#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 4.57 0.65 -0.05 0.00 -7.23 -0.19 -4.87 120.40 113.27 1agq s VAL 43 Ca 0.53 -1.81 -0.16 0.00 -1.81 0.00 0.00 61.98 58.72 1agq s VAL 43 Cb -0.11 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 1agq s VAL 43 CO 0.28 -0.82 0.44 -0.22 -0.31 0.00 0.00 175.10 174.47 1agq s LEU 44 N -2.84 4.39 0.08 1.32 2.96 -1.26 -1.84 118.68 121.49 1agq s LEU 44 Ca 0.09 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1agq s LEU 44 Cb 0.03 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1agq s LEU 44 CO -0.04 0.19 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.25 1agq s THR 45 N -0.38 0.44 0.09 3.68 2.01 -0.73 -4.99 115.64 115.75 1agq s THR 45 Ca 0.24 -1.88 0.02 0.00 0.31 0.00 0.00 61.69 60.38 1agq s THR 45 Cb -0.16 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1agq s THR 45 CO 0.12 -0.89 -0.07 0.00 -0.69 0.00 0.00 174.62 173.10 1agq s ALA 46 N -3.79 0.89 -0.07 7.40 0.00 -1.26 -1.26 121.76 123.66 1agq s ALA 46 Ca 0.11 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 1agq s ALA 46 Cb 0.07 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1agq s ALA 46 CO -0.06 -0.20 0.18 -1.50 0.00 0.00 0.00 175.76 174.18 1agq s ILE 47 N -3.22 -0.00 -0.03 0.00 2.07 0.04 -4.98 121.20 115.08 1agq s ILE 47 Ca 0.08 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.06 1agq s ILE 47 Cb 0.03 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.32 1agq s ILE 47 CO -0.04 0.01 0.87 -1.00 -1.91 0.00 0.00 174.94 172.87 1agq s HIS 48 N 0.20 3.63 0.12 3.50 3.76 -1.26 -0.51 115.29 124.73 1agq s HIS 48 Ca -0.01 1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 56.42 1agq s HIS 48 Cb -0.02 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1agq s HIS 48 CO -0.00 0.03 0.04 -0.51 -0.85 0.00 0.00 174.74 173.45 1agq s LEU 49 N 0.92 1.87 0.08 0.89 1.43 -0.34 -4.96 118.68 118.57 1agq s LEU 49 Ca 0.46 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1agq s LEU 49 Cb -0.20 0.28 -0.06 0.00 0.03 0.00 0.00 46.19 46.25 1agq s LEU 49 CO 0.24 -0.71 0.37 0.20 0.23 0.00 0.00 176.35 176.68 1agq s ASN 50 N -3.03 6.59 0.45 2.29 0.02 -1.26 -1.02 114.94 118.97 1agq s ASN 50 Ca 0.22 0.71 0.17 0.00 -1.02 0.00 0.00 52.86 52.94 1agq s ASN 50 Cb 0.08 -2.15 1.10 0.00 0.02 0.00 0.00 41.25 40.30 1agq s ASN 50 CO 0.00 0.16 1.95 0.58 0.02 0.00 0.00 177.10 179.82 1agq h VAL 51 N 2.74 0.82 -0.22 1.60 2.07 -1.20 0.32 116.25 122.38 1agq h VAL 51 Ca -0.49 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1agq h VAL 51 Cb 1.19 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1agq h VAL 51 CO 0.68 0.06 -0.00 0.71 0.02 0.00 0.00 177.57 179.03 1agq h THR 52 N 0.35 1.14 0.00 2.57 1.35 -1.80 -2.33 112.91 114.20 1agq h THR 52 Ca 0.32 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1agq h THR 52 Cb 0.77 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1agq h THR 52 CO -0.08 0.19 0.00 0.44 -0.25 0.00 0.00 175.52 175.81 1agq h ASP 53 N 0.32 0.00 1.05 5.36 3.32 -0.75 -2.48 