#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwq n GLY -1 N 0.00 0.80 2.72 -0.02 0.00 -1.26 -5.07 105.19 102.37 2uwq n GLY -1 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2uwq n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwq s SER 0 N 1.00 3.80 0.60 1.61 1.04 -1.26 -5.08 113.70 115.41 2uwq s SER 0 Ca 0.00 -2.22 0.00 0.00 0.48 0.00 0.00 55.95 54.21 2uwq s SER 0 Cb 0.00 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2uwq s SER 0 CO 0.00 -0.33 0.00 0.23 0.98 0.00 0.00 173.24 174.12 2uwq n MET 1 N 4.08 -3.55 -3.72 4.02 2.00 -1.26 -4.84 117.12 113.84 2uwq n MET 1 Ca 0.05 2.84 -0.38 0.00 0.00 0.00 0.00 57.70 60.21 2uwq n MET 1 Cb 0.38 -3.83 -0.12 0.00 0.00 0.00 0.00 33.22 29.64 2uwq n MET 1 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2uwq s MET 2 N -4.73 3.27 0.66 0.03 1.00 -1.26 -5.09 119.30 113.19 2uwq s MET 2 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 55.69 54.79 2uwq s MET 2 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.41 2uwq s MET 2 CO 0.00 -0.39 1.15 -1.25 0.00 0.00 0.00 175.02 174.53 2uwq s PRO 3 N 1.56 2.68 0.00 2.03 0.04 -1.26 -5.05 135.00 135.00 2uwq s PRO 3 Ca 0.04 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2uwq s PRO 3 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2uwq s PRO 3 CO 0.04 -1.37 0.00 -1.33 0.04 0.00 0.00 177.00 174.37 2uwq n MET 4 N -2.32 0.00 -3.59 4.56 2.81 -1.26 -5.09 117.12 112.24 2uwq n MET 4 Ca 0.12 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.90 2uwq n MET 4 Cb 0.51 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.98 2uwq n MET 4 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2uwq s PHE 5 N -5.81 -0.29 -0.00 2.03 -0.12 -1.26 -2.26 117.98 110.26 2uwq s PHE 5 Ca 0.00 0.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.98 2uwq s PHE 5 Cb 0.00 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 2uwq s PHE 5 CO 0.00 -0.73 -0.24 -0.48 -0.05 0.00 0.00 175.22 173.73 2uwq s LEU 6 N -2.73 2.07 -0.42 -1.99 0.05 -0.72 -4.91 118.68 110.05 2uwq s LEU 6 Ca 0.02 -0.46 -0.17 0.00 0.05 0.00 0.00 54.13 53.57 2uwq s LEU 6 Cb 0.01 -1.20 0.02 0.00 -2.05 0.00 0.00 46.19 42.97 2uwq s LEU 6 CO -0.11 0.27 0.43 -0.89 -0.55 0.00 0.00 176.35 175.50 2uwq s THR 7 N -0.61 5.09 0.41 5.48 2.01 -1.26 -1.28 115.64 125.47 2uwq s THR 7 Ca 0.09 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 2uwq s THR 7 Cb -0.09 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2uwq s THR 7 CO -0.00 -0.41 0.69 -0.69 -0.69 0.00 0.00 174.62 173.52 2uwq s VAL 8 N 2.13 4.96 -0.15 3.82 1.01 0.12 -1.20 120.40 131.10 2uwq s VAL 8 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2uwq s VAL 8 Cb -0.17 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2uwq s VAL 8 CO 0.13 -0.65 -0.09 -0.31 0.00 0.00 0.00 175.10 