#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 -0.66 3.27 -0.02 0.00 -1.26 -4.78 105.19 101.74 2uwq n GLY -1 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.60 6.84 -0.28 1.61 1.04 -1.26 -4.96 113.70 112.08 2uwq s SER 0 Ca -0.07 -3.48 -0.03 0.00 0.48 0.00 0.00 55.95 52.86 2uwq s SER 0 Cb 0.04 -2.12 0.10 0.00 0.10 0.00 0.00 66.02 64.14 2uwq s SER 0 CO 0.55 -0.30 0.11 -0.32 0.98 0.00 0.00 173.24 174.26 2uwq s MET 1 N -1.05 0.41 0.22 4.02 -2.45 -1.26 -5.14 119.30 114.05 2uwq s MET 1 Ca 0.28 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 54.07 2uwq s MET 1 Cb -0.10 -1.57 -0.03 0.00 1.25 0.00 0.00 34.83 34.38 2uwq s MET 1 CO -0.09 -0.96 0.28 -1.64 1.05 0.00 0.00 175.02 173.65 2uwq s MET 2 N 1.91 3.25 0.96 4.11 1.00 -1.26 -5.11 119.30 124.15 2uwq s MET 2 Ca 0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 55.69 54.84 2uwq s MET 2 Cb -0.17 -2.79 0.17 0.00 0.00 0.00 0.00 34.83 32.04 2uwq s MET 2 CO -0.29 0.45 1.09 -1.25 0.00 0.00 0.00 175.02 175.01 2uwq s PRO 3 N -3.70 0.73 0.00 2.03 0.04 -1.26 -5.07 135.00 127.77 2uwq s PRO 3 Ca 0.33 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2uwq s PRO 3 Cb -0.09 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2uwq s PRO 3 CO 0.27 -2.60 0.00 -1.33 0.04 0.00 0.00 177.00 173.38 2uwq n MET 4 N -4.13 0.00 -3.71 4.56 2.81 -1.26 -5.09 117.12 110.30 2uwq n MET 4 Ca 0.06 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.86 2uwq n MET 4 Cb 0.55 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.02 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 -7.06 -0.13 0.00 2.03 -0.12 -1.26 -2.25 117.98 109.19 2uwq s PHE 5 Ca 0.00 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 2uwq s PHE 5 Cb 0.00 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 2uwq s PHE 5 CO 0.00 -0.87 -0.11 -1.17 -0.05 0.00 0.00 175.22 173.02 2uwq s LEU 6 N -2.86 2.07 -0.30 -1.99 0.20 -0.78 -4.96 118.68 110.06 2uwq s LEU 6 Ca 0.08 -0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.52 2uwq s LEU 6 Cb -0.00 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 2uwq s LEU 6 CO -0.05 0.09 0.22 -0.89 -0.29 0.00 0.00 176.35 175.43 2uwq s THR 7 N -0.43 5.29 0.28 3.68 2.01 -1.26 -1.61 115.64 123.59 2uwq s THR 7 Ca 0.03 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.11 2uwq s THR 7 Cb -0.05 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2uwq s THR 7 CO -0.00 0.14 0.42 -0.69 -0.69 0.00 0.00 174.62 173.80 2uwq s VAL 8 N 1.77 4.93 -0.16 3.82 1.01 0.26 -1.24 120.40 130.80 2uwq s VAL 8 Ca 0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2uwq s VAL 8 Cb -0.17 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2uwq s VAL 8 CO 0.11 -0.33 -0.09 -0.31 0.00 0.00 0.00 175.10 174.49 2uwq s TYR 9 N -2.09 2.90 0.01 5.22 4.12 0.35 0.16 117.35 128.02 2uwq s TYR 9 Ca 0.38 -0.61 -0.22 0.00 0.02 0.00 0.00 57.07 56.63 2uwq s TYR 9 Cb -0.09 -1.93 -0.05 0.00 -1.52 0.00 0.00 41.96 38.36 2uwq s TYR 9 CO 0.31 -0.24 0.65 -0.51 0.02 0.00 0.00 175.55 175.78 2uwq s LEU 10 N 0.60 4.42 0.00 -1.29 1.02 -0.82 -2.15 118.68 120.46 2uwq s LEU 