116.42 123.25 1agq h ASP 53 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1agq h ASP 53 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1agq h ASP 53 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 1agq n LEU 54 N -2.99 0.73 -1.42 1.55 4.77 -0.87 -4.92 117.00 113.84 1agq n LEU 54 Ca -0.03 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1agq n LEU 54 Cb 0.07 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1agq n LEU 54 CO 0.19 -0.40 -0.16 0.61 -1.33 0.00 0.00 177.39 176.30 1agq n GLY 55 N 0.57 -0.14 1.15 -0.72 0.00 -0.93 -4.93 105.19 100.18 1agq n GLY 55 Ca 0.04 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.79 3.42 0.00 0.99 4.77 -1.26 -4.96 117.00 118.16 1agq n LEU 56 Ca -0.15 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1agq n LEU 56 Cb 0.61 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1agq n LEU 56 CO 0.17 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1agq n GLY 57 N 1.51 0.46 3.81 -0.72 0.00 -1.26 -5.04 105.19 103.95 1agq n GLY 57 Ca 0.20 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 3.70 -0.45 1.61 2.02 -1.26 -5.03 117.35 115.94 1agq s TYR 58 Ca 0.00 1.35 -0.07 0.00 -0.37 0.00 0.00 57.07 57.98 1agq s TYR 58 Cb 0.00 -2.58 0.11 0.00 -0.40 0.00 0.00 41.96 39.09 1agq s TYR 58 CO 0.00 0.41 0.30 -1.21 -1.57 0.00 0.00 175.55 173.48 1agq s GLU 59 N -1.74 2.33 0.18 -0.62 2.02 -1.26 -4.66 118.70 114.95 1agq s GLU 59 Ca 0.39 -1.77 -0.23 0.00 0.02 0.00 0.00 54.97 53.38 1agq s GLU 59 Cb -0.18 -3.81 0.06 0.00 0.10 0.00 0.00 34.13 30.31 1agq s GLU 59 CO 0.21 -1.14 0.63 -0.08 0.02 0.00 0.00 175.26 174.90 1agq s THR 60 N 1.29 0.00 -0.80 3.63 -1.32 -1.26 -0.45 115.64 116.73 1agq s THR 60 Ca 0.06 -0.21 0.19 0.00 -1.21 0.00 0.00 61.69 60.52 1agq s THR 60 Cb -0.25 -1.21 -0.22 0.00 -1.51 0.00 0.00 72.50 69.30 1agq s THR 60 CO -0.02 0.00 0.78 0.29 -2.21 0.00 0.00 174.62 173.46 1agq n LYS 61 N -0.39 0.59 -1.68 7.08 5.02 -1.26 -4.54 118.16 122.97 1agq n LYS 61 Ca -0.14 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.75 1agq n LYS 61 Cb 0.64 -1.42 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 1agq n LYS 61 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1agq n GLU 62 N -1.55 1.24 -4.63 1.97 2.13 -1.26 -4.79 120.64 113.75 1agq n GLU 62 Ca 0.03 0.47 -0.31 0.00 0.66 0.00 0.00 57.16 58.01 1agq n GLU 62 Cb 0.33 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.57 1agq n GLU 62 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1agq s GLU 63 N -2.90 2.12 0.26 5.31 2.02 -1.26 -0.66 118.70 123.59 1agq s GLU 63 Ca 0.75 -2.26 -0.22 0.00 0.02 0.00 0.00 54.97 53.27 1agq s GLU 63 Cb -0.42 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.22 1agq s GLU 63 CO 0.47 -0.26 0.76 -0.48 0.02 0.00 0.00 175.26 175.77 1agq s LEU 64 N -3.85 -0.25 -0.23 1.80 -0.00 -0.19 -4.79 118.68 111.18 1agq s LEU 64 Ca 0.19 -0.56 -0.03 0.00 -0.00 0.00 0.00 54.13 53.72 1agq s LEU 64 Cb 0.04 2.63 0.00 0.00 -0.00 0.00 0.00 46.19 48.86 1agq s LEU 64 CO 0.10 -1.26 -0.06 -0.63 -0.00 0.00 0.00 176.35 174.50 1agq s ILE 65 N -3.80 3.14 -0.19 1.48 1.01 -1.26 -1.20 121.20 120.38 1agq s ILE 65 Ca 0.11 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1agq s ILE 65 Cb -0.05 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1agq s ILE 65 CO 0.06 0.37 0.24 0.12 0.00 0.00 0.00 174.94 175.72 1agq s PHE 66 N 1.42 3.42 -0.03 3.97 5.36 0.33 -4.91 117.98 127.54 1agq s PHE 66 Ca 0.04 0.47 0.05 0.00 -0.96 0.00 0.00 56.93 56.53 1agq s PHE 66 Cb -0.15 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.21 1agq s PHE 66 CO -0.04 0.20 -0.19 1.03 -1.46 0.00 0.00 175.22 174.76 1agq s ARG 67 N 0.60 2.32 0.16 10.12 0.52 -1.26 -0.78 118.95 130.63 1agq s ARG 67 Ca 0.13 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1agq s ARG 67 Cb -0.13 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 1agq s ARG 67 CO 0.03 0.59 0.12 1.52 0.02 0.00 0.00 175.30 177.58 1agq s TYR 68 N -0.71 0.83 -0.16 -0.53 1.13 -0.39 -1.23 117.35 116.30 1agq s TYR 68 Ca 0.11 -1.17 -0.05 0.00 -1.41 0.00 0.00 57.07 54.55 1agq s TYR 68 Cb -0.10 -0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 40.32 1agq s TYR 68 CO 0.00 -0.60 0.00 0.00 -2.51 0.00 0.00 175.55 172.45 1agq s SER 70 N 0.19 -0.35 0.00 0.00 1.04 -0.77 -4.77 113.70 109.04 1agq s SER 70 Ca 0.01 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1agq s SER 70 Cb -0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1agq s SER 70 CO 0.02 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1agq n GLY 71 N 0.67 2.23 3.92 7.32 0.00 -1.26 -1.02 105.19 117.05 1agq n GLY 71 Ca -0.19 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 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 5.84 -0.53 1.61 1.04 -1.25 -4.49 113.70 115.93 1agq s SER 72 Ca 0.00 0.65 0.06 0.00 0.48 0.00 0.00 55.95 57.14 1agq s SER 72 Cb 0.00 -1.81 0.21 0.00 0.10 0.00 0.00 66.02 64.52 1agq s SER 72 CO 0.00 -0.82 0.51 0.00 0.98 0.00 0.00 173.24 173.90 1agq n GLU 74 N 1.87 0.04 -3.14 0.00 1.02 -1.26 -4.75 120.64 114.42 1agq n GLU 74 Ca 0.25 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 57.02 1agq n GLU 74 Cb 0.45 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1agq n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1agq s ALA 75 N -3.02 3.45 -0.34 0.62 0.00 -1.26 -5.03 121.76 116.18 1agq s ALA 75 Ca 0.12 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 1agq s ALA 75 Cb 0.18 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.40 1agq s ALA 75 CO 0.62 -0.25 0.54 0.00 0.00 0.00 0.00 175.76 176.66 1agq s ALA 76 N 1.19 3.48 -0.44 0.00 0.00 -1.26 -4.93 121.76 119.81 1agq s ALA 76 Ca 0.31 -0.94 0.23 0.00 0.00 0.00 0.00 51.96 51.56 1agq s ALA 76 Cb -0.16 -3.04 0.22 0.00 0.00 0.00 0.00 23.12 20.14 1agq s ALA 76 CO 0.13 -1.20 1.28 1.49 0.00 0.00 0.00 175.76 177.46 1agq h GLU 77 N 8.42 0.00 -5.32 0.00 4.81 -1.96 -3.45 114.58 117.08 1agq h GLU 77 Ca -0.28 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.48 1agq h GLU 77 Cb 1.12 