174.18 2uwq s TYR 9 N -2.48 2.89 -0.03 5.22 4.12 0.34 0.21 117.35 127.62 2uwq s TYR 9 Ca 0.45 -0.57 -0.21 0.00 0.02 0.00 0.00 57.07 56.76 2uwq s TYR 9 Cb -0.10 -1.90 -0.05 0.00 -1.52 0.00 0.00 41.96 38.39 2uwq s TYR 9 CO 0.39 -0.19 0.62 -0.51 0.02 0.00 0.00 175.55 175.88 2uwq s LEU 10 N 0.46 4.38 0.00 -1.29 1.43 -0.50 -2.04 118.68 121.11 2uwq s LEU 10 Ca -0.07 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2uwq s LEU 10 Cb -0.15 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2uwq s LEU 10 CO 0.04 0.03 0.00 -0.24 0.23 0.00 0.00 176.35 176.41 2uwq n SER 11 N 3.07 -5.59 -3.04 2.29 2.88 -1.26 -3.69 113.62 108.28 2uwq n SER 11 Ca -0.05 0.09 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 2uwq n SER 11 Cb 0.51 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2uwq n SER 11 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2uwq n ASN 12 N -3.18 7.33 -4.84 -3.46 0.23 -1.26 -4.80 115.26 105.29 2uwq n ASN 12 Ca 0.00 -3.17 -0.31 0.00 -0.53 0.00 0.00 54.58 50.57 2uwq n ASN 12 Cb 0.04 -1.30 -0.04 0.00 -2.08 0.00 0.00 39.78 36.40 2uwq n ASN 12 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2uwq s ASN 13 N 0.36 4.37 0.00 0.53 -0.87 -1.24 -5.06 114.94 113.02 2uwq s ASN 13 Ca 0.56 -1.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.34 2uwq s ASN 13 Cb 0.27 0.59 0.00 0.00 -0.02 0.00 0.00 41.25 42.10 2uwq s ASN 13 CO -0.15 -1.02 0.44 -0.62 -2.57 0.00 0.00 177.10 173.17 2uwq n GLU 14 N -1.53 -0.17 0.00 -0.60 1.02 -1.26 -4.74 120.64 113.36 2uwq n GLU 14 Ca -0.13 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 2uwq n GLU 14 Cb 0.66 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2uwq n GLU 14 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2uwq n GLN 15 N -0.06 3.60 -3.63 3.49 7.27 -1.26 -5.00 117.38 121.79 2uwq n GLN 15 Ca 0.00 -0.04 -0.37 0.00 0.07 0.00 0.00 57.00 56.66 2uwq n GLN 15 Cb 0.13 -0.37 -0.11 0.00 2.41 0.00 0.00 30.24 32.30 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2uwq s HIS 16 N -0.53 3.23 0.07 3.69 2.46 -1.26 -5.05 115.29 117.91 2uwq s HIS 16 Ca 0.00 0.10 -0.05 0.00 0.47 0.00 0.00 55.06 55.58 2uwq s HIS 16 Cb 0.00 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 2uwq s HIS 16 CO 0.00 -0.11 0.10 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.56 0.31 -0.14 3.88 -0.71 -1.26 -1.42 117.98 120.20 2uwq s PHE 17 Ca 0.07 -0.79 -0.02 0.00 -1.04 0.00 0.00 56.93 55.15 2uwq s PHE 17 Cb -0.15 -0.20 0.04 0.00 -1.21 0.00 0.00 43.02 41.50 2uwq s PHE 17 CO 0.09 -0.47 0.01 -0.08 -1.34 0.00 0.00 175.22 173.42 2uwq s THR 18 N -3.87 0.53 0.23 -4.49 -1.32 0.56 -4.85 115.64 102.43 2uwq s THR 18 Ca 0.06 -0.27 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 2uwq s THR 18 Cb 0.06 -0.85 -0.06 0.00 -1.51 0.00 0.00 72.50 70.15 2uwq s THR 18 CO -0.11 