58 28.67 2aqs s HIS 113 CO 0.05 0.49 0.00 0.41 -0.65 0.00 0.00 174.74 175.03 2aqs n GLY 114 N 1.78 3.68 3.88 1.59 0.00 -1.26 -4.03 105.19 110.84 2aqs n GLY 114 Ca -0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2aqs n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqs s TYR 115 N -1.32 3.57 0.40 1.61 2.02 -1.25 -4.57 117.35 117.81 2aqs s TYR 115 Ca 0.00 1.14 0.22 0.00 -0.37 0.00 0.00 57.07 58.06 2aqs s TYR 115 Cb 0.00 -2.57 1.22 0.00 -0.40 0.00 0.00 41.96 40.21 2aqs s TYR 115 CO 0.00 -0.45 2.01 -1.35 -1.57 0.00 0.00 175.55 174.18 2aqs h PRO 116 N 0.20 0.00 -0.60 -1.71 0.11 -1.86 -2.21 132.00 125.93 2aqs h PRO 116 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2aqs h PRO 116 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aqs h PRO 116 CO 0.62 0.18 0.00 -2.67 -0.21 0.00 0.00 178.00 175.92 2aqs n TRP 117 N -3.85 1.74 -3.69 0.65 2.14 -1.26 -4.25 117.44 108.92 2aqs n TRP 117 Ca -0.02 -0.68 -0.38 0.00 2.07 0.00 0.00 57.50 58.50 2aqs n TRP 117 Cb 0.27 -0.37 -0.12 0.00 -0.81 0.00 0.00 31.31 30.28 2aqs n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqs s GLN 118 N -2.30 3.56 0.42 -2.67 0.74 -0.83 -5.00 119.66 113.57 2aqs s GLN 118 Ca 0.52 -0.56 0.14 0.00 0.05 0.00 0.00 55.36 55.52 2aqs s GLN 118 Cb 0.37 -3.47 0.90 0.00 1.10 0.00 0.00 33.01 31.91 2aqs s GLN 118 CO 0.20 -0.29 1.92 -0.44 -0.55 0.00 0.00 175.29 176.14 2aqs h ASP 119 N 8.30 0.00 -1.20 6.67 3.32 -1.90 -3.01 116.42 128.60 2aqs h ASP 119 Ca -0.35 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.00 2aqs h ASP 119 Cb 1.16 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 2aqs h ASP 119 CO 0.59 0.26 0.91 -0.90 -1.72 0.00 0.00 179.24 178.38 2aqs n ASP 120 N -4.19 7.66 -4.35 6.45 3.85 -1.26 -4.90 116.55 119.81 2aqs n ASP 120 Ca -0.02 -3.79 -0.18 0.00 -0.71 0.00 0.00 54.79 50.09 2aqs n ASP 120 Cb 0.31 -1.00 -0.10 0.00 -1.35 0.00 0.00 41.12 38.98 2aqs n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqs s ALA 121 N -3.85 2.02 0.18 2.12 0.00 -1.14 -4.65 121.76 116.44 2aqs s ALA 121 Ca 0.62 -1.66 -0.33 0.00 0.00 0.00 0.00 51.96 50.59 2aqs s ALA 121 Cb 0.49 -0.09 -0.15 0.00 0.00 0.00 0.00 23.12 23.37 2aqs s ALA 121 CO -0.10 0.07 1.18 0.72 0.00 0.00 0.00 175.76 177.63 2aqs n HIS 122 N -0.37 1.37 0.31 0.00 8.25 -0.71 -4.75 115.22 119.31 2aqs n HIS 122 Ca -0.08 0.66 0.19 0.00 -0.26 0.00 0.00 57.72 58.23 2aqs n HIS 122 Cb 0.60 -2.29 0.98 0.00 1.12 0.00 0.00 29.99 30.40 2aqs n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqs h LEU 123 N 3.43 0.00 -0.56 2.41 5.85 -1.89 -2.12 115.31 122.43 2aqs h LEU 123 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2aqs h LEU 123 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2aqs h LEU 123 CO 0.70 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 2aqs n GLY 124 N -0.69 -0.37 3.58 3.75 0.00 -0.34 -4.81 105.19 106.31 2aqs n GLY 124 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2aqs n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqs s ASP 125 N -1.67 6.33 0.40 1.61 1.01 -0.80 -0.50 116.67 123.04 2aqs s ASP 125 Ca 0.33 0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.90 2aqs s ASP 125 Cb 0.17 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.55 2aqs s ASP 125 CO 0.26 -1.55 0.52 -0.76 0.21 0.00 0.00 175.17 