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 1agq h GLU 77 CO 0.78 0.00 -0.64 0.95 -0.73 0.00 0.00 179.01 179.37 1agq s THR 78 N -3.26 1.35 0.25 0.32 -4.23 -1.26 -5.03 115.64 103.79 1agq s THR 78 Ca 0.04 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1agq s THR 78 Cb 0.10 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1agq s THR 78 CO 0.74 -0.16 1.72 -0.03 -0.54 0.00 0.00 174.62 176.34 1agq h MET 79 N 2.22 0.76 -0.36 3.99 4.05 -1.99 -1.88 114.93 121.73 1agq h MET 79 Ca -0.40 -0.24 0.08 0.00 -0.28 0.00 0.00 59.70 58.85 1agq h MET 79 Cb 1.24 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.89 1agq h MET 79 CO 0.68 0.83 -0.16 -0.92 0.23 0.00 0.00 176.91 177.58 1agq h TYR 80 N 0.70 -0.38 -0.54 1.39 3.20 -1.99 0.15 116.97 119.50 1agq h TYR 80 Ca 0.12 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1agq h TYR 80 Cb 0.55 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1agq h TYR 80 CO 0.03 -0.23 0.08 -0.44 -1.64 0.00 0.00 178.16 175.96 1agq h ASP 81 N -0.09 0.82 -0.55 -2.11 3.32 -1.86 -0.68 116.42 115.26 1agq h ASP 81 Ca 0.18 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1agq h ASP 81 Cb 0.37 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1agq h ASP 81 CO -0.42 0.83 0.21 0.11 -1.72 0.00 0.00 179.24 178.26 1agq h LYS 82 N 0.82 0.82 -0.31 3.56 1.79 -0.47 -1.92 116.57 120.87 1agq h LYS 82 Ca 0.17 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1agq h LYS 82 Cb 0.37 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1agq h LYS 82 CO 0.01 0.72 0.13 0.82 -1.08 0.00 0.00 179.45 180.05 1agq h ILE 83 N 0.75 1.17 -0.93 1.86 2.04 -0.39 -0.79 117.51 121.21 1agq h ILE 83 Ca 0.18 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1agq h ILE 83 Cb 0.21 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1agq h ILE 83 CO -0.01 0.18 0.61 -0.07 0.00 0.00 0.00 178.15 178.85 1agq h LEU 84 N 0.35 1.01 -0.59 1.44 3.38 -1.00 0.23 115.31 120.13 1agq h LEU 84 Ca 0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1agq h LEU 84 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1agq h LEU 84 CO -0.01 0.69 0.02 0.07 0.09 0.00 0.00 178.44 179.30 1agq h LYS 85 N 1.18 1.03 -0.19 1.13 2.10 -1.11 0.88 116.57 121.58 1agq h LYS 85 Ca 0.37 -0.32 -0.05 0.00 -2.00 0.00 0.00 60.65 58.65 1agq h LYS 85 Cb 0.00 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1agq h LYS 85 CO -0.12 1.01 -0.09 -0.91 -2.00 0.00 0.00 179.45 177.34 1agq h ASN 86 N 0.93 0.41 -0.89 7.07 2.35 -0.30 -0.50 115.58 124.66 1agq h ASN 86 Ca 0.17 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1agq h ASN 86 Cb 0.53 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1agq h ASN 86 CO 0.03 0.73 0.52 -0.07 -1.65 0.00 0.00 177.43 176.99 1agq h LEU 87 N 0.09 1.08 -0.33 1.61 3.38 -0.52 -0.41 115.31 120.21 1agq h LEU 87 Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1agq h LEU 87 Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1agq h LEU 87 CO 0.03 0.84 -0.04 -1.28 0.09 0.00 0.00 178.44 178.08 1agq h SER 88 N 1.23 0.60 -0.05 -0.43 0.87 -0.73 -1.03 113.55 114.02 1agq h SER 88 Ca 0.32 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1agq h SER 88 Cb -0.