10 Ca -0.05 1.25 0.00 0.00 0.02 0.00 0.00 54.13 55.35 2uwq s LEU 10 Cb -0.15 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.04 2uwq s LEU 10 CO 0.03 0.07 0.00 -1.54 0.02 0.00 0.00 176.35 174.93 2uwq n SER 11 N 2.79 -3.90 -2.19 2.29 3.41 -1.26 -3.45 113.62 111.30 2uwq n SER 11 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.28 2uwq n SER 11 Cb 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2uwq n SER 11 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2uwq n ASN 12 N -3.03 7.20 -4.99 4.04 3.02 -1.26 -4.74 115.26 115.50 2uwq n ASN 12 Ca 0.00 -3.50 -0.19 0.00 -0.03 0.00 0.00 54.58 50.87 2uwq n ASN 12 Cb 0.00 -1.02 0.03 0.00 -0.61 0.00 0.00 39.78 38.18 2uwq n ASN 12 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2uwq s ASN 13 N -0.96 5.40 0.00 6.41 3.84 -1.22 -5.04 114.94 123.36 2uwq s ASN 13 Ca 0.51 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 53.11 2uwq s ASN 13 Cb 0.40 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 2uwq s ASN 13 CO -0.03 -1.01 0.27 -0.62 -2.79 0.00 0.00 177.10 172.92 2uwq n GLU 14 N -2.06 2.34 0.00 0.43 1.02 -1.26 -4.69 120.64 116.42 2uwq n GLU 14 Ca 0.10 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2uwq n GLU 14 Cb 0.60 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2uwq n GLN 15 N -0.41 4.46 -3.63 3.49 6.02 -1.26 -4.98 117.38 121.06 2uwq n GLN 15 Ca 0.00 -0.09 -0.37 0.00 -0.01 0.00 0.00 57.00 56.53 2uwq n GLN 15 Cb 0.01 -0.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.63 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2uwq s HIS 16 N -0.66 3.23 0.07 1.08 2.46 -1.26 -5.05 115.29 115.16 2uwq s HIS 16 Ca 0.00 0.10 -0.06 0.00 0.47 0.00 0.00 55.06 55.58 2uwq s HIS 16 Cb 0.00 -2.33 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2uwq s HIS 16 CO 0.00 -0.11 0.10 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.54 0.30 -0.16 3.88 -0.12 -1.26 -1.95 117.98 120.20 2uwq s PHE 17 Ca 0.07 -0.76 -0.02 0.00 -0.05 0.00 0.00 56.93 56.17 2uwq s PHE 17 Cb -0.15 -0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.09 2uwq s PHE 17 CO 0.09 -0.47 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.70 2uwq s THR 18 N -3.80 0.74 0.20 -4.49 -1.32 0.42 -4.87 115.64 102.52 2uwq s THR 18 Ca 0.05 -0.48 -0.05 0.00 -1.21 0.00 0.00 61.69 59.99 2uwq s THR 18 Cb 0.06 -1.06 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 2uwq s THR 18 CO -0.10 0.00 0.45 -1.83 -2.21 0.00 0.00 174.62 170.93 2uwq s GLU 19 N 1.78 3.65 -0.23 7.08 -1.05 -1.26 -0.58 118.70 128.09 2uwq s GLU 19 Ca 0.01 -0.01 -0.21 0.00 -0.15 0.00 0.00 54.97 54.60 2uwq s GLU 19 Cb -0.16 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 30.84 2uwq s GLU 19 CO -0.07 0.37 0.62 0.54 0.95 0.00 0.00 175.26 177.67 2uwq s VAL 20 N -1.81 -0.00 0.13 1.83 0.11 -0.64 -4.96 120.40 115.07 2uwq s VAL 20 Ca 0.43 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.31 2uwq s VAL 20 Cb -0.11 -0.87 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 2uwq s VAL 20 CO 0.25 0.00 0.60 -2.16 -3.33 0.00 0.00 175.10 170.46 2uwq s PRO 21 N 0.47 4.14 