173.85 2aqs s LEU 126 N 5.36 3.71 0.64 1.23 1.43 -0.97 -4.04 118.68 126.04 2aqs s LEU 126 Ca 0.48 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 2aqs s LEU 126 Cb -0.09 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 2aqs s LEU 126 CO 0.26 -0.66 1.14 -2.84 0.23 0.00 0.00 176.35 174.48 2aqs s PRO 127 N -4.28 2.82 0.54 1.29 0.02 -1.26 -4.62 135.00 129.52 2aqs s PRO 127 Ca 0.52 1.55 -0.21 0.00 0.02 0.00 0.00 61.00 62.88 2aqs s PRO 127 Cb -0.09 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2aqs s PRO 127 CO 0.32 -1.26 1.25 0.00 -0.33 0.00 0.00 177.00 176.97 2aqs s ALA 128 N -2.07 2.75 0.13 -1.55 0.00 -1.26 -4.46 121.76 115.30 2aqs s ALA 128 Ca 0.71 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 53.62 2aqs s ALA 128 Cb -0.24 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 2aqs s ALA 128 CO 0.38 -1.09 0.53 -1.17 0.00 0.00 0.00 175.76 174.41 2aqs s LEU 129 N -3.60 4.35 -0.19 0.00 2.96 -0.44 -4.89 118.68 116.87 2aqs s LEU 129 Ca 0.72 1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 55.64 2aqs s LEU 129 Cb -0.33 -3.21 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 2aqs s LEU 129 CO 0.38 0.12 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.59 2aqs s THR 130 N -1.44 3.41 -0.21 3.68 2.01 -1.26 -0.77 115.64 121.06 2aqs s THR 130 Ca 0.37 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 2aqs s THR 130 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 2aqs s THR 130 CO 0.19 0.45 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 2aqs s VAL 131 N 1.11 3.63 1.05 3.82 1.01 -0.25 -4.47 120.40 126.30 2aqs s VAL 131 Ca 0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 2aqs s VAL 131 Cb -0.15 -2.65 0.22 0.00 0.00 0.00 0.00 36.38 33.80 2aqs s VAL 131 CO -0.01 0.42 1.12 -0.76 0.00 0.00 0.00 175.10 175.87 2aqs s LEU 132 N 1.25 1.40 0.37 3.92 1.43 0.25 -0.32 118.68 126.98 2aqs s LEU 132 Ca 0.03 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 2aqs s LEU 132 Cb -0.14 -2.97 0.80 0.00 0.03 0.00 0.00 46.19 43.91 2aqs s LEU 132 CO -0.00 -3.36 1.92 -0.74 0.23 0.00 0.00 176.35 174.39 2aqs h HIS 133 N -2.06 0.76 0.00 0.29 -0.00 -1.97 0.36 115.15 112.54 2aqs h HIS 133 Ca -0.51 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2aqs h HIS 133 Cb 1.32 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2aqs h HIS 133 CO -0.52 0.35 0.00 -0.40 -0.00 0.00 0.00 177.93 177.35 2aqs n ASP 134 N -4.51 0.00 0.00 3.26 3.85 -1.26 -4.78 116.55 113.11 2aqs n ASP 134 Ca 0.14 -1.54 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 2aqs n ASP 134 Cb 0.35 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 2aqs n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqs n GLY 135 N 0.58 0.73 3.96 6.12 0.00 0.12 -4.66 105.19 112.04 2aqs n GLY 135 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2aqs n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqs s THR 136 N -2.88 5.23 -0.12 2.61 -4.23 -1.26 -1.86 115.64 113.14 2aqs s THR 136 Ca 0.00 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 2aqs s THR 136 Cb 0.00 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.05 2aqs s THR 136 CO 0.00 -0.35 0.18 0.00 -0.54 0.00 0.00 174.62 173.91 2aqs s ALA 137 N -2.03 -0.20 0.00 3.99 0.00 -0.50 -0.58 121.76 122.45 2aqs s ALA 137 Ca 