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1agq h SER 88 CO -0.06 0.80 -0.17 -0.09 -0.53 0.00 0.00 176.83 176.78 1agq h ARG 89 N 0.40 0.40 -0.01 2.24 9.65 -0.72 -2.56 114.38 123.78 1agq h ARG 89 Ca 0.09 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1agq h ARG 89 Cb 0.51 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1agq h ARG 89 CO 0.02 0.57 -0.04 -1.13 2.80 0.00 0.00 179.97 182.20 1agq n SER 90 N -4.19 0.96 -1.45 -3.80 3.41 -0.20 -4.92 113.62 103.44 1agq n SER 90 Ca -0.00 -1.21 -0.16 0.00 -0.26 0.00 0.00 58.87 57.24 1agq n SER 90 Cb 0.34 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.33 -1.17 0.22 4.33 3.00 -0.83 -4.86 116.66 117.03 1agq n ARG 91 Ca 0.19 0.95 0.13 0.00 -0.00 0.00 0.00 57.85 59.12 1agq n ARG 91 Cb 0.29 -5.21 0.26 0.00 0.00 0.00 0.00 32.46 27.79 1agq n ARG 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1agq h ARG 92 N 0.00 0.00 -5.02 -0.14 3.08 -1.48 -3.41 114.38 107.41 1agq h ARG 92 Ca -0.35 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.10 1agq h ARG 92 Cb 1.13 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.85 1agq h ARG 92 CO 0.47 0.00 -0.85 -0.51 -1.07 0.00 0.00 179.97 178.01 1agq s LEU 93 N -6.10 1.88 -0.12 3.04 1.43 -1.12 -5.03 118.68 112.66 1agq s LEU 93 Ca 0.06 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1agq s LEU 93 Cb 0.06 -1.12 -0.26 0.00 0.03 0.00 0.00 46.19 44.90 1agq s LEU 93 CO 0.65 0.11 0.43 0.71 0.23 0.00 0.00 176.35 178.47 1agq h THR 94 N 5.76 0.77 -0.99 5.49 1.35 -1.90 -3.41 112.91 119.98 1agq h THR 94 Ca -0.26 -2.36 -0.76 0.00 -0.55 0.00 0.00 66.41 62.48 1agq h THR 94 Cb 1.21 2.54 0.06 0.00 -1.73 0.00 0.00 68.15 70.23 1agq h THR 94 CO 0.47 0.80 -0.05 -0.24 -0.25 0.00 0.00 175.52 176.25 1agq n SER 95 N -3.68 -0.23 0.00 5.36 2.88 -1.26 -4.78 113.62 111.90 1agq n SER 95 Ca -0.30 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1agq n SER 95 Cb 0.99 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1agq n SER 95 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1agq n ASP 96 N 1.58 0.00 -3.16 -3.46 8.00 -1.26 -2.84 116.55 115.41 1agq n ASP 96 Ca 0.19 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.45 1agq n ASP 96 Cb 0.11 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 1agq n ASP 96 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1agq n LYS 97 N -0.13 2.05 -1.50 -1.24 5.02 -1.26 -5.02 118.16 116.08 1agq n LYS 97 Ca 0.00 -4.15 -0.60 0.00 -2.02 0.00 0.00 58.31 51.54 1agq n LYS 97 Cb 0.00 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 32.99 1agq n LYS 97 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1agq n VAL 98 N 0.42 0.10 -1.51 -0.18 0.31 -1.13 -2.60 118.33 113.75 1agq n VAL 98 Ca 0.27 -0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1agq n VAL 98 Cb 0.49 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.50 