#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 -0.73 2.51 -0.02 0.00 -1.26 -5.01 105.19 100.68 2uwq n GLY -1 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 2uwq n GLY -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwq n SER 0 N -0.06 1.64 -2.90 1.61 3.41 -1.26 -5.10 113.62 110.96 2uwq n SER 0 Ca -0.01 -2.14 -0.15 0.00 -0.26 0.00 0.00 58.87 56.31 2uwq n SER 0 Cb 0.46 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 2uwq n SER 0 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2uwq n MET 1 N -0.40 0.56 -3.92 4.33 2.00 -1.26 -5.12 117.12 113.31 2uwq n MET 1 Ca 0.09 -2.73 -0.29 0.00 0.00 0.00 0.00 57.70 54.76 2uwq n MET 1 Cb 0.87 2.49 -0.13 0.00 0.00 0.00 0.00 33.22 36.45 2uwq n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2uwq s MET 2 N -2.90 2.09 0.00 0.03 0.00 -1.26 -5.10 119.30 112.16 2uwq s MET 2 Ca 0.30 -2.83 0.00 0.00 0.00 0.00 0.00 55.69 53.16 2uwq s MET 2 Cb -0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.83 31.54 2uwq s MET 2 CO 0.21 -1.17 0.00 -0.35 0.00 0.00 0.00 175.02 173.71 2uwq n PRO 3 N 2.75 -0.35 -1.54 3.16 -0.04 -1.26 -5.10 135.00 132.61 2uwq n PRO 3 Ca 0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2uwq n PRO 3 Cb 0.33 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2uwq n PRO 3 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2uwq n MET 4 N -0.97 0.10 -3.65 0.54 2.81 -1.26 -5.10 117.12 109.58 2uwq n MET 4 Ca 0.00 -0.26 -0.10 0.00 -1.81 0.00 0.00 57.70 55.53 2uwq n MET 4 Cb 0.00 0.28 -0.04 0.00 -0.71 0.00 0.00 33.22 32.76 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 -6.61 -0.20 0.00 2.03 -0.12 -1.26 -2.43 117.98 109.39 2uwq s PHE 5 Ca 0.02 -0.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2uwq s PHE 5 Cb -0.00 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2uwq s PHE 5 CO 0.02 -0.81 -0.16 -1.17 -0.05 0.00 0.00 175.22 173.04 2uwq s LEU 6 N -2.83 2.07 -0.27 -1.99 0.20 -0.82 -4.95 118.68 110.10 2uwq s LEU 6 Ca 0.06 -0.35 -0.08 0.00 0.69 0.00 0.00 54.13 54.44 2uwq s LEU 6 Cb 0.00 -0.81 -0.02 0.00 -0.43 0.00 0.00 46.19 44.93 2uwq s LEU 6 CO -0.08 0.16 0.10 -0.89 -0.29 0.00 0.00 176.35 175.36 2uwq s THR 7 N -0.52 4.47 0.17 3.68 2.01 -1.26 -1.57 115.64 122.61 2uwq s THR 7 Ca 0.06 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2uwq s THR 7 Cb -0.07 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2uwq s THR 7 CO 0.00 0.25 0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 2uwq s VAL 8 N 1.62 4.48 -0.12 3.82 1.01 -0.64 -1.39 120.40 129.18 2uwq s VAL 8 Ca 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2uwq s VAL 8 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2uwq s VAL 8 CO 0.05 -0.13 0.03 -0.31 0.00 0.00 0.00 175.10 174.74 2uwq s TYR 