#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agq s VAL 43 N 5.63 0.57 -0.04 0.00 -7.23 -0.48 -4.89 120.40 113.95 1agq s VAL 43 Ca 0.57 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.62 1agq s VAL 43 Cb -0.12 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1agq s VAL 43 CO 0.30 -0.25 0.36 -0.22 -0.31 0.00 0.00 175.10 174.97 1agq s LEU 44 N -3.23 4.43 -0.07 1.32 2.96 -1.26 -1.99 118.68 120.84 1agq s LEU 44 Ca 0.31 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 1agq s LEU 44 Cb 0.07 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1agq s LEU 44 CO 0.08 0.30 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.38 1agq s THR 45 N -0.84 1.31 -0.18 3.68 2.01 -0.10 -4.97 115.64 116.56 1agq s THR 45 Ca 0.22 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 1agq s THR 45 Cb -0.15 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1agq s THR 45 CO 0.11 0.39 0.01 0.00 -0.69 0.00 0.00 174.62 174.44 1agq s ALA 46 N 0.53 3.16 0.06 7.40 0.00 -1.26 -1.29 121.76 130.35 1agq s ALA 46 Ca -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1agq s ALA 46 Cb -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1agq s ALA 46 CO 0.04 0.12 -0.09 0.96 0.00 0.00 0.00 175.76 176.79 1agq s ILE 47 N 0.51 0.68 -0.27 0.00 -4.36 -0.25 -4.98 121.20 112.53 1agq s ILE 47 Ca -0.00 -1.24 -0.17 0.00 -0.26 0.00 0.00 60.65 58.98 1agq s ILE 47 Cb -0.14 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 1agq s ILE 47 CO 0.02 -0.41 0.47 -2.28 0.24 0.00 0.00 174.94 172.97 1agq s HIS 48 N -1.65 3.25 0.19 1.37 5.65 -1.26 -0.72 115.29 122.12 1agq s HIS 48 Ca -0.05 0.52 0.05 0.00 0.25 0.00 0.00 55.06 55.83 1agq s HIS 48 Cb -0.08 -2.69 -0.05 0.00 -1.18 0.00 0.00 32.58 28.58 1agq s HIS 48 CO 0.00 -0.29 -0.08 -0.51 -0.65 0.00 0.00 174.74 173.21 1agq s LEU 49 N 2.24 2.45 0.22 8.88 1.43 -0.49 -5.00 118.68 128.41 1agq s LEU 49 Ca 0.19 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1agq s LEU 49 Cb -0.16 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.55 1agq s LEU 49 CO 0.10 -0.34 0.64 0.20 0.23 0.00 0.00 176.35 177.18 1agq s ASN 50 N -3.26 6.87 0.48 2.29 0.01 -1.26 -0.84 114.94 119.22 1agq s ASN 50 Ca 0.22 1.21 0.15 0.00 -0.71 0.00 0.00 52.86 53.73 1agq s ASN 50 Cb 0.03 -2.34 1.15 0.00 0.41 0.00 0.00 41.25 40.49 1agq s ASN 50 CO 0.05 -0.00 2.08 0.58 -1.51 0.00 0.00 177.10 178.30 1agq h VAL 51 N 2.52 0.98 0.00 1.60 2.07 -1.01 0.57 116.25 122.98 1agq h VAL 51 Ca -0.48 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1agq h VAL 51 Cb 1.19 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1agq h VAL 51 CO 0.66 0.04 0.00 0.35 0.02 0.00 0.00 177.57 178.64 1agq n THR 52 N -4.49 0.89 0.28 2.57 -2.24 -1.26 -1.45 114.28 108.59 1agq n THR 52 Ca 0.02 0.32 0.15 0.00 -2.27 0.00 0.00 64.05 62.27 1agq n THR 52 Cb 0.19 -1.25 0.48 0.00 -2.10 0.00 0.00 70.33 67.65 1agq n THR 52 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1agq h ASP 53 N 0.00 0.00 0.72 3.42 3.32 -1.26 -3.21 116.42 119.41 1agq h ASP 53 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1agq h ASP 53 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1agq h ASP 53 CO 0.00 0.00 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.28 1agq h LEU 54 N 0.00 0.00 0.24 1.55 3.38 -1.34 -3.47 115.31 115.67 1agq h LEU 54 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1agq