0.04 0.49 -1.83 -2.21 0.00 0.00 174.62 171.01 2uwq s GLU 19 N 1.88 3.65 -0.20 7.08 1.03 -1.26 0.15 118.70 131.03 2uwq s GLU 19 Ca 0.02 -0.01 -0.12 0.00 0.03 0.00 0.00 54.97 54.89 2uwq s GLU 19 Cb -0.15 -2.72 0.06 0.00 -0.80 0.00 0.00 34.13 30.53 2uwq s GLU 19 CO -0.07 0.32 0.50 0.54 -1.33 0.00 0.00 175.26 175.22 2uwq s VAL 20 N -1.90 -0.01 -0.02 1.83 0.11 -0.41 -4.93 120.40 115.06 2uwq s VAL 20 Ca 0.43 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 59.29 2uwq s VAL 20 Cb -0.11 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2uwq s VAL 20 CO 0.27 0.02 0.75 -2.16 -3.33 0.00 0.00 175.10 170.65 2uwq s PRO 21 N 1.25 4.46 0.05 1.54 0.04 -1.26 -1.75 135.00 139.33 2uwq s PRO 21 Ca -0.08 0.99 0.01 0.00 0.04 0.00 0.00 61.00 61.96 2uwq s PRO 21 Cb -0.07 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2uwq s PRO 21 CO -0.12 0.13 -0.06 0.54 0.04 0.00 0.00 177.00 177.53 2uwq s VAL 22 N 0.53 0.41 0.38 -0.36 0.11 -0.96 -4.98 120.40 115.53 2uwq s VAL 22 Ca 0.39 -1.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.27 2uwq s VAL 22 Cb -0.19 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2uwq s VAL 22 CO 0.21 -0.56 0.41 0.42 -3.33 0.00 0.00 175.10 172.25 2uwq s THR 23 N -2.03 3.26 -0.78 5.04 -4.23 -1.26 -4.28 115.64 111.36 2uwq s THR 23 Ca -0.06 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2uwq s THR 23 Cb -0.06 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.57 2uwq s THR 23 CO -0.02 -0.08 1.96 -0.81 -0.54 0.00 0.00 174.62 175.13 2uwq n PRO 24 N -1.58 1.71 0.07 3.99 -0.04 -1.26 -3.11 135.00 134.77 2uwq n PRO 24 Ca 0.02 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2uwq n PRO 24 Cb 0.60 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2uwq n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2uwq n GLU 25 N 5.16 0.00 -3.10 0.54 4.71 -1.26 -5.09 120.64 121.60 2uwq n GLU 25 Ca 0.42 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 57.23 2uwq n GLU 25 Cb 0.21 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.57 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2uwq s THR 26 N -2.00 4.61 -0.03 2.62 -4.23 -1.18 -5.05 115.64 110.38 2uwq s THR 26 Ca 0.00 1.13 -0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2uwq s THR 26 Cb 0.00 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.14 2uwq s THR 26 CO 0.00 -0.02 0.02 0.27 -0.54 0.00 0.00 174.62 174.35 2uwq s ILE 27 N -1.79 0.07 0.00 2.99 -5.25 -1.26 -4.18 121.20 111.77 2uwq s ILE 27 Ca 0.50 0.17 0.00 0.00 -0.99 0.00 0.00 60.65 60.32 2uwq s ILE 27 Cb -0.13 -0.19 0.00 0.00 2.95 0.00 0.00 42.46 45.09 2uwq s ILE 27 CO 0.19 0.13 0.00 0.00 -1.79 0.00 0.00 174.94 173.47 2uwq h ARG 29 N 0.00 0.34 0.00 0.00 9.65 -1.90 -2.14 114.38 120.34 2uwq h ARG 29 Ca 0.00 -0.59 -0.14 0.00 -1.10 0.00 0.00 59.98 58.15 2uwq h ARG 29 Cb 0.36 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 2uwq h ARG 29 CO 0.00 1.28 -0.66 -0.44 2.80 0.00 0.00 179.97 182.95 2uwq h ASP 30 N -0.05 0.00 0.15 -3.80 3.32 -1.96 0.23 116.42 114.30 2uwq h ASP 30 Ca -0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2uwq h ASP 30 Cb 1.