0.36 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2aqs s ALA 137 Cb -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2aqs s ALA 137 CO 0.30 -0.73 0.05 0.25 0.00 0.00 0.00 175.76 175.63 2aqs n THR 138 N 5.33 0.00 -2.47 0.00 -2.24 -1.26 -1.54 114.28 112.10 2aqs n THR 138 Ca -0.05 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 2aqs n THR 138 Cb 0.50 1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 70.47 2aqs n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqs s ASN 139 N -0.02 6.80 0.59 3.42 3.04 -1.26 -4.51 114.94 123.00 2aqs s ASN 139 Ca 0.00 1.30 -0.15 0.00 0.04 0.00 0.00 52.86 54.04 2aqs s ASN 139 Cb 0.00 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.13 2aqs s ASN 139 CO 0.00 -0.95 1.04 -2.16 -3.04 0.00 0.00 177.10 171.99 2aqs s PRO 140 N 3.88 3.42 0.05 0.43 0.04 -1.26 -4.48 135.00 137.08 2aqs s PRO 140 Ca 0.53 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2aqs s PRO 140 Cb -0.17 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2aqs s PRO 140 CO 0.19 -0.73 -0.10 0.14 0.04 0.00 0.00 177.00 176.55 2aqs s VAL 141 N -2.53 0.71 -0.11 -0.36 -7.23 -0.57 -4.97 120.40 105.34 2aqs s VAL 141 Ca 0.62 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 2aqs s VAL 141 Cb -0.15 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2aqs s VAL 141 CO 0.37 -0.36 0.02 -0.22 -0.31 0.00 0.00 175.10 174.61 2aqs s LEU 142 N -1.68 3.67 -0.60 1.32 2.96 -1.26 -0.82 118.68 122.27 2aqs s LEU 142 Ca -0.07 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2aqs s LEU 142 Cb -0.09 -1.86 0.15 0.00 0.50 0.00 0.00 46.19 44.89 2aqs s LEU 142 CO 0.01 0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.77 2aqs s ALA 143 N -0.64 3.52 0.62 5.97 0.00 -0.14 -4.52 121.76 126.57 2aqs s ALA 143 Ca 0.11 -3.26 0.33 0.00 0.00 0.00 0.00 51.96 49.13 2aqs s ALA 143 Cb -0.12 -2.54 1.87 0.00 0.00 0.00 0.00 23.12 22.33 2aqs s ALA 143 CO 0.02 -2.08 2.18 -1.00 0.00 0.00 0.00 175.76 174.88 2aqs h PRO 144 N 6.90 0.00 0.00 0.00 0.13 -1.78 -2.20 132.00 135.05 2aqs h PRO 144 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2aqs h PRO 144 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aqs h PRO 144 CO 0.71 0.00 -0.27 0.54 -0.23 0.00 0.00 178.00 178.75 2aqs n ARG 145 N -3.56 0.02 -3.55 0.86 1.74 -1.26 -4.54 116.66 106.36 2aqs n ARG 145 Ca -0.01 0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 2aqs n ARG 145 Cb 0.22 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 2aqs n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqs s LEU 146 N -3.09 4.20 -0.15 0.55 1.43 -0.84 -4.97 118.68 115.81 2aqs s LEU 146 Ca 0.12 -0.14 0.14 0.00 -1.03 0.00 0.00 54.13 53.23 2aqs s LEU 146 Cb 0.18 -2.15 -0.20 0.00 0.03 0.00 0.00 46.19 44.05 2aqs s LEU 146 CO 0.62 -0.13 0.07 0.29 0.23 0.00 0.00 176.35 177.43 2aqs n LYS 147 N 5.10 1.37 -4.95 1.70 4.76 -1.26 -0.86 118.16 124.02 2aqs n LYS 147 Ca -0.13 -0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.03 2aqs n LYS 147 Cb 0.51 -1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 32.14 2aqs n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqs s HIS 148 N -2.42 1.82 0.17 2.13 3.76 -1.26 -4.77 115.29 114.73 2aqs s HIS 148 Ca -0.08 -0.44 -0.15 0.00 -0.15 0.00 0.00 55.06 54.25 2aqs s HIS 148 Cb 0.05 -1.20 0.14 