h LEU 54 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1agq h LEU 54 CO 0.00 0.17 -0.16 0.61 0.09 0.00 0.00 178.44 179.15 1agq n GLY 55 N -0.17 0.27 0.73 0.83 0.00 -1.21 -4.93 105.19 100.70 1agq n GLY 55 Ca -0.01 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1agq n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1agq n LEU 56 N -1.12 2.25 0.00 0.99 4.32 -1.26 -4.95 117.00 117.23 1agq n LEU 56 Ca -0.05 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 1agq n LEU 56 Cb 0.54 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1agq n LEU 56 CO 0.11 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1agq n GLY 57 N 1.27 2.39 3.70 -0.72 0.00 -1.26 -5.02 105.19 105.54 1agq n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1agq n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1agq s TYR 58 N -2.43 3.41 -0.16 1.61 2.02 -1.26 -5.00 117.35 115.54 1agq s TYR 58 Ca 0.00 1.41 -0.25 0.00 -0.37 0.00 0.00 57.07 57.86 1agq s TYR 58 Cb 0.00 -3.31 -0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1agq s TYR 58 CO 0.00 -0.82 0.81 -1.21 -1.57 0.00 0.00 175.55 172.75 1agq s GLU 59 N 1.62 4.31 0.01 -0.62 2.02 -1.26 -4.61 118.70 120.16 1agq s GLU 59 Ca 0.54 0.98 -0.29 0.00 0.02 0.00 0.00 54.97 56.22 1agq s GLU 59 Cb -0.24 -3.56 0.10 0.00 0.10 0.00 0.00 34.13 30.53 1agq s GLU 59 CO 0.24 -0.27 1.03 -0.08 0.02 0.00 0.00 175.26 176.20 1agq s THR 60 N 1.96 0.00 -1.75 3.63 -1.32 -1.26 -2.33 115.64 114.58 1agq s THR 60 Ca 0.38 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 60.77 1agq s THR 60 Cb -0.17 -1.45 0.10 0.00 -1.51 0.00 0.00 72.50 69.46 1agq s THR 60 CO 0.13 0.00 0.93 0.29 -2.21 0.00 0.00 174.62 173.77 1agq n LYS 61 N -0.32 1.20 -1.75 7.08 4.76 -1.26 -4.63 118.16 123.23 1agq n LYS 61 Ca -0.06 -1.26 -0.34 0.00 -2.87 0.00 0.00 58.31 53.77 1agq n LYS 61 Cb 0.61 -1.27 0.06 0.00 -1.84 0.00 0.00 35.03 32.59 1agq n LYS 61 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1agq s GLU 62 N -1.32 2.66 0.49 1.97 2.02 -1.26 -4.86 118.70 118.40 1agq s GLU 62 Ca 0.16 1.62 0.02 0.00 0.02 0.00 0.00 54.97 56.79 1agq s GLU 62 Cb 0.12 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 1agq s GLU 62 CO 0.22 -1.40 0.06 -1.21 0.02 0.00 0.00 175.26 172.94 1agq s GLU 63 N -3.80 2.14 0.11 1.61 2.02 -1.26 -0.41 118.70 119.10 1agq s GLU 63 Ca 0.72 -2.36 -0.25 0.00 0.02 0.00 0.00 54.97 53.10 1agq s GLU 63 Cb -0.26 -1.13 0.08 0.00 0.10 0.00 0.00 34.13 32.92 1agq s GLU 63 CO 0.40 -0.46 0.81 -0.48 0.02 0.00 0.00 175.26 175.54 1agq s LEU 64 N -3.79 -0.37 -0.29 1.80 2.34 -0.02 -4.69 118.68 113.65 1agq s LEU 64 Ca 0.10 -0.16 -0.10 0.00 0.06 0.00 0.00 54.13 54.03 1agq s LEU 64 Cb 0.01 2.29 -0.03 0.00 -0.56 0.00 0.00 46.19 47.91 1agq s LEU 64 CO 0.06 -0.86 0.15 -0.63 -1.06 0.00 0.00 176.35 174.01 1agq s ILE 65 N -3.42 4.81 -0.16 1.48 -1.09 -1.26 -1.40 121.20 120.15 1agq s ILE 65 Ca 0.06 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1agq s ILE 65 Cb -0.02 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1agq s ILE 65 CO -0.06 0.17 -0.02 0.12 -1.23 0.00 0.00 174.94 173.93 1agq s PHE 66 N 1.67 3.06 -0.10 3.97 5.36 0.10 -4.93 117.98 127.10 1agq s PHE 66 Ca 0.06 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 55.80 1agq s PHE 66 Cb -0.16 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1agq