9 N -1.79 3.23 -0.09 5.22 4.12 0.32 0.15 117.35 128.51 2uwq s TYR 9 Ca 0.31 0.17 -0.06 0.00 0.02 0.00 0.00 57.07 57.51 2uwq s TYR 9 Cb -0.10 -1.88 0.04 0.00 -1.52 0.00 0.00 41.96 38.50 2uwq s TYR 9 CO 0.23 0.40 0.23 -0.48 0.02 0.00 0.00 175.55 175.95 2uwq s LEU 10 N -0.54 0.72 0.27 -1.29 -0.00 -0.31 -1.84 118.68 115.69 2uwq s LEU 10 Ca 0.10 0.47 0.00 0.00 -0.00 0.00 0.00 54.13 54.70 2uwq s LEU 10 Cb -0.12 0.71 0.00 0.00 -0.00 0.00 0.00 46.19 46.78 2uwq s LEU 10 CO 0.02 -0.13 0.00 -0.24 -0.00 0.00 0.00 176.35 176.00 2uwq n SER 11 N 3.75 -6.71 -1.41 1.48 2.88 -1.26 -4.51 113.62 107.84 2uwq n SER 11 Ca -0.21 0.46 0.19 0.00 -1.33 0.00 0.00 58.87 57.98 2uwq n SER 11 Cb 0.55 -3.55 -0.05 0.00 -0.75 0.00 0.00 64.21 60.41 2uwq n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2uwq n ASN 12 N -4.34 -8.37 0.00 -3.46 5.15 -1.26 -4.44 115.26 98.54 2uwq n ASN 12 Ca 0.01 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 2uwq n ASN 12 Cb 0.63 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.56 2uwq n ASN 12 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2uwq n ASN 13 N -4.31 0.00 -2.69 1.20 3.02 -1.26 -4.83 115.26 106.39 2uwq n ASN 13 Ca 0.00 0.49 -0.03 0.00 -0.03 0.00 0.00 54.58 55.01 2uwq n ASN 13 Cb 0.67 -0.15 0.12 0.00 -0.61 0.00 0.00 39.78 39.80 2uwq n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2uwq n GLU 14 N -0.95 1.38 0.00 3.52 2.13 -1.26 -4.92 120.64 120.53 2uwq n GLU 14 Ca 0.00 -1.52 0.00 0.00 0.66 0.00 0.00 57.16 56.30 2uwq n GLU 14 Cb 0.00 0.17 0.00 0.00 0.27 0.00 0.00 31.44 31.88 2uwq n GLU 14 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2uwq n GLN 15 N -1.34 3.14 -3.64 5.31 -0.06 -1.26 -5.01 117.38 114.52 2uwq n GLN 15 Ca -0.14 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.49 2uwq n GLN 15 Cb 0.87 -0.25 -0.10 0.00 -4.06 0.00 0.00 30.24 26.69 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2uwq s HIS 16 N -0.47 3.25 0.07 3.69 2.46 -1.26 -5.05 115.29 117.97 2uwq s HIS 16 Ca 0.00 0.13 -0.05 0.00 0.47 0.00 0.00 55.06 55.61 2uwq s HIS 16 Cb 0.00 -2.32 -0.02 0.00 -0.13 0.00 0.00 32.58 30.11 2uwq s HIS 16 CO 0.00 -0.07 0.08 -0.59 -2.47 0.00 0.00 174.74 171.68 2uwq s PHE 17 N 1.44 0.34 -0.18 3.88 -0.12 -1.26 -1.16 117.98 120.93 2uwq s PHE 17 Ca 0.07 -0.83 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2uwq s PHE 17 Cb -0.15 -0.23 0.05 0.00 -0.63 0.00 0.00 43.02 42.06 2uwq s PHE 17 CO 0.08 -0.46 -0.03 -0.08 -0.05 0.00 0.00 175.22 174.68 2uwq s THR 18 N -3.88 1.06 0.21 -4.49 -1.32 0.40 -4.91 115.64 102.71 2uwq s THR 18 Ca 0.06 -0.70 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 2uwq s THR 18 Cb 0.06 -1.31 -0.06 0.00 -1.51 0.00 0.00 72.50 69.69 2uwq s THR 18 CO -0.10 0.03 0.46 -1.83 -2.21 0.00 0.00 