1agq n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1agq n GLY 99 N 5.82 1.12 3.72 2.92 0.00 -1.26 -4.98 105.19 112.53 1agq n GLY 99 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1agq n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1agq s GLN 100 N -3.36 1.34 0.49 1.61 -1.52 -1.07 -4.97 119.66 112.18 1agq s GLN 100 Ca 0.00 0.86 -0.24 0.00 -1.95 0.00 0.00 55.36 54.03 1agq s GLN 100 Cb 0.00 -1.81 -0.07 0.00 -0.22 0.00 0.00 33.01 30.91 1agq s GLN 100 CO 0.00 -2.20 1.42 0.00 -0.25 0.00 0.00 175.29 174.26 1agq n ALA 101 N -3.86 1.91 -2.39 6.09 0.00 -1.26 -5.03 120.51 115.96 1agq n ALA 101 Ca 0.07 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1agq n ALA 101 Cb 0.55 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.48 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 4.20 0.94 0.20 0.00 1.81 -0.17 -4.60 118.95 121.32 1agq s ARG 104 Ca 0.47 -1.44 -0.30 0.00 -1.72 0.00 0.00 55.73 52.75 1agq s ARG 104 Cb -0.09 0.10 -0.08 0.00 -0.45 0.00 0.00 34.95 34.43 1agq s ARG 104 CO 0.27 -0.21 1.21 -2.14 -0.68 0.00 0.00 175.30 173.75 1agq s PRO 105 N -4.00 4.48 0.00 3.54 0.02 -1.26 -0.60 135.00 137.18 1agq s PRO 105 Ca 0.22 1.92 0.08 0.00 0.02 0.00 0.00 61.00 63.24 1agq s PRO 105 Cb 0.07 -3.22 0.04 0.00 0.02 0.00 0.00 34.50 31.41 1agq s PRO 105 CO 0.01 -0.10 0.69 1.33 -0.33 0.00 0.00 177.00 178.60 1agq n VAL 106 N 2.36 0.00 -3.57 3.83 0.24 0.47 -4.85 118.33 116.82 1agq n VAL 106 Ca 0.04 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.34 61.70 1agq n VAL 106 Cb 0.44 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.87 -1.53 0.15 2.33 0.00 -1.18 -4.94 121.76 115.73 1agq s ALA 107 Ca 0.09 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.18 1agq s ALA 107 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1agq s ALA 107 CO 0.14 -0.37 -0.16 -0.06 0.00 0.00 0.00 175.76 175.31 1agq s PHE 108 N -1.38 2.54 1.16 0.00 0.08 -1.26 -0.55 117.98 118.56 1agq s PHE 108 Ca -0.11 -0.26 -0.16 0.00 0.12 0.00 0.00 56.93 56.52 1agq s PHE 108 Cb -0.01 -1.29 0.27 0.00 -0.57 0.00 0.00 43.02 41.42 1agq s PHE 108 CO 0.07 0.46 1.07 -0.51 -0.10 0.00 0.00 175.22 176.21 1agq s ASP 109 N -2.50 1.18 0.62 1.36 1.01 0.13 -4.54 116.67 113.93 1agq s ASP 109 Ca 0.21 0.97 -0.18 0.00 0.71 0.00 0.00 52.55 54.27 1agq s ASP 109 Cb -0.09 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.35 1agq s ASP 109 CO 0.12 -4.00 1.20 -1.81 0.21 0.00 0.00 175.17 170.89 1agq s ASP 110 N -3.43 5.02 0.40 0.27 1.01 -1.26 -4.74 116.67 113.93 1agq s ASP 110 Ca 0.68 2.34 -0.27 0.00 0.71 0.00 0.00 52.55 56.02 1agq s ASP 110 Cb -0.16 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.08 1agq s ASP 110 CO 0.58 -1.71 1.45 -1.81 0.21 0.00 0.00 175.17 173.90 1agq s ASP 111 N -1.76 6.22 -0.05 0.27 1.01 -1.26 -4.90 116.67 116.19 1agq s ASP 111 Ca 0.76 2.98 -0.20 0.00 0.71 0.00 0.00 52.55 56.79 1agq s ASP 111 Cb -0.29 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 40.93 1agq s ASP 111 CO 0.36 -0.95 0.59 -0.22 0.21 0.00 0.00 