0.00 1.11 0.00 0.00 32.58 32.68 2aqs s HIS 148 CO 0.65 -0.10 1.72 -0.07 -0.85 0.00 0.00 174.74 176.08 2aqs h LEU 149 N 5.93 -0.03 -1.97 0.89 3.38 -1.94 -2.08 115.31 119.49 2aqs h LEU 149 Ca -0.35 0.08 0.24 0.00 0.09 0.00 0.00 57.88 57.93 2aqs h LEU 149 Cb 1.16 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2aqs h LEU 149 CO 0.48 0.02 0.59 0.44 0.09 0.00 0.00 178.44 180.06 2aqs h ASP 150 N 0.19 0.02 -0.29 -0.43 3.45 -1.97 -1.58 116.42 115.82 2aqs h ASP 150 Ca 0.21 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.64 2aqs h ASP 150 Cb 0.28 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 2aqs h ASP 150 CO -0.30 0.01 0.07 0.44 -1.57 0.00 0.00 179.24 177.89 2aqs h ASP 151 N 0.02 0.52 0.40 6.45 3.45 -1.80 -2.74 116.42 122.72 2aqs h ASP 151 Ca 0.39 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.77 2aqs h ASP 151 Cb 1.54 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.18 2aqs h ASP 151 CO -0.01 0.54 -0.21 1.33 -1.57 0.00 0.00 179.24 179.32 2aqs n VAL 152 N -4.31 0.00 -2.21 -1.35 0.24 -0.60 -4.88 118.33 105.22 2aqs n VAL 152 Ca 0.02 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 2aqs n VAL 152 Cb 0.21 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 2aqs n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqs s ARG 153 N -2.62 4.08 0.00 7.34 0.52 -1.04 -3.23 118.95 124.00 2aqs s ARG 153 Ca 0.23 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 2aqs s ARG 153 Cb 0.19 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2aqs s ARG 153 CO 0.53 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.92 2aqs n GLY 154 N 0.70 0.62 1.39 -3.53 0.00 -0.22 -5.02 105.19 99.13 2aqs n GLY 154 Ca 0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 2aqs n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqs n HIS 155 N -2.75 -0.32 -4.33 1.61 8.25 -1.20 -3.80 115.22 112.68 2aqs n HIS 155 Ca 0.00 -1.21 -0.18 0.00 -0.26 0.00 0.00 57.72 56.07 2aqs n HIS 155 Cb 0.06 0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 2aqs n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqs s SER 156 N -2.01 2.45 -0.11 0.41 1.04 -0.95 -0.17 113.70 114.35 2aqs s SER 156 Ca 0.17 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2aqs s SER 156 Cb 0.01 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2aqs s SER 156 CO 0.12 -0.19 -0.18 -0.51 0.98 0.00 0.00 173.24 173.46 2aqs s ILE 157 N -2.97 2.61 -0.02 -1.02 2.07 0.46 -0.16 121.20 122.17 2aqs s ILE 157 Ca 0.21 -0.83 0.07 0.00 -1.41 0.00 0.00 60.65 58.70 2aqs s ILE 157 Cb -0.01 -2.05 -0.02 0.00 0.13 0.00 0.00 42.46 40.51 2aqs s ILE 157 CO 0.06 0.54 -0.24 -0.32 -1.91 0.00 0.00 174.94 173.07 2aqs s MET 158 N 0.28 2.15 -0.17 3.50 -2.45 0.10 -1.53 119.30 121.19 2aqs s MET 158 Ca -0.13 -0.91 0.01 0.00 -1.25 0.00 0.00 55.69 53.42 2aqs s MET 158 Cb -0.16 -2.08 0.02 0.00 1.25 0.00 0.00 34.83 33.85 2aqs s MET 158 CO 0.07 0.57 -0.20 0.42 1.05 0.00 0.00 175.02 176.92 2aqs s ILE 159 N -0.64 2.04 0.40 10.11 1.01 0.17 -1.75 121.20 132.54 2aqs s ILE 159 Ca 0.10 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2aqs s ILE 159 Cb -0.10 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2aqs s ILE 159 CO -0.01 0.54 0.62 -1.00 0.00 0.00 0.00 174.94 175.09 2aqs s HIS 160 N 1.17 3.41 0.08 3.97 3.76 0.03 -0.46 