s PHE 66 CO 0.07 -0.02 -0.20 1.03 -1.46 0.00 0.00 175.22 174.65 1agq s ARG 67 N 0.39 3.10 0.13 10.12 0.52 -1.26 -1.09 118.95 130.85 1agq s ARG 67 Ca -0.03 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1agq s ARG 67 Cb -0.14 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1agq s ARG 67 CO 0.02 0.23 -0.12 1.52 0.02 0.00 0.00 175.30 176.98 1agq s TYR 68 N 0.24 1.30 -0.21 -0.53 1.13 -0.41 -0.93 117.35 117.94 1agq s TYR 68 Ca -0.13 -0.63 -0.12 0.00 -1.41 0.00 0.00 57.07 54.78 1agq s TYR 68 Cb -0.16 -0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 39.97 1agq s TYR 68 CO 0.07 0.10 0.21 0.00 -2.51 0.00 0.00 175.55 173.42 1agq s SER 70 N 0.73 -0.40 0.00 0.00 1.04 -0.84 -4.73 113.70 109.50 1agq s SER 70 Ca 0.11 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1agq s SER 70 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1agq s SER 70 CO 0.03 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1agq n GLY 71 N -0.23 3.10 3.83 7.32 0.00 -1.26 -1.38 105.19 116.57 1agq n GLY 71 Ca -0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1agq n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1agq s SER 72 N 0.00 6.88 -0.42 1.61 1.04 -1.25 -4.44 113.70 117.11 1agq s SER 72 Ca 0.00 1.51 0.10 0.00 0.48 0.00 0.00 55.95 58.04 1agq s SER 72 Cb 0.00 -2.47 0.39 0.00 0.10 0.00 0.00 66.02 64.05 1agq s SER 72 CO 0.00 -0.28 0.93 0.00 0.98 0.00 0.00 173.24 174.87 1agq n GLU 74 N -0.12 1.63 -3.77 0.00 -0.58 -1.26 -4.58 120.64 111.96 1agq n GLU 74 Ca 0.26 -1.14 -0.37 0.00 -0.42 0.00 0.00 57.16 55.48 1agq n GLU 74 Cb 0.64 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.89 1agq n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1agq s ALA 75 N -1.31 3.03 -0.88 0.62 0.00 -1.26 -5.04 121.76 116.92 1agq s ALA 75 Ca 0.21 -1.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.09 1agq s ALA 75 Cb 0.18 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1agq s ALA 75 CO 0.04 -1.38 1.77 0.00 0.00 0.00 0.00 175.76 176.20 1agq s ALA 76 N 1.36 2.05 0.10 0.00 0.00 -1.26 -4.82 121.76 119.20 1agq s ALA 76 Ca -0.01 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 50.26 1agq s ALA 76 Cb -0.20 -4.49 -0.11 0.00 0.00 0.00 0.00 23.12 18.32 1agq s ALA 76 CO 0.02 -4.30 1.37 1.49 0.00 0.00 0.00 175.76 174.34 1agq h GLU 77 N 11.41 0.75 -6.19 0.00 4.81 -1.96 -3.44 114.58 119.95 1agq h GLU 77 Ca 0.04 -0.47 -0.51 0.00 -0.13 0.00 0.00 59.36 58.30 1agq h GLU 77 Cb 1.03 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1agq h GLU 77 CO 1.27 1.09 -0.53 0.95 -0.73 0.00 0.00 179.01 181.07 1agq s THR 78 N -4.11 4.16 0.30 0.32 -4.23 -1.26 -5.01 115.64 105.82 1agq s THR 78 Ca -0.12 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1agq s THR 78 Cb 0.09 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1agq s THR 78 CO 0.86 -0.32 1.91 0.24 -0.54 0.00 0.00 174.62 176.77 1agq h MET 79 N 1.49 0.99 -0.25 3.99 2.86 -1.99 -1.46 114.93 120.55 1agq h MET 79 Ca -0.47 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.15 1agq h MET 79 Cb 1.24 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 1agq h MET 79 CO 0.60 0.65 0.02 -0.92 1.06 0.00 0.00 176.91 178.32 1agq h TYR 80 N 1.02 0.02 -0.05 -0.22 3.20 -1.97 0.11 116.97 119.07 1agq h TYR 80 Ca 0.39 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.17 1agq