175.17 175.16 1agq s LEU 112 N -2.28 4.36 0.10 1.23 2.96 -0.36 -4.90 118.68 119.78 1agq s LEU 112 Ca 0.55 1.07 0.08 0.00 -0.22 0.00 0.00 54.13 55.61 1agq s LEU 112 Cb -0.45 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1agq s LEU 112 CO 0.60 0.03 -0.20 -0.94 -1.32 0.00 0.00 176.35 174.51 1agq s SER 113 N 0.25 2.45 0.17 3.68 1.04 -1.26 0.25 113.70 120.28 1agq s SER 113 Ca 0.31 -0.68 -0.23 0.00 0.48 0.00 0.00 55.95 55.82 1agq s SER 113 Cb -0.17 -0.13 0.06 0.00 0.10 0.00 0.00 66.02 65.88 1agq s SER 113 CO 0.15 0.04 0.71 0.72 0.98 0.00 0.00 173.24 175.85 1agq s PHE 114 N -1.19 -0.37 -0.13 5.02 -0.12 -0.65 -5.01 117.98 115.53 1agq s PHE 114 Ca 0.06 0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 57.00 1agq s PHE 114 Cb -0.10 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1agq s PHE 114 CO 0.04 -0.91 -0.04 -0.51 -0.05 0.00 0.00 175.22 173.75 1agq s LEU 115 N -2.78 3.29 0.00 -1.99 1.43 -1.26 -1.29 118.68 116.08 1agq s LEU 115 Ca 0.05 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1agq s LEU 115 Cb -0.02 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.49 1agq s LEU 115 CO -0.05 0.23 0.42 -0.90 0.23 0.00 0.00 176.35 176.28 1agq n ASP 116 N 3.13 0.31 0.27 2.29 5.68 -0.26 -4.83 116.55 123.13 1agq n ASP 116 Ca -0.18 -1.32 0.16 0.00 -0.50 0.00 0.00 54.79 52.96 1agq n ASP 116 Cb 0.53 -0.30 0.62 0.00 -1.14 0.00 0.00 41.12 40.83 1agq n ASP 116 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1agq h ASP 117 N -0.40 0.00 -0.39 -1.12 3.32 -1.09 -1.75 116.42 114.99 1agq h ASP 117 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1agq h ASP 117 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1agq h ASP 117 CO 0.12 0.01 0.00 -1.20 -1.72 0.00 0.00 179.24 176.46 1agq n SER 118 N -3.11 2.37 -3.05 6.45 7.64 -1.26 -4.90 113.62 117.75 1agq n SER 118 Ca 0.01 -2.08 -0.21 0.00 1.01 0.00 0.00 58.87 57.59 1agq n SER 118 Cb 0.34 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1agq n SER 118 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1agq n LEU 119 N 0.62 -2.92 -4.55 -3.43 7.99 -0.66 -5.01 117.00 109.04 1agq n LEU 119 Ca 0.14 -0.37 -0.34 0.00 -0.01 0.00 0.00 56.01 55.43 1agq n LEU 119 Cb 0.41 -2.82 -0.11 0.00 -0.11 0.00 0.00 43.42 40.78 1agq n LEU 119 CO 0.10 0.39 -0.33 -0.69 -1.51 0.00 0.00 177.39 175.36 1agq s VAL 120 N -3.21 4.11 0.28 4.08 1.01 -1.26 -4.85 120.40 120.56 1agq s VAL 120 Ca 0.40 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1agq s VAL 120 Cb -0.18 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1agq s VAL 120 CO 0.49 0.50 0.94 -0.31 0.00 0.00 0.00 175.10 176.73 1agq s TYR 121 N 0.17 3.84 0.01 5.22 2.02 -1.26 -1.11 117.35 126.24 1agq s TYR 121 Ca -0.00 1.84 0.02 0.00 -0.37 0.00 0.00 57.07 58.56 1agq s TYR 121 Cb -0.13 -2.94 -0.01 0.00 -0.40 0.00 0.00 41.96 38.47 1agq s TYR 121 CO 0.02 0.33 -0.07 -1.01 -1.57 0.00 0.00 175.55 173.26 1agq s HIS 122 N -1.40 0.58 -0.14 2.71 3.76 -0.41 -4.97 115.29 115.41 1agq s HIS 122 Ca 0.46 