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 2uwq h ASP 30 CO 0.14 0.66 -0.07 0.58 -1.72 0.00 0.00 179.24 178.83 2uwq h VAL 31 N 0.00 1.00 -0.08 -1.35 2.07 -1.91 -0.94 116.25 115.05 2uwq h VAL 31 Ca -0.01 -0.85 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 2uwq h VAL 31 Cb 1.40 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2uwq h VAL 31 CO 0.09 0.19 -0.35 0.58 0.02 0.00 0.00 177.57 178.10 2uwq h VAL 32 N -0.62 1.41 -0.92 2.57 2.07 -1.45 -1.40 116.25 117.92 2uwq h VAL 32 Ca -0.02 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2uwq h VAL 32 Cb 0.47 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 2uwq h VAL 32 CO 0.03 0.50 0.60 -0.78 0.02 0.00 0.00 177.57 177.95 2uwq h ASP 33 N -0.11 0.98 0.58 0.57 3.58 -1.04 0.43 116.42 121.41 2uwq h ASP 33 Ca -0.02 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.15 2uwq h ASP 33 Cb 1.00 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.83 2uwq h ASP 33 CO 0.07 0.67 -1.22 -0.07 -2.88 0.00 0.00 179.24 175.81 2uwq h LEU 34 N 1.13 0.46 -3.80 2.28 3.38 -1.20 -3.30 115.31 114.26 2uwq h LEU 34 Ca 0.37 -0.47 -0.51 0.00 0.09 0.00 0.00 57.88 57.35 2uwq h LEU 34 Cb 0.04 -0.15 -0.28 0.00 0.09 0.00 0.00 40.66 40.36 2uwq h LEU 34 CO -0.12 1.36 0.25 0.00 0.09 0.00 0.00 178.44 180.02 2uwq s LYS 36 N -3.56 3.62 0.38 0.00 2.20 0.15 -4.76 119.74 117.77 2uwq s LYS 36 Ca 0.56 0.02 0.08 0.00 -0.36 0.00 0.00 55.97 56.27 2uwq s LYS 36 Cb 0.46 -2.61 -0.06 0.00 -1.51 0.00 0.00 37.83 34.10 2uwq s LYS 36 CO 0.02 0.17 0.03 -1.21 -0.36 0.00 0.00 175.35 174.00 2uwq s GLU 37 N -3.71 2.02 -0.82 4.03 0.41 -1.26 -5.03 118.70 114.35 2uwq s GLU 37 Ca 0.44 -1.93 -0.22 0.00 -0.41 0.00 0.00 54.97 52.85 2uwq s GLU 37 Cb -0.11 -1.80 -0.19 0.00 -1.78 0.00 0.00 34.13 30.25 2uwq s GLU 37 CO 0.31 0.02 2.39 -2.30 -0.49 0.00 0.00 175.26 175.19 2uwq n PRO 38 N -0.99 0.42 -1.12 0.39 -0.02 -1.26 -2.51 135.00 129.91 2uwq n PRO 38 Ca -0.04 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2uwq n PRO 38 Cb 0.65 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2uwq n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uwq n GLY 39 N 6.24 0.16 3.69 -1.23 0.00 -1.26 -5.04 105.19 107.74 2uwq n GLY 39 Ca 0.54 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2uwq n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uwq s GLU 40 N -2.75 4.30 -0.08 1.61 2.56 -1.04 -5.05 118.70 118.25 2uwq s GLU 40 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 54.97 55.65 2uwq