0.06 1.54 0.04 -1.26 -1.86 135.00 138.12 2uwq s PRO 21 Ca -0.01 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.52 2uwq s PRO 21 Cb -0.05 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.48 2uwq s PRO 21 CO -0.01 0.53 0.44 0.14 0.04 0.00 0.00 177.00 178.13 2uwq s VAL 22 N -1.33 0.05 0.57 -0.36 -7.23 -0.96 -4.99 120.40 106.16 2uwq s VAL 22 Ca 0.35 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 60.10 2uwq s VAL 22 Cb -0.17 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.82 2uwq s VAL 22 CO 0.20 -0.23 0.81 0.42 -0.31 0.00 0.00 175.10 175.99 2uwq s THR 23 N -2.65 2.73 -0.38 5.32 -4.23 -1.26 -4.13 115.64 111.04 2uwq s THR 23 Ca -0.04 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2uwq s THR 23 Cb -0.00 -3.05 -0.15 0.00 1.34 0.00 0.00 72.50 70.63 2uwq s THR 23 CO -0.04 -0.04 2.63 -0.81 -0.54 0.00 0.00 174.62 175.83 2uwq n PRO 24 N -2.43 1.83 0.00 3.99 -0.04 -1.26 -3.03 135.00 134.06 2uwq n PRO 24 Ca 0.07 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2uwq n PRO 24 Cb 0.60 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2uwq n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2uwq n GLU 25 N 3.08 0.00 -3.06 0.54 2.13 -1.26 -5.03 120.64 117.04 2uwq n GLU 25 Ca 0.39 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.84 2uwq n GLU 25 Cb 0.50 -0.44 -0.06 0.00 0.27 0.00 0.00 31.44 31.70 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2uwq s THR 26 N -1.80 4.51 -0.03 6.31 -4.23 -1.17 -5.00 115.64 114.23 2uwq s THR 26 Ca 0.00 1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2uwq s THR 26 Cb 0.00 -3.92 0.03 0.00 1.34 0.00 0.00 72.50 69.95 2uwq s THR 26 CO 0.00 0.27 0.03 0.27 -0.54 0.00 0.00 174.62 174.64 2uwq s ILE 27 N -1.45 0.02 0.00 2.99 -0.00 -1.26 -3.60 121.20 117.90 2uwq s ILE 27 Ca 0.42 0.21 0.00 0.00 -0.00 0.00 0.00 60.65 61.28 2uwq s ILE 27 Cb -0.18 -0.17 0.00 0.00 -0.00 0.00 0.00 42.46 42.11 2uwq s ILE 27 CO 0.22 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.29 2uwq h ARG 29 N 0.00 0.17 -0.01 0.00 2.47 -1.89 -2.03 114.38 113.09 2uwq h ARG 29 Ca 0.00 -0.29 -0.15 0.00 -1.26 0.00 0.00 59.98 58.27 2uwq h ARG 29 Cb 0.28 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2uwq h ARG 29 CO 0.00 1.14 -0.71 -0.44 0.56 0.00 0.00 179.97 180.52 2uwq h ASP 30 N -0.56 0.07 0.20 7.04 3.32 -1.96 0.20 116.42 124.74 2uwq h ASP 30 Ca -0.22 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2uwq h ASP 30 Cb 1.53 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2uwq h ASP 30 CO 0.02 0.75 -0.10 0.58 -1.72 0.00 0.00 179.24 178.78 2uwq h VAL 31 N 0.04 0.88 -0.01 -1.35 2.07 -1.91 -0.75 116.25 115.23 2uwq h VAL 31 Ca -0.01 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2uwq h VAL 31 Cb 1.25 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2uwq h VAL 31 CO 0.10 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.32 2uwq h VAL 32 N -0.51 1.52 -0.69 2.57 2.07 -1.37 -1.34 116.25 118.50 2uwq h VAL 32 Ca -0.03 -1.60 0.09 0.00 0.82 0.00 0.00 66.70 65.98 2uwq h VAL 32 Cb 0.38 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2uwq