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1agq s HIS 122 Cb -0.22 -0.36 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1agq s HIS 122 CO 0.28 -0.02 -0.15 0.42 -0.85 0.00 0.00 174.74 174.42 1agq s ILE 123 N -0.43 1.58 -0.32 0.60 1.01 -1.26 -1.63 121.20 120.74 1agq s ILE 123 Ca -0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1agq s ILE 123 Cb -0.04 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1agq s ILE 123 CO -0.00 0.46 0.44 -0.76 0.00 0.00 0.00 174.94 175.08 1agq s LEU 124 N 1.34 4.28 -0.06 2.97 1.43 0.14 -4.94 118.68 123.83 1agq s LEU 124 Ca 0.02 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1agq s LEU 124 Cb -0.13 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1agq s LEU 124 CO -0.08 -0.36 0.10 -0.13 0.23 0.00 0.00 176.35 176.11 1agq s ARG 125 N 2.21 3.25 -1.33 1.70 0.52 -1.26 -1.22 118.95 122.82 1agq s ARG 125 Ca 0.16 -0.31 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1agq s ARG 125 Cb -0.16 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1agq s ARG 125 CO 0.12 0.71 0.51 1.63 0.02 0.00 0.00 175.30 178.29 1agq n LYS 126 N 1.63 -2.41 0.00 3.54 5.02 -1.26 -4.89 118.16 119.79 1agq n LYS 126 Ca -0.16 0.37 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 1agq n LYS 126 Cb 0.54 -4.22 -0.08 0.00 -0.02 0.00 0.00 35.03 31.25 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 -4.41 0.00 -3.74 2.13 1.44 -1.26 -4.98 115.22 104.40 1agq n HIS 127 Ca -0.24 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.34 1agq n HIS 127 Cb 0.65 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.66 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 -2.57 -0.41 0.29 4.39 0.15 -1.26 -4.85 113.70 109.45 1agq s SER 128 Ca 0.09 0.76 -0.28 0.00 0.70 0.00 0.00 55.95 57.22 1agq s SER 128 Cb 0.14 0.78 -0.09 0.00 -1.71 0.00 0.00 66.02 65.14 1agq s SER 128 CO 0.68 -0.16 0.99 0.00 1.20 0.00 0.00 173.24 175.94 1agq s ALA 129 N 0.11 3.28 -0.13 5.45 0.00 -0.37 0.21 121.76 130.32 1agq s ALA 129 Ca -0.01 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1agq s ALA 129 Cb -0.03 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 1agq s ALA 129 CO 0.01 0.08 -0.04 1.17 0.00 0.00 0.00 175.76 176.98 1agq n LYS 130 N 0.95 1.34 -3.88 0.00 4.81 0.28 -4.41 118.16 117.25 1agq n LYS 130 Ca 0.00 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 1agq n LYS 130 Cb 0.48 -1.29 -0.12 0.00 0.02 0.00 0.00 35.03 34.12 1agq n LYS 130 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1agq s ARG 131 N -2.28 0.25 0.11 1.64 0.52 -1.14 -4.98 118.95 113.09 1agq s ARG 131 Ca -0.12 -0.17 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 1agq s ARG 131 Cb 0.04 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1agq s ARG 131 CO 0.40 -0.05 -0.17 0.00 0.02 0.00 0.00 175.30 175.50 1agq s GLY 133 N -2.12 -0.57 -0.33 0.00 0.00 0.23 -4.82 107.32 99.72 1agq s GLY 133 Ca 0.18 0.83 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 1agq s GLY 133 CO 0.10 0.49 0.90 0.00 0.00 0.00 0.00 173.10 174.59