s GLU 40 Cb 0.00 -3.52 0.03 0.00 2.00 0.00 0.00 34.13 32.65 2uwq s GLU 40 CO 0.00 -0.10 0.03 0.45 -0.56 0.00 0.00 175.26 175.08 2uwq s SER 41 N 0.99 1.67 -0.17 -1.70 0.15 -1.26 -5.00 113.70 108.39 2uwq s SER 41 Ca 0.32 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.69 2uwq s SER 41 Cb -0.16 -0.36 0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2uwq s SER 41 CO 0.13 -0.23 0.23 -0.67 1.20 0.00 0.00 173.24 173.89 2uwq n ASP 42 N 5.19 -0.86 -3.56 5.45 2.03 -1.26 -4.62 116.55 118.92 2uwq n ASP 42 Ca -0.06 1.33 -0.12 0.00 0.52 0.00 0.00 54.79 56.45 2uwq n ASP 42 Cb 0.50 -5.11 -0.04 0.00 -0.72 0.00 0.00 41.12 35.74 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2uwq s HIS 44 N -3.18 1.45 0.04 0.00 -3.43 -1.01 -4.74 115.29 104.42 2uwq s HIS 44 Ca -0.01 -0.64 -0.02 0.00 -0.80 0.00 0.00 55.06 53.59 2uwq s HIS 44 Cb 0.00 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 2uwq s HIS 44 CO -0.08 0.19 0.22 -1.17 -2.00 0.00 0.00 174.74 171.90 2uwq s LEU 45 N -3.00 4.36 0.16 5.38 2.96 -0.33 -1.70 118.68 126.50 2uwq s LEU 45 Ca 0.16 0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 2uwq s LEU 45 Cb -0.01 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2uwq s LEU 45 CO 0.03 0.20 -0.05 0.00 -1.32 0.00 0.00 176.35 175.21 2uwq s ALA 46 N -1.44 3.08 -0.18 5.97 0.00 0.70 0.51 121.76 130.39 2uwq s ALA 46 Ca 0.32 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 2uwq s ALA 46 Cb -0.13 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.15 2uwq s ALA 46 CO 0.24 0.52 0.02 -1.83 0.00 0.00 0.00 175.76 174.70 2uwq s GLU 47 N -2.73 0.78 -0.08 0.00 -1.05 -0.49 -1.72 118.70 113.40 2uwq s GLU 47 Ca 0.25 -0.40 0.03 0.00 -0.15 0.00 0.00 54.97 54.70 2uwq s GLU 47 Cb -0.10 -2.00 0.01 0.00 -0.44 0.00 0.00 34.13 31.60 2uwq s GLU 47 CO 0.16 -0.58 -0.19 0.08 0.95 0.00 0.00 175.26 175.69 2uwq s VAL 48 N 1.82 1.63 -0.11 1.83 1.01 -0.78 0.24 120.40 126.03 2uwq s VAL 48 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2uwq s VAL 48 Cb -0.16 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.84 2uwq s VAL 48 CO -0.07 0.46 0.23 -1.66 0.00 0.00 0.00 175.10 174.06 2uwq s TRP 49 N 0.45 -0.34 -1.64 5.22 -2.14 0.12 -0.40 118.94 120.21 2uwq s TRP 49 Ca -0.16 0.84 -0.17 0.00 2.66 0.00 0.00 56.10 59.26 2uwq s TRP 49 Cb -0.17 -0.09 0.14 0.00 -3.10 0.00 0.00 33.47 30.26 2uwq s TRP 49 CO 0.06 -0.31 0.82 0.00 -2.66 0.00 0.00 176.95 174.87 2uwq n GLY 51 N -1.44 2.27 3.49 0.00 0.00 -1.26 -5.00 105.19 103.25 2uwq n GLY 51 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2uwq n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uwq s SER 52 N -1.70 6.34 -0.13 1.61 0.01 0.22 -5.00 113.70 115.05 2uwq s SER 52 Ca 0.00 -1.23 -0.04 0.00 1.31 0.00 0.00 55.95 55.99 2uwq s SER 52 Cb 0.00 