h VAL 32 CO 0.05 0.42 0.46 0.44 0.02 0.00 0.00 177.57 178.96 2uwq h ASP 33 N -0.59 0.52 0.48 0.57 3.45 -0.69 0.22 116.42 120.38 2uwq h ASP 33 Ca -0.00 0.01 -0.30 0.00 0.43 0.00 0.00 57.03 57.17 2uwq h ASP 33 Cb 0.72 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 2uwq h ASP 33 CO 0.01 0.32 -1.52 -0.07 -1.57 0.00 0.00 179.24 176.41 2uwq h LEU 34 N 0.58 0.35 -3.84 1.55 3.38 -1.18 -3.34 115.31 112.82 2uwq h LEU 34 Ca 0.32 -0.49 -0.53 0.00 0.09 0.00 0.00 57.88 57.26 2uwq h LEU 34 Cb 0.47 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 40.81 2uwq h LEU 34 CO -0.11 1.41 0.34 0.00 0.09 0.00 0.00 178.44 180.18 2uwq s LYS 36 N -3.58 2.32 0.42 0.00 2.20 0.74 -4.61 119.74 117.24 2uwq s LYS 36 Ca 0.57 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2uwq s LYS 36 Cb 0.47 -2.40 -0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2uwq s LYS 36 CO 0.02 -0.94 0.32 -1.21 -0.36 0.00 0.00 175.35 173.18 2uwq s GLU 37 N -4.92 2.43 0.59 4.03 2.02 -1.26 -4.94 118.70 116.65 2uwq s GLU 37 Ca 0.59 -1.64 0.30 0.00 0.02 0.00 0.00 54.97 54.25 2uwq s GLU 37 Cb -0.10 -2.25 1.35 0.00 0.10 0.00 0.00 34.13 33.23 2uwq s GLU 37 CO 0.41 -0.18 1.71 -1.35 0.02 0.00 0.00 175.26 175.87 2uwq h PRO 38 N 1.15 0.00 -0.10 0.39 0.11 -2.03 -3.35 132.00 128.17 2uwq h PRO 38 Ca -0.42 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.79 2uwq h PRO 38 Cb 1.26 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 2uwq h PRO 38 CO 0.61 0.00 -0.07 0.20 -0.21 0.00 0.00 178.00 178.53 2uwq s GLY 39 N -3.77 -1.79 0.10 -0.55 0.00 -1.26 -5.17 107.32 94.88 2uwq s GLY 39 Ca -0.04 1.08 0.04 0.00 0.00 0.00 0.00 44.72 45.81 2uwq s GLY 39 CO 0.58 4.40 -0.11 1.85 0.00 0.00 0.00 173.10 179.82 2uwq s GLU 40 N 1.50 0.88 0.05 2.90 2.56 -1.26 -5.16 118.70 120.17 2uwq s GLU 40 Ca 0.18 -1.17 0.02 0.00 0.00 0.00 0.00 54.97 54.01 2uwq s GLU 40 Cb 0.09 -0.61 -0.03 0.00 2.00 0.00 0.00 34.13 35.59 2uwq s GLU 40 CO -0.14 0.10 -0.07 0.45 -0.56 0.00 0.00 175.26 175.04 2uwq s SER 41 N -2.43 0.87 -0.16 -1.70 0.15 -1.26 -4.92 113.70 104.26 2uwq s SER 41 Ca 0.06 -0.64 -0.08 0.00 0.70 0.00 0.00 55.95 55.99 2uwq s SER 41 Cb -0.03 0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2uwq s SER 41 CO 0.01 -0.26 0.15 -0.67 1.20 0.00 0.00 173.24 173.67 2uwq n ASP 42 N 1.17 -1.91 -3.97 5.45 2.03 -1.26 -4.92 116.55 113.14 2uwq n ASP 42 Ca -0.21 1.04 -0.09 0.00 0.52 0.00 0.00 54.79 56.05 2uwq n ASP 42 Cb 0.56 -4.27 -0.05 0.00 -0.72 0.00 0.00 41.12 36.64 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 -4.00 0.45 -0.04 0.00 -3.43 -1.24 -4.76 115.29 102.27 2uwq s HIS 44 Ca 0.21 -0.94 -0.03 0.00 -0.80 0.00 0.00 55.06 53.50 2uwq s HIS 44 Cb -0.00 -0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 2uwq s HIS 44 CO 0.07 -0.36 0.12 -1.17 -2.00 0.00 0.00 174.74 171.40 2uwq s LEU 45 N -2.66 4.11 0.15 5.38 2.96 -0.57 -1.96 118.68 126.09 2uwq s LEU 45 Ca 0.03 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 2uwq s LEU 45 Cb 0.05 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2uwq s LEU 45 CO -0.08 0.31 -0.02 0.00 -1.32 0.00 0.00 176.35 175.23 2uwq s ALA 46 N -1.17 3.16 -0.23 5.97 0.00 0.13 0.81 121.76 130.43 2uwq s ALA 46 Ca 0.22 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.86 2uwq s ALA 46 Cb -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2uwq s ALA 46 CO 0.12 0.53 -0.08 -1.83 0.00 0.00 0.00 175.76 174.50 2uwq s GLU 47 N -2.75 1.86 -0.14 0.00 -1.05 0.38 -1.78 118.70 115.22 2uwq s GLU 47 Ca 0.26 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.08 2uwq s GLU 47 Cb -0.10 -2.59 0.02 0.00 -0.44 0.00 0.00 34.13 31.02 2uwq s GLU 47 CO 0.18 -0.54 -0.15 0.08 0.95 0.00 0.00 175.26 175.77 2uwq s VAL 48 N 1.34 1.60 -0.12 1.83 1.01 -0.75 0.37 120.40 125.69 2uwq s VAL 48 Ca -0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2uwq s VAL 48 Cb -0.18 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.78 2uwq s VAL 48 CO -0.07 0.46 0.24 0.86 0.00 0.00 0.00 175.10 176.59 2uwq s TRP 49 N 1.26 -0.36 -1.30 5.22 -0.00 0.26 -1.11 118.94 122.91 2uwq s TRP 49 Ca 0.00 0.88 -0.18 0.00 -0.00 0.00 0.00 56.10 56.80 2uwq s TRP 49 Cb -0.14 -0.09 0.02 0.00 -0.00 0.00 0.00 33.47 33.25 2uwq s TRP 49 CO -0.07 -0.33 0.53 0.00 -0.00 0.00 0.00 176.95 177.08 2uwq n GLY 51 N -2.07 1.65 3.35 0.00 0.00 -1.26 -4.97 105.19 101.89 2uwq n GLY 51 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.32 6.42 -0.15 1.61 0.01 0.21 -5.03 113.70 113.45 2uwq s SER 52 Ca 0.00 -2.02 -0.02 0.00 1.31 0.00 0.00 55.95 55.22 2uwq s SER 52 Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 2uwq s SER 52 CO 0.00 -0.85 -0.08 -0.70 0.41 0.00 0.00 173.24 172.01 2uwq s GLU 53 N 1.52 3.51 0.02 12.44 -6.30 -1.25 0.91 118.70 129.55 2uwq s GLU 53 Ca 0.13 -0.61 -0.09 0.00 -2.50 0.00 0.00 54.97 51.90 2uwq s GLU 53 Cb -0.19 -2.78 0.00 0.00 0.00 0.00 0.00 34.13 31.16 2uwq s GLU 53 CO -0.01 0.19 0.18 1.03 0.02 0.00 0.00 175.26 176.67 2uwq s ARG 54 N 0.44 0.63 -0.12 4.30 0.52 0.16 -4.97 118.95 119.90 2uwq s ARG 54 Ca -0.07 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 2uwq s ARG 54 Cb -0.15 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 2uwq s ARG 54 CO 0.04 -0.17 1.05 -2.14 0.02 0.00 0.00 175.30 174.10 2uwq s PRO 55 N -2.15 4.37 -0.16 3.54 0.02 -1.26 -0.47 135.00 138.90 2uwq s PRO 55 Ca -0.08 1.44 -0.06 0.00 0.02 0.00 0.00 61.00 62.32 2uwq s PRO 55 Cb -0.03 -3.57 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 2uwq s PRO 55 CO -0.02 -0.41 0.03 0.14 -0.33 0.00 0.00 177.00 176.41 2uwq s VAL 56 N 2.34 4.54 0.19 3.83 -7.23 0.24 -4.89 120.40 119.41 2uwq s VAL 56 Ca 0.49 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.23 2uwq s VAL 56 Cb -0.19 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 2uwq s VAL 56 CO 0.16 0.50 0.99 0.00 -0.31 0.00 0.00 175.10 176.44 2uwq s ALA 57 N 0.11 3.32 -0.63 1.32 0.00 -1.26 -1.52 121.76 123.10 2uwq s ALA 57 Ca 0.03 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.78 2uwq s ALA 57 Cb -0.13 -3.27 0.61 0.00 0.00 0.00 0.00 23.12 20.34 2uwq s ALA 57 CO 0.01 0.02 1.37 -0.25 0.00 0.00 0.00 175.76 176.91 2uwq n ASP 58 N 2.01 0.29 -1.75 0.00 8.00 -1.26 -1.45 116.55 