115.29 127.26 2aqs s HIS 160 Ca 0.02 0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 55.11 2aqs s HIS 160 Cb -0.14 -2.09 -0.08 0.00 1.11 0.00 0.00 32.58 31.38 2aqs s HIS 160 CO -0.10 -0.09 1.52 1.15 -0.85 0.00 0.00 174.74 176.37 2aqs h THR 161 N 0.57 1.26 -3.00 1.30 2.02 -1.13 -3.37 112.91 110.56 2aqs h THR 161 Ca -0.48 -0.92 -0.46 0.00 0.77 0.00 0.00 66.41 65.33 2aqs h THR 161 Cb 1.23 1.36 0.13 0.00 -1.74 0.00 0.00 68.15 69.13 2aqs h THR 161 CO 0.60 0.29 0.27 -0.83 0.37 0.00 0.00 175.52 176.22 2aqs s GLY 162 N -3.14 1.78 0.00 2.16 0.00 0.39 -4.86 107.32 103.65 2aqs s GLY 162 Ca -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2aqs s GLY 162 CO 0.75 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 173.62 2aqs n GLY 163 N -3.33 1.25 3.16 0.20 0.00 -1.24 -0.70 105.19 104.52 2aqs n GLY 163 Ca 0.16 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.69 2aqs n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqs s ASP 164 N -1.00 -1.31 -0.02 1.61 -1.08 -1.22 -3.00 116.67 110.66 2aqs s ASP 164 Ca 0.00 0.84 0.17 0.00 -0.52 0.00 0.00 52.55 53.05 2aqs s ASP 164 Cb 0.00 2.11 0.53 0.00 -1.46 0.00 0.00 42.92 44.10 2aqs s ASP 164 CO 0.00 -0.25 1.44 -0.46 0.52 0.00 0.00 175.17 176.42 2aqs n ASN 165 N 5.43 3.29 -3.80 -0.34 6.94 -0.75 -4.91 115.26 121.13 2aqs n ASN 165 Ca -0.02 -2.07 -0.26 0.00 -0.02 0.00 0.00 54.58 52.22 2aqs n ASN 165 Cb 0.51 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.55 2aqs n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqs n HIS 166 N 1.16 -2.18 -3.59 -2.53 8.25 -1.26 -4.98 115.22 110.09 2aqs n HIS 166 Ca 0.20 0.89 -0.11 0.00 -0.26 0.00 0.00 57.72 58.44 2aqs n HIS 166 Cb 0.54 -4.23 -0.03 0.00 1.12 0.00 0.00 29.99 27.39 2aqs n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqs s SER 167 N -3.76 -0.37 0.00 0.41 0.15 -1.26 -3.88 113.70 104.99 2aqs s SER 167 Ca 0.38 -0.25 0.19 0.00 0.70 0.00 0.00 55.95 56.96 2aqs s SER 167 Cb -0.19 0.57 0.52 0.00 -1.71 0.00 0.00 66.02 65.20 2aqs s SER 167 CO 0.82 -0.98 1.43 0.47 1.20 0.00 0.00 173.24 176.17 2aqs n ASP 168 N -0.33 2.96 -4.00 5.45 8.00 -1.26 -0.08 116.55 127.29 2aqs n ASP 168 Ca -0.14 -1.97 -0.17 0.00 0.71 0.00 0.00 54.79 53.22 2aqs n ASP 168 Cb 0.64 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 41.26 2aqs n ASP 168 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2aqs s HIS 169 N -1.33 0.66 -1.38 1.24 3.76 -1.26 -3.46 115.29 113.52 2aqs s HIS 169 Ca 0.38 -0.16 0.28 0.00 -0.15 0.00 0.00 55.06 55.41 2aqs s HIS 169 Cb 0.20 -0.42 1.39 0.00 1.11 0.00 0.00 32.58 34.86 2aqs s HIS 169 CO 0.27 -0.01 1.96 -0.35 -0.85 0.00 0.00 174.74 175.75 2aqs n PRO 170 N 2.74 0.35 -4.72 8.40 -0.04 -1.26 -4.97 135.00 135.50 2aqs n PRO 170 Ca -0.14 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 2aqs n PRO 170 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2aqs n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqs s ALA 171 N -2.62 1.82 0.71 0.55 0.00 -1.25 -5.09 121.76 115.87 2aqs s ALA 171 Ca 0.25 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2aqs s ALA 171 Cb 0.19 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2aqs s ALA 171 CO 0.44 0.42 1.20 -1.25 0.00 0.00 0.00 175.76 176.57 2aqs s PRO 172 N -1.11 2.30 -1.58 0.00 0.04 -1.23 -3.45 135.00 129.97 2aqs