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2uwq s SER 52 CO 0.00 -1.43 0.01 -1.83 0.41 0.00 0.00 173.24 170.40 2uwq s GLU 53 N 4.18 3.41 -0.08 12.44 -1.05 -1.26 0.11 118.70 136.46 2uwq s GLU 53 Ca 0.31 -0.42 -0.09 0.00 -0.15 0.00 0.00 54.97 54.62 2uwq s GLU 53 Cb -0.09 -2.93 0.02 0.00 -0.44 0.00 0.00 34.13 30.69 2uwq s GLU 53 CO 0.03 0.48 0.25 0.50 0.95 0.00 0.00 175.26 177.47 2uwq s ARG 54 N -0.27 0.34 -0.06 -4.83 3.52 0.14 -4.96 118.95 112.83 2uwq s ARG 54 Ca 0.06 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 2uwq s ARG 54 Cb -0.12 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.38 2uwq s ARG 54 CO 0.02 -0.05 1.52 -2.14 -0.81 0.00 0.00 175.30 173.84 2uwq s PRO 55 N -0.08 4.21 -0.18 5.12 0.02 -1.26 -1.40 135.00 141.44 2uwq s PRO 55 Ca -0.02 2.04 -0.07 0.00 0.02 0.00 0.00 61.00 62.97 2uwq s PRO 55 Cb -0.02 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.62 2uwq s PRO 55 CO 0.01 -0.75 0.05 0.54 -0.33 0.00 0.00 177.00 176.51 2uwq s VAL 56 N 3.51 4.70 0.46 3.83 0.11 0.18 -4.92 120.40 128.27 2uwq s VAL 56 Ca 0.67 -0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.46 2uwq s VAL 56 Cb -0.31 -3.11 -0.10 0.00 -1.53 0.00 0.00 36.38 31.33 2uwq s VAL 56 CO 0.26 0.46 0.98 0.00 -3.33 0.00 0.00 175.10 173.47 2uwq s ALA 57 N 0.36 3.00 -0.52 1.54 0.00 -1.26 -1.19 121.76 123.69 2uwq s ALA 57 Ca 0.02 0.40 0.16 0.00 0.00 0.00 0.00 51.96 52.55 2uwq s ALA 57 Cb -0.13 -3.17 0.81 0.00 0.00 0.00 0.00 23.12 20.63 2uwq s ALA 57 CO 0.00 -0.07 1.50 -0.25 0.00 0.00 0.00 175.76 176.95 2uwq n ASP 58 N -0.94 0.40 -1.45 0.00 8.00 -1.26 -1.56 116.55 119.74 2uwq n ASP 58 Ca 0.07 0.66 0.03 0.00 0.71 0.00 0.00 54.79 56.26 2uwq n ASP 58 Cb 0.54 -0.72 0.30 0.00 -0.02 0.00 0.00 41.12 41.22 2uwq n ASP 58 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2uwq n ASN 59 N -2.00 4.45 -4.62 -2.24 0.23 -1.26 -2.80 115.26 107.02 2uwq n ASN 59 Ca 0.00 -3.13 -0.42 0.00 -0.53 0.00 0.00 54.58 50.51 2uwq n ASN 59 Cb 0.08 -0.64 -0.05 0.00 -2.08 0.00 0.00 39.78 37.09 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2uwq s GLU 60 N -2.90 4.05 0.21 -3.83 2.02 -0.60 -4.90 118.70 112.74 2uwq s GLU 60 Ca 0.49 0.71 -0.32 0.00 0.02 0.00 0.00 54.97 55.87 2uwq s GLU 60 Cb 0.39 -3.69 -0.13 0.00 0.10 0.00 0.00 34.13 30.80 2uwq s GLU 60 CO 0.11 -0.61 1.60 0.54 0.02 0.00 0.00 175.26 176.92 2uwq n ARG 61 N 6.12 2.43 0.00 1.61 3.00 -1.26 -4.05 116.66 124.51 2uwq n ARG 61 Ca 0.04 0.87 0.00 0.00 -0.01 0.00 0.00 57.85 58.75 2uwq n ARG 61 Cb 0.48 -2.65 0.00 0.00 0.00 0.00 0.00 32.46 30.29 2uwq n ARG 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uwq n MET 62 N 3.15 0.00 -0.11 5.56 0.00 -1.26 0.69 117.12 125.15 2uwq n MET 62 Ca 0.14 0.20 0.09 0.00 0.00 0.00 0.00 57.70 58.14 2uwq n MET 62 Cb 0.32 -0.43 0.44 0.00 0.00 0.00 0.00 33.22 33.56 