174.62 170.97 2uwq s GLU 19 N 1.64 3.64 -0.23 7.08 1.03 -1.26 -1.62 118.70 128.98 2uwq s GLU 19 Ca -0.01 -0.03 -0.17 0.00 0.03 0.00 0.00 54.97 54.79 2uwq s GLU 19 Cb -0.16 -2.75 0.06 0.00 -0.80 0.00 0.00 34.13 30.48 2uwq s GLU 19 CO -0.07 0.36 0.59 0.14 -1.33 0.00 0.00 175.26 174.94 2uwq s VAL 20 N -1.84 -0.00 -0.09 1.83 -7.23 -0.61 -4.98 120.40 107.48 2uwq s VAL 20 Ca 0.43 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 60.41 2uwq s VAL 20 Cb -0.11 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 2uwq s VAL 20 CO 0.26 0.01 0.57 -2.16 -0.31 0.00 0.00 175.10 173.47 2uwq s PRO 21 N 0.88 4.37 0.15 4.82 0.04 -1.26 -1.94 135.00 142.06 2uwq s PRO 21 Ca -0.05 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 2uwq s PRO 21 Cb -0.05 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2uwq s PRO 21 CO -0.07 0.15 0.13 0.14 0.04 0.00 0.00 177.00 177.39 2uwq s VAL 22 N 0.59 0.08 0.41 -0.36 -7.23 -1.02 -4.99 120.40 107.87 2uwq s VAL 22 Ca 0.31 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 2uwq s VAL 22 Cb -0.16 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.71 2uwq s VAL 22 CO 0.14 -0.34 0.55 0.42 -0.31 0.00 0.00 175.10 175.55 2uwq s THR 23 N -4.05 3.10 -0.68 5.32 -4.23 -1.26 -4.11 115.64 109.73 2uwq s THR 23 Ca 0.25 -1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2uwq s THR 23 Cb 0.06 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 2uwq s THR 23 CO 0.03 -0.02 2.41 -0.81 -0.54 0.00 0.00 174.62 175.69 2uwq n PRO 24 N -1.81 2.04 0.00 3.99 -0.04 -1.26 -3.07 135.00 134.85 2uwq n PRO 24 Ca 0.07 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2uwq n PRO 24 Cb 0.59 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.54 0.00 -3.00 0.54 4.71 -1.26 -5.03 120.64 120.15 2uwq n GLU 25 Ca 0.44 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 57.21 2uwq n GLU 25 Cb 0.32 -0.30 -0.06 0.00 -1.01 0.00 0.00 31.44 30.39 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 -1.80 4.42 -0.03 2.62 -4.23 -1.17 -4.98 115.64 110.47 2uwq s THR 26 Ca 0.00 1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 62.06 2uwq s THR 26 Cb 0.00 -4.00 0.03 0.00 1.34 0.00 0.00 72.50 69.86 2uwq s THR 26 CO 0.00 0.33 0.03 0.27 -0.54 0.00 0.00 174.62 174.71 2uwq s ILE 27 N -1.38 0.00 0.00 2.99 -0.00 -1.26 -3.57 121.20 117.99 2uwq s ILE 27 Ca 0.41 0.22 0.00 0.00 -0.00 0.00 0.00 60.65 61.28 2uwq s ILE 27 Cb -0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 42.46 42.11 2uwq s ILE 27 CO 0.24 0.12 0.00 0.00 -0.00 0.00 0.00 174.94 175.30 2uwq h ARG 29 N 0.00 0.19 -0.02 0.00 9.65 -1.90 -2.20 114.38 120.11 2uwq h ARG 29 Ca 0.00 -0.32 -0.16 0.00 -1.10 0.00 0.00 59.98 58.39 2uwq h ARG 29 Cb 0.27 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2uwq h