h TYR 80 Cb 0.22 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1agq h TYR 80 CO -0.00 -0.02 -0.49 -0.44 -1.64 0.00 0.00 178.16 175.57 1agq h ASP 81 N 0.10 0.15 -0.24 -2.11 3.32 -1.80 0.19 116.42 116.04 1agq h ASP 81 Ca 0.12 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1agq h ASP 81 Cb 0.14 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1agq h ASP 81 CO -0.19 0.62 0.06 0.11 -1.72 0.00 0.00 179.24 178.12 1agq h LYS 82 N 0.11 0.38 -0.44 3.56 1.57 -0.68 -2.07 116.57 119.00 1agq h LYS 82 Ca 0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1agq h LYS 82 Cb 0.91 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1agq h LYS 82 CO 0.07 0.48 0.19 0.82 -0.57 0.00 0.00 179.45 180.44 1agq h ILE 83 N 0.20 1.19 -0.48 1.86 2.04 -0.52 -1.92 117.51 119.88 1agq h ILE 83 Ca 0.07 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1agq h ILE 83 Cb 0.27 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1agq h ILE 83 CO 0.00 0.22 0.24 -0.07 0.00 0.00 0.00 178.15 178.54 1agq h LEU 84 N 0.57 0.35 -0.49 1.44 3.38 -0.82 -0.33 115.31 119.41 1agq h LEU 84 Ca 0.15 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1agq h LEU 84 Cb 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1agq h LEU 84 CO -0.02 0.24 0.29 0.50 0.09 0.00 0.00 178.44 179.55 1agq h LYS 85 N 0.48 0.55 -0.73 1.13 3.64 -1.19 -0.98 116.57 119.47 1agq h LYS 85 Ca 0.21 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1agq h LYS 85 Cb 0.12 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1agq h LYS 85 CO -0.15 0.37 0.20 -0.91 -2.27 0.00 0.00 179.45 176.69 1agq h ASN 86 N 0.57 1.08 0.90 4.20 2.35 -0.77 -1.39 115.58 122.51 1agq h ASN 86 Ca 0.20 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1agq h ASN 86 Cb 0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1agq h ASN 86 CO -0.10 1.02 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.41 1agq h LEU 87 N 1.09 0.00 0.20 1.61 3.38 -0.66 -0.29 115.31 120.64 1agq h LEU 87 Ca 0.23 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.93 1agq h LEU 87 Cb 0.34 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.12 1agq h LEU 87 CO -0.00 0.21 -1.24 -1.28 0.09 0.00 0.00 178.44 176.22 1agq h SER 88 N 0.00 0.65 -0.06 -0.43 0.87 -0.86 1.01 113.55 114.73 1agq h SER 88 Ca -0.00 -0.93 -0.13 0.00 -1.23 0.00 0.00 61.79 59.50 1agq h SER 88 Cb 0.72 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1agq h SER 88 CO 0.03 1.59 -0.39 0.03 -0.53 0.00 0.00 176.83 177.56 1agq h ARG 89 N -0.09 0.58 -0.14 2.24 3.08 -1.14 -2.14 114.38 116.76 1agq h ARG 89 Ca -0.22 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1agq h ARG 89 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1agq h ARG 89 CO 0.20 0.88 0.00 -1.13 -1.07 0.00 0.00 179.97 178.85 1agq n SER 90 N -4.04 0.94 -1.48 7.04 3.41 -0.13 -4.87 113.62 114.49 1agq n SER 90 Ca -0.02 -1.81 -0.18 0.00 -0.26 0.00 0.00 58.87 56.60 1agq n SER 90 Cb 0.51 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1agq n SER 90 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1agq n ARG 91 N -0.07 -1.45 0.25 4.33 0.63 -0.80 -4.84 116.66 114.72 1agq n ARG 91 Ca 0.10 1.10 0.16 0.00 -0.92 0.00 0.00 57.85 58.29 1agq n ARG 91 Cb 0.18 -5.45 0.54 0.00 0.45 0.00 0.00 32.46 28.18 1agq n ARG 91 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1agq h ARG 