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 2uwq h PHE 63 N 0.00 0.56 -0.86 3.17 0.05 -1.91 -0.76 116.94 117.20 2uwq h PHE 63 Ca 0.00 0.01 0.17 0.00 3.82 0.00 0.00 57.97 61.97 2uwq h PHE 63 Cb 0.00 -0.18 -0.06 0.00 2.00 0.00 0.00 35.95 37.70 2uwq h PHE 63 CO 0.00 0.28 0.56 -0.44 -0.18 0.00 0.00 178.31 178.53 2uwq h ASP 64 N 0.54 0.48 0.65 2.17 5.19 -0.08 0.68 116.42 126.05 2uwq h ASP 64 Ca 0.28 0.04 -0.25 0.00 -0.62 0.00 0.00 57.03 56.48 2uwq h ASP 64 Cb 0.40 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 2uwq h ASP 64 CO -0.09 0.23 -1.13 0.58 -3.12 0.00 0.00 179.24 175.71 2uwq h VAL 65 N 0.50 1.52 0.00 -1.35 2.07 0.98 -3.15 116.25 116.83 2uwq h VAL 65 Ca 0.44 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2uwq h VAL 65 Cb 0.93 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2uwq h VAL 65 CO -0.17 0.88 0.00 0.18 0.02 0.00 0.00 177.57 178.47 2uwq n LEU 66 N -3.54 0.00 0.07 2.57 4.32 0.17 -2.77 117.00 117.82 2uwq n LEU 66 Ca -0.06 0.36 0.11 0.00 -0.02 0.00 0.00 56.01 56.40 2uwq n LEU 66 Cb 0.97 -0.36 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 2uwq n LEU 66 CO 0.52 -0.09 -0.21 0.00 -1.22 0.00 0.00 177.39 176.38 2uwq n GLN 67 N -1.36 0.62 0.08 3.23 6.02 0.18 -4.13 117.38 122.01 2uwq n GLN 67 Ca 0.09 0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 57.04 2uwq n GLN 67 Cb 0.21 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2uwq h ARG 68 N 0.00 0.00 -0.41 -1.09 0.11 -1.60 -3.23 114.38 108.16 2uwq h ARG 68 Ca 0.00 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2uwq h ARG 68 Cb 0.99 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 2uwq h ARG 68 CO 0.00 0.91 -0.07 0.74 0.10 0.00 0.00 179.97 181.65 2uwq h PHE 69 N 0.00 0.77 0.00 4.08 -1.00 -1.72 -3.49 116.94 115.58 2uwq h PHE 69 Ca -0.01 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.65 2uwq h PHE 69 Cb 1.61 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.97 2uwq h PHE 69 CO 0.00 0.76 0.00 0.41 -1.61 0.00 0.00 178.31 177.87 2uwq n GLY 70 N -0.57 0.15 0.17 -1.45 0.00 -1.22 -4.66 105.19 97.62 2uwq n GLY 70 Ca 0.02 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.14 2uwq n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2uwq h SER 71 N 0.00 0.00 -1.85 1.61 0.02 -1.90 -3.39 113.55 108.04 2uwq h SER 71 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2uwq h SER 71 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2uwq h SER 71 CO 0.00 0.44 1.14 -1.10 -1.14 0.00 0.00 176.83 176.17 2uwq s GLN 72 N -3.68 3.62 0.10 3.45 1.11 -1.26 -4.77 119.66 118.22 2uwq s GLN 72 Ca -0.01 -1.54 0.15 0.00 0.01 0.00 0.00 55.36 53.97 2uwq s GLN 72 Cb 0.12 -5.11 -0.11 0.00 -1.01 0.00 0.00 33.01 26.90 2uwq s GLN 72 CO 0.71 -1.95 0.98 0.07 0.01 0.00 0.00 175.29 175.10 2uwq h ARG 73 N 9.14 0.00 -1.00 