ARG 29 CO 0.00 1.15 -0.74 -0.44 2.80 0.00 0.00 179.97 182.75 2uwq h ASP 30 N -0.53 0.16 0.25 -3.80 3.32 -1.96 0.87 116.42 114.73 2uwq h ASP 30 Ca -0.21 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2uwq h ASP 30 Cb 1.54 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2uwq h ASP 30 CO 0.04 0.84 -0.12 0.58 -1.72 0.00 0.00 179.24 178.86 2uwq h VAL 31 N 0.08 0.80 -0.00 -1.35 2.07 -1.91 -1.84 116.25 114.10 2uwq h VAL 31 Ca -0.02 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2uwq h VAL 31 Cb 1.30 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2uwq h VAL 31 CO 0.11 0.08 -0.00 0.58 0.02 0.00 0.00 177.57 178.35 2uwq h VAL 32 N -0.52 1.55 -0.64 2.57 2.07 -1.43 -1.34 116.25 118.51 2uwq h VAL 32 Ca -0.03 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 66.01 2uwq h VAL 32 Cb 0.39 2.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.70 2uwq h VAL 32 CO 0.06 0.42 0.10 0.44 0.02 0.00 0.00 177.57 178.60 2uwq h ASP 33 N -0.68 -0.08 0.58 0.57 3.45 -0.90 0.26 116.42 119.61 2uwq h ASP 33 Ca -0.00 0.13 -0.28 0.00 0.43 0.00 0.00 57.03 57.31 2uwq h ASP 33 Cb 0.68 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 2uwq h ASP 33 CO 0.00 -0.04 -1.33 -0.07 -1.57 0.00 0.00 179.24 176.23 2uwq h LEU 34 N 0.22 0.42 -3.87 1.55 3.38 -1.43 -3.31 115.31 112.27 2uwq h LEU 34 Ca 0.34 -0.48 -0.52 0.00 0.09 0.00 0.00 57.88 57.31 2uwq h LEU 34 Cb 0.55 -0.14 -0.28 0.00 0.09 0.00 0.00 40.66 40.88 2uwq h LEU 34 CO -0.47 1.39 0.67 0.00 0.09 0.00 0.00 178.44 180.11 2uwq s LYS 36 N -3.19 1.97 0.01 0.00 2.20 0.88 -4.82 119.74 116.79 2uwq s LYS 36 Ca 0.55 -1.45 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 2uwq s LYS 36 Cb 0.45 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2uwq s LYS 36 CO 0.07 -1.17 0.00 -1.91 -0.36 0.00 0.00 175.35 171.98 2uwq n GLU 37 N -2.53 0.00 -0.25 4.03 2.13 -1.26 -4.96 120.64 117.80 2uwq n GLU 37 Ca 0.16 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.00 2uwq n GLU 37 Cb 0.61 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.44 2uwq n GLU 37 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2uwq n PRO 38 N -2.81 2.10 0.00 5.31 -0.04 -1.26 -4.99 135.00 133.31 2uwq n PRO 38 Ca 0.00 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2uwq n PRO 38 Cb 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 2uwq n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uwq n GLY 39 N 0.31 -3.00 3.55 0.55 0.00 -1.26 -4.74 105.19 100.59 2uwq n GLY 39 Ca 0.08 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -5.31 1.93 -0.30 1.61 2.12 -1.26 -4.87 118.70 112.63 2uwq s GLU 40 Ca 0.00 1.11 -0.03 0.00 0.36 0.00 0.00 54.97 56.41 2uwq s GLU 40 Cb 0.00 -4.65 0.10 0.00 0.26 0.00 0.00 34.13 29.84 2uwq s GLU 40 CO 0.00 -3.66 0.12 -1.12 -0.54 0.00 0.00 175.26 170.06 2uwq s SER 41 N 11.79 3.71 -1.00 -1.70 0.01 -1.26 -4.93 113.70 120.32 2uwq s SER 41 Ca 0.96 -1.