92 N 0.00 0.00 0.00 -0.14 9.65 0.78 -3.48 114.38 121.19 1agq h ARG 92 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1agq h ARG 92 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1agq h ARG 92 CO 0.55 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.60 1agq n LEU 93 N -3.04 0.00 0.00 3.80 4.77 -0.49 -5.00 117.00 117.04 1agq n LEU 93 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1agq n LEU 93 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1agq n LEU 93 CO 0.29 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.68 1agq n VAL 98 N 0.00 0.00 -3.51 4.08 0.24 -1.26 -4.66 118.33 113.22 1agq n VAL 98 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1agq n VAL 98 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 1agq n VAL 98 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1agq s GLY 99 N 0.00 1.98 0.96 7.63 0.00 -1.26 -5.08 107.32 111.55 1agq s GLY 99 Ca 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 44.72 43.00 1agq s GLY 99 CO 0.00 0.85 1.30 1.20 0.00 0.00 0.00 173.10 176.45 1agq s GLN 100 N 1.68 0.53 0.54 2.90 -0.21 -1.26 -5.01 119.66 118.84 1agq s GLN 100 Ca 0.05 -0.66 -0.21 0.00 0.02 0.00 0.00 55.36 54.56 1agq s GLN 100 Cb -0.18 -1.91 -0.06 0.00 1.00 0.00 0.00 33.01 31.86 1agq s GLN 100 CO 0.10 -2.43 1.10 0.00 -2.12 0.00 0.00 175.29 171.94 1agq n ALA 101 N -3.71 0.64 -2.58 6.09 0.00 -1.26 -5.02 120.51 114.67 1agq n ALA 101 Ca 0.17 0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 1agq n ALA 101 Cb 0.59 -2.18 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 1agq n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1agq s ARG 104 N 3.52 0.83 0.25 0.00 1.81 -0.41 -4.57 118.95 120.37 1agq s ARG 104 Ca 0.45 -1.29 -0.30 0.00 -1.72 0.00 0.00 55.73 52.88 1agq s ARG 104 Cb -0.13 0.25 -0.09 0.00 -0.45 0.00 0.00 34.95 34.53 1agq s ARG 104 CO 0.13 -0.22 1.24 -1.25 -0.68 0.00 0.00 175.30 174.51 1agq s PRO 105 N -3.98 4.46 0.00 3.54 0.04 -1.26 -0.88 135.00 136.92 1agq s PRO 105 Ca 0.15 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1agq s PRO 105 Cb 0.07 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.46 1agq s PRO 105 CO -0.04 -0.10 0.64 1.33 0.04 0.00 0.00 177.00 178.88 1agq n VAL 106 N 1.79 0.19 -3.55 -0.36 0.24 -0.03 -4.85 118.33 111.76 1agq n VAL 106 Ca 0.02 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.34 61.57 1agq n VAL 106 Cb 0.43 0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 1agq n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1agq s ALA 107 N -0.30 -1.82 0.30 2.33 0.00 -1.21 -4.94 121.76 116.12 1agq s ALA 107 Ca 0.02 1.48 0.11 0.00 0.00 0.00 0.00 51.96 53.57 1agq s ALA 107 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1agq s ALA 107 CO 0.02 -0.35 -0.16 -0.06 0.00 0.00 0.00 175.76 175.21 1agq s PHE 108 N -0.95 2.34 0.84 0.00 0.08 -1.26 -0.75 117.98 118.28 1agq s PHE 108 Ca -0.07 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 1agq s PHE 108 Cb -0.01 -1.11 0.09 0.00 -0.57 0.00 0.00 43.02 41.42 1agq s PHE 108 CO 0.07 0.68 1.11 -0.51 -0.10 0.00 0.00 175.22 176.46 1agq s ASP 109 N -3.55 4.14 0.85 1.36 1.01 0.94 -4.53 116.67 116.89 1agq s ASP 109 Ca 0.31 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 54.66 1agq s ASP 109 Cb -0.03 -1.88 0.10 0.00 1.01 0.00 0.00 42.92 42.12 1agq s ASP 109 CO 0.16 -2.18 