s PRO 172 Ca 0.08 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 2aqs s PRO 172 Cb -0.09 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2aqs s PRO 172 CO 0.01 -1.71 0.84 1.28 0.04 0.00 0.00 177.00 177.46 2aqs n LEU 173 N -2.55 -2.19 0.00 -3.56 4.77 -1.26 -2.00 117.00 110.21 2aqs n LEU 173 Ca 0.13 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2aqs n LEU 173 Cb 0.50 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 2aqs n LEU 173 CO 0.47 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2aqs n GLY 174 N -1.59 0.29 2.05 -0.72 0.00 0.89 -2.93 105.19 103.18 2aqs n GLY 174 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2aqs n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqs n GLY 175 N -1.13 0.48 0.29 -0.02 0.00 -0.85 -1.81 105.19 102.15 2aqs n GLY 175 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 2aqs n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqs h GLY 176 N 0.00 0.77 0.00 -0.02 0.00 -1.44 -3.33 103.07 99.05 2aqs h GLY 176 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2aqs h GLY 176 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.59 2aqs n GLY 177 N -0.91 2.78 3.57 4.60 0.00 -1.26 -0.46 105.19 113.51 2aqs n GLY 177 Ca 0.03 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2aqs n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqs n PRO 178 N 13.71 0.06 -3.22 1.61 -0.02 -1.26 -4.77 135.00 141.11 2aqs n PRO 178 Ca 0.00 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2aqs n PRO 178 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 2aqs n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqs s ARG 179 N -3.71 3.60 -0.13 -0.52 0.52 -1.26 -1.13 118.95 116.32 2aqs s ARG 179 Ca 0.67 -0.16 -0.14 0.00 -0.52 0.00 0.00 55.73 55.58 2aqs s ARG 179 Cb -0.28 -3.82 -0.25 0.00 0.52 0.00 0.00 34.95 31.11 2aqs s ARG 179 CO 0.57 -0.67 0.44 1.98 0.02 0.00 0.00 175.30 177.64 2aqs h MET 180 N 8.48 0.21 -3.88 3.54 4.05 -1.03 -3.45 114.93 122.86 2aqs h MET 180 Ca -0.28 -0.36 -0.13 0.00 -0.28 0.00 0.00 59.70 58.66 2aqs h MET 180 Cb 1.12 0.13 -0.17 0.00 -0.80 0.00 0.00 31.60 31.88 2aqs h MET 180 CO 0.79 1.17 -0.55 0.00 0.23 0.00 0.00 176.91 178.54 2aqs s ALA 181 N -2.48 0.02 0.05 0.39 0.00 -0.36 -0.62 121.76 118.77 2aqs s ALA 181 Ca -0.22 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 2aqs s ALA 181 Cb 0.05 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.47 2aqs s ALA 181 CO 0.74 -0.32 0.50 0.00 0.00 0.00 0.00 175.76 176.68 2aqs s GLY 183 N -2.03 -0.11 -0.20 0.00 0.00 -0.58 -0.80 107.32 103.59 2aqs s GLY 183 Ca -0.05 0.24 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 2aqs s GLY 183 CO -0.03 0.05 0.11 0.14 0.00 0.00 0.00 173.10 173.38 2aqs s VAL 184 N -1.27 5.12 -0.42 1.40 1.01 -1.26 -0.41 120.40 124.57 2aqs s VAL 184 Ca -0.13 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2aqs s VAL 184 Cb -0.06 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2aqs s VAL 184 CO 0.03 0.42 0.87 -0.63 0.00 0.00 0.00 175.10 175.80 2aqs s ILE 185 N 0.56 4.58 -2.63 2.22 1.01 0.76 -4.72 121.20 122.97 2aqs s ILE 185 Ca 0.06 0.79 0.27 0.00 0.00 0.00 0.00 60.65 61.77 2aqs s ILE 185 Cb -0.12 -4.35 0.45 0.00 0.01 0.00 0.00 42.46 38.45 2aqs s ILE 185 CO 0.00 -0.68 1.62 0.29 0.00 0.00 0.00 174.94 176.17