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 2uwq s SER 41 Cb -0.16 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.55 2uwq s SER 41 CO 0.20 -0.43 0.69 -0.67 0.41 0.00 0.00 173.24 173.44 2uwq n ASP 42 N 5.09 -5.22 -4.67 2.44 -0.08 -1.26 -4.82 116.55 108.04 2uwq n ASP 42 Ca -0.04 -0.95 -0.26 0.00 -1.51 0.00 0.00 54.79 52.03 2uwq n ASP 42 Cb 0.42 -2.65 -0.09 0.00 2.34 0.00 0.00 41.12 41.14 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2uwq s HIS 44 N -2.63 -0.00 -0.01 0.00 -3.43 -1.08 -4.75 115.29 103.39 2uwq s HIS 44 Ca 0.38 -0.31 -0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2uwq s HIS 44 Cb 0.06 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 2uwq s HIS 44 CO 0.20 -0.55 0.07 -1.17 -2.00 0.00 0.00 174.74 171.29 2uwq s LEU 45 N -2.56 3.86 0.14 5.38 2.96 -0.58 -1.77 118.68 126.12 2uwq s LEU 45 Ca 0.01 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 2uwq s LEU 45 Cb 0.02 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2uwq s LEU 45 CO -0.08 0.28 0.03 0.00 -1.32 0.00 0.00 176.35 175.26 2uwq s ALA 46 N -1.17 3.32 -0.19 5.97 0.00 0.76 0.83 121.76 131.27 2uwq s ALA 46 Ca 0.22 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2uwq s ALA 46 Cb -0.12 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.91 2uwq s ALA 46 CO 0.13 0.56 -0.01 -1.83 0.00 0.00 0.00 175.76 174.61 2uwq s GLU 47 N -2.78 1.09 -0.11 0.00 -1.05 0.42 -1.70 118.70 114.56 2uwq s GLU 47 Ca 0.28 -0.58 0.02 0.00 -0.15 0.00 0.00 54.97 54.54 2uwq s GLU 47 Cb -0.10 -2.18 0.01 0.00 -0.44 0.00 0.00 34.13 31.42 2uwq s GLU 47 CO 0.20 -0.57 -0.17 0.08 0.95 0.00 0.00 175.26 175.75 2uwq s VAL 48 N 1.68 1.61 -0.10 1.83 1.01 -0.70 0.37 120.40 126.09 2uwq s VAL 48 Ca -0.02 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2uwq s VAL 48 Cb -0.17 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.81 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 0.86 -0.32 -1.51 5.22 -2.14 0.67 -1.01 118.94 120.71 2uwq s TRP 49 Ca -0.09 0.78 -0.13 0.00 2.66 0.00 0.00 56.10 59.32 2uwq s TRP 49 Cb -0.15 -0.03 0.10 0.00 -3.10 0.00 0.00 33.47 30.28 2uwq s TRP 49 CO 0.00 -0.27 0.80 0.00 -2.66 0.00 0.00 176.95 174.83 2uwq n GLY 51 N -1.49 1.98 3.49 0.00 0.00 -1.26 -4.99 105.19 102.92 2uwq n GLY 51 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.37 6.34 -0.17 1.61 0.01 0.16 -5.00 113.70 114.28 2uwq s SER 52 Ca 0.00 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 55.96 2uwq s SER 52 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2uwq s SER 52 CO 0.00 -1.45 0.10 -1.83 0.41 0.00 0.00 173.24 170.47 2uwq s GLU 53 N 4.25 3.90 