2.91 -0.00 -1.84 -3.33 114.38 120.27 2uwq h ARG 73 Ca 0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 59.98 59.73 2uwq h ARG 73 Cb 1.01 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 30.72 2uwq h ARG 73 CO 1.25 0.43 0.55 0.09 -0.00 0.00 0.00 179.97 182.28 2uwq n ASN 74 N -3.02 3.65 0.00 0.08 4.13 -1.26 -3.97 115.26 114.86 2uwq n ASN 74 Ca -0.07 -3.35 0.00 0.00 1.68 0.00 0.00 54.58 52.84 2uwq n ASN 74 Cb 0.86 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2uwq n GLU 75 N -0.87 3.57 -3.02 3.52 4.07 -1.25 -5.06 120.64 121.60 2uwq n GLU 75 Ca 0.50 -0.21 -0.23 0.00 -0.06 0.00 0.00 57.16 57.17 2uwq n GLU 75 Cb 1.49 -0.70 0.01 0.00 -0.06 0.00 0.00 31.44 32.18 2uwq n GLU 75 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2uwq s VAL 76 N -0.57 4.00 -0.02 6.31 0.11 -1.25 -4.07 120.40 124.91 2uwq s VAL 76 Ca 0.00 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2uwq s VAL 76 Cb 0.00 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 31.37 2uwq s VAL 76 CO 0.00 -0.32 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.19 2uwq s ARG 77 N -4.53 1.15 -0.12 1.54 0.52 0.47 -4.90 118.95 113.07 2uwq s ARG 77 Ca 0.48 -0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 2uwq s ARG 77 Cb -0.10 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 2uwq s ARG 77 CO 0.37 0.23 0.03 -0.06 0.02 0.00 0.00 175.30 175.89 2uwq s PHE 78 N -0.11 3.21 -0.01 -0.53 2.99 -0.34 -1.87 117.98 121.31 2uwq s PHE 78 Ca 0.01 0.14 -0.03 0.00 0.00 0.00 0.00 56.93 57.05 2uwq s PHE 78 Cb -0.07 -1.89 0.00 0.00 0.00 0.00 0.00 43.02 41.06 2uwq s PHE 78 CO 0.00 0.36 0.06 -0.06 -0.00 0.00 0.00 175.22 175.58 2uwq s PHE 79 N -0.45 0.01 -0.25 0.36 0.08 -0.70 0.13 117.98 117.15 2uwq s PHE 79 Ca 0.09 -0.00 -0.18 0.00 0.12 0.00 0.00 56.93 56.96 2uwq s PHE 79 Cb -0.12 -0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 2uwq s PHE 79 CO 0.02 -0.11 0.50 -1.17 -0.10 0.00 0.00 175.22 174.36 2uwq s LEU 80 N -0.49 4.06 -0.24 -0.37 1.98 -0.87 -0.22 118.68 122.54 2uwq s LEU 80 Ca -0.06 0.51 -0.04 0.00 -2.89 0.00 0.00 54.13 51.66 2uwq s LEU 80 Cb -0.04 -2.64 0.00 0.00 0.66 0.00 0.00 46.19 44.18 2uwq s LEU 80 CO 0.00 -0.26 -0.04 -0.13 -1.89 0.00 0.00 176.35 174.03 2uwq s ARG 81 N 2.20 3.20 0.16 1.98 1.81 -0.69 -4.71 118.95 122.91 2uwq s ARG 81 Ca 0.21 -0.75 -0.23 0.00 -1.72 0.00 0.00 55.73 53.24 2uwq s ARG 81 Cb -0.16 -3.04 -0.08 0.00 -0.45 0.00 0.00 34.95 31.23 2uwq s ARG 81 CO 0.09 -0.28 0.72 -1.01 -0.68 0.00 0.00 175.30 174.15 2uwq s HIS 82 N 1.44 3.82 0.00 -0.53 3.76 -1.26 -2.40 115.29 120.12 2uwq s HIS 82 Ca 0.04 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2uwq s HIS 82 Cb -0.15 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 30.86 2uwq s HIS 82 CO -0.03 0.48 0.00 0.39 -0.85 0.00 0.00 174.74 174.73