1.10 -1.81 0.21 0.00 0.00 175.17 172.65 1agq s ASP 110 N -3.93 3.74 0.69 0.27 1.01 -1.26 -4.52 116.67 112.67 1agq s ASP 110 Ca 0.62 1.79 -0.17 0.00 0.71 0.00 0.00 52.55 55.50 1agq s ASP 110 Cb -0.15 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1agq s ASP 110 CO 0.54 -2.52 1.23 0.47 0.21 0.00 0.00 175.17 175.10 1agq n ASP 111 N -3.83 1.63 -4.04 0.27 8.00 -1.26 -4.86 116.55 112.46 1agq n ASP 111 Ca 0.09 0.76 -0.31 0.00 0.71 0.00 0.00 54.79 56.04 1agq n ASP 111 Cb 0.53 -1.52 -0.16 0.00 -0.02 0.00 0.00 41.12 39.95 1agq n ASP 111 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1agq s LEU 112 N -4.38 2.03 0.05 0.64 2.96 -0.26 -4.96 118.68 114.76 1agq s LEU 112 Ca 0.80 -0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1agq s LEU 112 Cb -0.36 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1agq s LEU 112 CO 0.44 -0.07 0.28 -0.94 -1.32 0.00 0.00 176.35 174.74 1agq s SER 113 N 1.40 6.47 0.00 3.68 1.04 -1.26 -0.38 113.70 124.64 1agq s SER 113 Ca 0.03 0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.85 1agq s SER 113 Cb -0.14 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 63.93 1agq s SER 113 CO -0.10 0.19 0.25 0.72 0.98 0.00 0.00 173.24 175.27 1agq s PHE 114 N -1.43 -0.08 -0.10 5.02 -0.71 0.36 -4.99 117.98 116.04 1agq s PHE 114 Ca 0.32 0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.19 1agq s PHE 114 Cb -0.13 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 1agq s PHE 114 CO 0.20 -0.37 0.20 -0.51 -1.34 0.00 0.00 175.22 173.40 1agq s LEU 115 N -1.49 4.39 0.00 -1.99 1.43 -1.26 -1.36 118.68 118.40 1agq s LEU 115 Ca -0.12 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1agq s LEU 115 Cb -0.05 -2.19 0.14 0.00 0.03 0.00 0.00 46.19 44.11 1agq s LEU 115 CO 0.02 0.36 0.97 -0.67 0.23 0.00 0.00 176.35 177.26 1agq n ASP 116 N 2.16 1.50 -1.76 2.29 2.03 -1.23 -4.68 116.55 116.86 1agq n ASP 116 Ca -0.18 -2.22 -0.13 0.00 0.52 0.00 0.00 54.79 52.78 1agq n ASP 116 Cb 0.54 -0.61 0.04 0.00 -0.72 0.00 0.00 41.12 40.37 1agq n ASP 116 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1agq n ASP 117 N -2.80 5.69 -0.93 1.67 8.00 -0.98 -4.82 116.55 122.38 1agq n ASP 117 Ca 0.17 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.78 1agq n ASP 117 Cb 0.60 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1agq n ASP 117 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1agq n SER 118 N 0.41 0.00 -0.72 -2.24 3.41 -1.26 -5.04 113.62 108.18 1agq n SER 118 Ca 0.25 -0.93 0.05 0.00 -0.26 0.00 0.00 58.87 57.98 1agq n SER 118 Cb 0.64 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.74 1agq n SER 118 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1agq n LEU 119 N 0.00 2.05 -4.58 1.04 7.99 -1.26 -4.87 117.00 117.38 1agq n LEU 119 Ca 0.00 -1.03 -0.34 0.00 -0.01 0.00 0.00 56.01 54.63 1agq n LEU 119 Cb 0.00 -0.30 -0.11 0.00 -0.11 0.00 0.00 43.42 42.89 1agq n LEU 119 CO 0.00 0.43 -0.35 -0.69 -1.51 0.00 0.00 177.39 175.26 1agq s VAL 120 N -1.62 3.90 -0.11 4.08 1.01 -1.26 -5.10 120.40 121.31 1agq s VAL 120 Ca 0.22 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1agq s VAL 120 Cb 0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1agq s VAL 120 CO 0.13 0.56 0.18 -0.47 0.00 0.00 0.00 175.10 175.50 1agq s TYR 121 N -0.42 3.61 0.08 5.22 5.04 -1.26 -3.57 117.35 126.04 1agq s TYR 121 Ca 