0.03 12.44 -1.05 -1.26 -0.24 118.70 136.78 2uwq s GLU 53 Ca 0.32 -0.26 -0.10 0.00 -0.15 0.00 0.00 54.97 54.77 2uwq s GLU 53 Cb -0.09 -3.26 0.01 0.00 -0.44 0.00 0.00 34.13 30.35 2uwq s GLU 53 CO 0.03 0.40 0.21 1.03 0.95 0.00 0.00 175.26 177.88 2uwq s ARG 54 N 0.04 0.67 -0.15 -4.83 0.52 0.16 -4.96 118.95 110.39 2uwq s ARG 54 Ca 0.08 -0.52 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 2uwq s ARG 54 Cb -0.12 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.62 2uwq s ARG 54 CO 0.00 -0.19 0.93 -1.25 0.02 0.00 0.00 175.30 174.81 2uwq s PRO 55 N -2.20 4.34 -0.16 3.54 0.04 -1.26 -0.44 135.00 138.87 2uwq s PRO 55 Ca -0.08 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 2uwq s PRO 55 Cb -0.03 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2uwq s PRO 55 CO -0.02 -0.36 0.06 0.14 0.04 0.00 0.00 177.00 176.86 2uwq s VAL 56 N 2.23 4.81 0.16 -0.36 -7.23 0.24 -4.89 120.40 115.36 2uwq s VAL 56 Ca 0.43 -0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 2uwq s VAL 56 Cb -0.17 -3.14 -0.07 0.00 0.56 0.00 0.00 36.38 33.57 2uwq s VAL 56 CO 0.14 0.51 0.99 0.00 -0.31 0.00 0.00 175.10 176.42 2uwq s ALA 57 N -0.02 3.29 -0.57 1.32 0.00 -1.26 -1.52 121.76 122.99 2uwq s ALA 57 Ca 0.06 0.64 0.12 0.00 0.00 0.00 0.00 51.96 52.79 2uwq s ALA 57 Cb -0.12 -3.28 0.64 0.00 0.00 0.00 0.00 23.12 20.36 2uwq s ALA 57 CO 0.01 -0.02 1.37 -0.25 0.00 0.00 0.00 175.76 176.87 2uwq n ASP 58 N 2.39 0.31 -1.93 0.00 10.43 -1.26 -1.31 116.55 125.18 2uwq n ASP 58 Ca 0.01 0.64 0.03 0.00 2.57 0.00 0.00 54.79 58.04 2uwq n ASP 58 Cb 0.48 -0.68 0.37 0.00 1.84 0.00 0.00 41.12 43.13 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2uwq n ASN 59 N -1.91 5.45 -4.73 -2.24 4.13 -1.26 -2.98 115.26 111.71 2uwq n ASN 59 Ca -0.01 -3.01 -0.36 0.00 1.68 0.00 0.00 54.58 52.88 2uwq n ASN 59 Cb 0.03 -0.71 -0.07 0.00 -1.54 0.00 0.00 39.78 37.49 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2uwq s GLU 60 N -2.82 4.21 0.26 3.52 0.41 -0.43 -4.91 118.70 118.94 2uwq s GLU 60 Ca 0.54 0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.80 2uwq s GLU 60 Cb 0.42 -3.41 -0.10 0.00 -1.78 0.00 0.00 34.13 29.25 2uwq s GLU 60 CO 0.15 0.28 1.45 1.03 -0.49 0.00 0.00 175.26 177.68 2uwq s ARG 61 N 0.37 4.26 0.00 1.61 0.52 -1.26 -3.61 118.95 120.84 2uwq s ARG 61 Ca 0.14 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 2uwq s ARG 61 Cb -0.12 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.25 2uwq s ARG 61 CO 0.02 -0.43 0.35 -0.12 0.02 0.00 0.00 175.30 175.15 2uwq n MET 62 N 2.22 0.00 -0.29 3.54 1.56 -1.23 0.73 117.12 123.65 2uwq n MET 62 Ca 0.06 0.35 0.17 0.00 -0.27 0.00 0.00 57.70 58.02 2uwq n MET 62 Cb 0.40 -0.70 0.44 0.00 2.15 0.00 0.00 33.22 35.50 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 2uwq h PHE 63 N 0.00 0.75 -0.80 1.12 0.04 -1.90 0.13 116.94 116.27 2uwq h PHE 63 Ca 0.00 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.93 2uwq h PHE 63 Cb 0.00 -0.23 -0.09 0.00 2.20 0.00 0.00 35.95 37.83 2uwq h PHE 63 CO -0.01 0.18 0.39 0.22 -0.60 0.00 0.00 178.31 178.49 2uwq h ASP 64 N 0.55 0.45 0.47 2.17 -0.00 -0.04 0.60 116.42 120.62 2uwq h ASP 64 Ca 0.52 0.09 -0.15 0.00 -0.00 0.00 0.00 57.03 57.49 2uwq h ASP 64 Cb 1.07 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.42 2uwq h ASP 64 CO -0.25 0.20 -0.65 0.58 -0.00 0.00 0.00 179.24 179.11 2uwq h VAL 65 N 0.57 1.42 0.00 2.25 2.07 0.27 -2.82 116.25 120.01 2uwq h VAL 65 Ca 0.43 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2uwq h VAL 65 Cb 0.60 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2uwq h VAL 65 CO -0.36 0.62 0.00 0.18 0.02 0.00 0.00 177.57 178.03 2uwq n LEU 66 N -3.82 0.13 0.10 2.57 4.32 0.15 -2.84 117.00 117.63 2uwq n LEU 66 Ca -0.02 0.52 0.11 0.00 -0.02 0.00 0.00 56.01 56.61 2uwq n LEU 66 Cb 0.65 -0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2uwq n LEU 66 CO 0.44 -0.17 0.01 0.00 -1.22 0.00 0.00 177.39 176.45 2uwq n GLN 67 N -1.64 0.60 0.08 3.23 1.13 0.16 -4.03 117.38 116.92 2uwq n GLN 67 Ca 0.05 0.12 -0.05 0.00 -1.94 0.00 0.00 57.00 55.17 2uwq n GLN 67 Cb 0.27 -1.82 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2uwq h ARG 68 N 0.00 0.00 0.21 -1.09 0.11 -1.57 -3.31 114.38 108.75 2uwq h ARG 68 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2uwq h ARG 68 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 2uwq h ARG 68 CO 0.00 0.88 -0.11 0.74 0.10 0.00 0.00 179.97 181.59 2uwq h PHE 69 N 0.00 -0.28 0.00 4.08 0.04 -1.70 -3.49 116.94 115.59 2uwq h PHE 69 Ca -0.01 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2uwq h PHE 69 Cb 1.56 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.80 2uwq h PHE 69 CO 0.00 -0.17 0.00 0.41 -0.60 0.00 0.00 178.31 177.95 2uwq n GLY 70 N -1.22 0.31 0.20 -1.45 0.00 -1.25 -4.87 105.19 96.91 2uwq n GLY 70 Ca -0.09 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.66 2uwq n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2uwq h SER 71 N 0.00 0.09 -2.61 1.61 0.87 -1.91 -3.36 113.55 108.23 2uwq h SER 71 Ca 0.00 -0.03 -0.72 0.00 -1.23 0.00 0.00 61.79 59.82 2uwq h SER 71 Cb 0.00 -0.02 -0.19 0.00 -0.44 0.00 0.00 62.40 61.74 2uwq h SER 71 CO 0.00 0.40 0.81 -1.58 -0.53 0.00 0.00 176.83 175.93 2uwq s GLN 72 N -4.33 3.71 0.17 2.24 2.00 -1.26 -4.81 119.66 117.38 2uwq s GLN 72 Ca -0.04 -2.06 0.10 0.00 -2.00 0.00 0.00 55.36 51.36 2uwq s GLN 72 Cb 0.15 -4.86 -0.11 0.00 0.80 0.00 0.00 33.01 28.99 2uwq s GLN 72 CO 0.73 -1.68 1.31 0.07 -0.50 0.00 0.00 175.29 175.22 2uwq h ARG 73 N 8.30 0.00 -1.32 1.67 0.11 -1.78 -3.30 114.38 118.07 2uwq h ARG 73 Ca 0.18 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.69 2uwq h ARG 73 Cb 0.99 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 31.84 2uwq h ARG 73 CO 1.08 0.78 0.72 0.09 0.10 0.00 0.00 179.97 182.74 2uwq n ASN 74 N -3.28 7.24 0.00 0.08 4.13 -1.26 -4.00 115.26 118.16 2uwq n ASN 74 Ca -0.00 -3.53 0.00 0.00 1.68 0.00 0.00 54.58 52.73 2uwq n ASN 74 Cb 0.87 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.37 -0.26 -3.45 3.52 4.07 -1.24 -5.09 120.64 117.82 2uwq n GLU 75 Ca 0.51 -0.26 -0.21 0.00 -0.06 0.00 0.00 57.16 57.13 2uwq n GLU 75 Cb 0.59 -0.70 -0.01 0.00 -0.06 0.00 0.00 31.44 31.26 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 -0.04 4.52 -0.04 6.31 0.11 -1.26 -4.29 120.40 125.71 2uwq s VAL 76 Ca 0.00 -0.77 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2uwq s VAL 76 Cb 0.00 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 2uwq s VAL 76 CO 0.00 -0.31 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.14 2uwq s ARG 77 N -4.25 1.84 -0.07 1.54 3.00 -0.18 -4.87 118.95 115.95 2uwq s ARG 77 Ca 0.42 -0.67 -0.00 0.00 0.00 0.00 0.00 55.73 55.48 2uwq s ARG 77 Cb -0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 34.95 33.19 2uwq s ARG 77 CO 0.33 0.31 -0.04 -0.06 0.00 0.00 0.00 175.30 175.84 2uwq s PHE 78 N -0.12 3.02 0.01 -0.53 0.08 -0.49 -1.72 117.98 118.22 2uwq s PHE 78 Ca -0.01 0.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 2uwq s PHE 78 Cb -0.11 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2uwq s PHE 78 CO 0.02 0.38 0.06 -0.06 -0.10 0.00 0.00 175.22 175.52 2uwq s PHE 79 N -0.84 0.12 -0.21 0.36 0.40 -0.69 0.12 117.98 117.24 2uwq s PHE 79 Ca 0.13 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 2uwq s PHE 79 Cb -0.11 -0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 2uwq s PHE 79 CO 0.02 -0.23 0.48 -1.17 0.70 0.00 0.00 175.22 175.02 2uwq s LEU 80 N -1.29 4.14 -0.19 -0.37 1.98 -0.77 -0.17 118.68 122.00 2uwq s LEU 80 Ca -0.14 0.60 -0.00 0.00 -2.89 0.00 0.00 54.13 51.70 2uwq s LEU 80 Cb -0.08 -2.64 0.01 0.00 0.66 0.00 0.00 46.19 44.14 2uwq s LEU 80 CO 0.00 -0.16 -0.16 -0.13 -1.89 0.00 0.00 176.35 174.01 2uwq s ARG 81 N 1.63 3.08 -0.26 1.98 1.81 -0.73 -4.97 118.95 121.50 2uwq s ARG 81 Ca 0.22 -0.78 -0.06 0.00 -1.72 0.00 0.00 55.73 53.39 2uwq s ARG 81 Cb -0.15 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.67 2uwq s ARG 81 CO 0.09 -0.20 0.04 -1.01 -0.68 0.00 0.00 175.30 173.54 2uwq s HIS 82 N 1.32 3.07 -2.00 -0.53 3.76 -1.26 -2.64 115.29 117.01 2uwq s HIS 82 Ca 0.05 -0.79 0.25 0.00 -0.15 0.00 0.00 55.06 54.42 2uwq s HIS 82 Cb -0.13 -2.20 1.49 0.00 1.11 0.00 0.00 32.58 32.84 2uwq s HIS 82 CO -0.10 -0.50 1.85 -1.91 -0.85 0.00 0.00 174.74 173.23