0.07 0.59 0.08 0.00 -2.44 0.00 0.00 57.07 55.37 1agq s TYR 121 Cb -0.12 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1agq s TYR 121 CO 0.02 0.70 -0.22 -1.01 -1.34 0.00 0.00 175.55 173.70 1agq s HIS 122 N -0.95 1.91 -0.05 4.97 3.76 -0.47 -4.99 115.29 119.46 1agq s HIS 122 Ca 0.16 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1agq s HIS 122 Cb -0.13 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.48 1agq s HIS 122 CO 0.05 0.17 -0.13 0.42 -0.85 0.00 0.00 174.74 174.40 1agq s ILE 123 N -0.97 1.16 -0.21 0.60 1.01 -1.26 -0.49 121.20 121.04 1agq s ILE 123 Ca 0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1agq s ILE 123 Cb -0.10 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 1agq s ILE 123 CO 0.03 0.35 0.11 -0.76 0.00 0.00 0.00 174.94 174.67 1agq s LEU 124 N 0.45 3.99 0.01 2.97 1.43 0.49 -4.95 118.68 123.07 1agq s LEU 124 Ca -0.11 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1agq s LEU 124 Cb -0.14 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1agq s LEU 124 CO 0.03 0.13 -0.21 -0.60 0.23 0.00 0.00 176.35 175.93 1agq s ARG 125 N 0.63 1.60 -1.47 1.70 3.52 -1.26 -1.11 118.95 122.56 1agq s ARG 125 Ca 0.06 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1agq s ARG 125 Cb -0.12 -1.62 0.01 0.00 -1.56 0.00 0.00 34.95 31.66 1agq s ARG 125 CO 0.01 0.43 0.31 1.63 -0.81 0.00 0.00 175.30 176.87 1agq n LYS 126 N 2.25 -2.53 -0.00 5.12 5.02 -1.26 -4.86 118.16 121.90 1agq n LYS 126 Ca -0.16 0.30 0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1agq n LYS 126 Cb 0.53 -4.27 -0.08 0.00 -0.02 0.00 0.00 35.03 31.20 1agq n LYS 126 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1agq n HIS 127 N -4.45 0.00 -3.80 2.13 1.44 -1.26 -4.99 115.22 104.29 1agq n HIS 127 Ca -0.29 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.29 1agq n HIS 127 Cb 0.68 -0.03 -0.14 0.00 0.12 0.00 0.00 29.99 30.62 1agq n HIS 127 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1agq s SER 128 N -2.33 -0.09 0.38 4.39 0.15 -1.26 -4.85 113.70 110.08 1agq s SER 128 Ca 0.04 0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 1agq s SER 128 Cb 0.10 0.18 -0.09 0.00 -1.71 0.00 0.00 66.02 64.50 1agq s SER 128 CO 0.53 -0.08 1.05 0.00 1.20 0.00 0.00 173.24 175.94 1agq s ALA 129 N 0.50 3.14 -0.04 5.45 0.00 -0.11 -0.04 121.76 130.66 1agq s ALA 129 Ca -0.04 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1agq s ALA 129 Cb -0.05 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1agq s ALA 129 CO -0.02 -0.17 0.05 1.17 0.00 0.00 0.00 175.76 176.79 1agq n LYS 130 N 0.16 2.18 -3.77 0.00 4.81 0.07 -4.47 118.16 117.13 1agq n LYS 130 Ca 0.04 -0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1agq n LYS 130 Cb 0.49 -1.14 -0.10 0.00 0.02 0.00 0.00 35.03 34.31 1agq n LYS 130 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1agq s ARG 131 N -2.22 0.51 0.30 1.64 3.52 -1.15 -4.97 118.95 116.59 1agq s ARG 131 Ca -0.02 0.07 0.10 0.00 -0.13 0.00 0.00 55.73 55.75 1agq s ARG 131 Cb 0.02 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.60 1agq s ARG 131 CO 0.23 -0.11 -0.09 0.00 -0.81 0.00 0.00 175.30 174.51 1agq s GLY 133 N -3.61 -0.45 -0.37 0.00 0.00 -0.05 -4.77 107.32 98.06 1agq s GLY 133 Ca 0.32 1.60 -0.23 0.00 0.00 0.00 0.00 44.72 46.40 1agq s GLY 133 CO 0.17 0.98 0.79 0.00 0.00 0.00 0.00 173.10 175.04