122.39 2uwq n ASP 58 Ca 0.00 0.62 0.07 0.00 0.71 0.00 0.00 54.79 56.19 2uwq n ASP 58 Cb 0.47 -0.66 0.37 0.00 -0.02 0.00 0.00 41.12 41.28 2uwq n ASP 58 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2uwq n ASN 59 N -1.87 5.24 -4.72 -2.24 2.85 -1.26 -3.03 115.26 110.24 2uwq n ASN 59 Ca -0.00 -2.79 -0.37 0.00 -0.11 0.00 0.00 54.58 51.32 2uwq n ASN 59 Cb 0.05 -0.66 -0.07 0.00 1.24 0.00 0.00 39.78 40.34 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2uwq s GLU 60 N -2.49 4.25 0.30 1.20 0.41 -0.53 -4.90 118.70 116.93 2uwq s GLU 60 Ca 0.50 0.12 -0.30 0.00 -0.41 0.00 0.00 54.97 54.88 2uwq s GLU 60 Cb 0.37 -3.45 -0.11 0.00 -1.78 0.00 0.00 34.13 29.17 2uwq s GLU 60 CO 0.16 0.19 1.50 1.03 -0.49 0.00 0.00 175.26 177.65 2uwq s ARG 61 N 0.62 4.19 0.00 1.61 0.52 -1.26 -3.48 118.95 121.14 2uwq s ARG 61 Ca 0.17 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.84 2uwq s ARG 61 Cb -0.13 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2uwq s ARG 61 CO 0.05 -0.51 0.39 -0.12 0.02 0.00 0.00 175.30 175.13 2uwq n MET 62 N 1.79 0.00 -0.28 3.54 1.56 -1.24 0.62 117.12 123.12 2uwq n MET 62 Ca 0.06 0.39 0.15 0.00 -0.27 0.00 0.00 57.70 58.03 2uwq n MET 62 Cb 0.39 -0.76 0.42 0.00 2.15 0.00 0.00 33.22 35.42 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 0.76 -0.89 1.12 0.04 -1.91 0.75 116.94 116.81 2uwq h PHE 63 Ca 0.00 0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.96 2uwq h PHE 63 Cb 0.00 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 37.81 2uwq h PHE 63 CO -0.06 0.22 0.47 -0.44 -0.60 0.00 0.00 178.31 177.90 2uwq h ASP 64 N 0.59 0.56 0.95 2.17 3.32 -0.16 0.93 116.42 124.78 2uwq h ASP 64 Ca 0.49 0.10 -0.20 0.00 0.02 0.00 0.00 57.03 57.44 2uwq h ASP 64 Cb 0.94 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2uwq h ASP 64 CO -0.23 0.20 -0.96 0.58 -1.72 0.00 0.00 179.24 177.11 2uwq h VAL 65 N 0.62 1.69 -0.01 -1.35 2.07 0.17 -3.19 116.25 116.24 2uwq h VAL 65 Ca 0.51 -3.28 0.00 0.00 0.82 0.00 0.00 66.70 64.75 2uwq h VAL 65 Cb 0.78 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2uwq h VAL 65 CO -0.39 0.94 0.00 0.18 0.02 0.00 0.00 177.57 178.31 2uwq n LEU 66 N -3.40 0.41 -0.03 2.57 4.77 0.15 -3.40 117.00 118.06 2uwq n LEU 66 Ca -0.00 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.86 2uwq n LEU 66 Cb 0.91 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.84 2uwq n LEU 66 CO 0.47 0.07 -0.80 1.67 -1.33 0.00 0.00 177.39 177.46 2uwq n GLN 67 N -0.66 0.66 0.10 3.23 7.27 0.27 -4.28 117.38 123.98 2uwq n GLN 67 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 57.00 57.18 2uwq n GLN 67 Cb 0.17 -1.57 0.05 0.00 2.41 0.00 0.00 30.24 31.30 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2uwq h ARG 68 N 0.00 0.01 -0.17 3.69 -0.00 -1.66 -3.08 114.38 113.17 2uwq h ARG 68 Ca -0.21 -0.01 0.05 0.00 -0.00 0.00 0.00 59.98 59.81 2uwq h ARG 68 Cb 1.50 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.47 2uwq h ARG 68 CO 0.02 0.78 0.14 0.74 -0.00 0.00 0.00 179.97 181.64 2uwq h PHE 69 N 0.00 0.00 0.00 4.08 0.04 -1.75 -3.48 116.94 115.84 2uwq h PHE 69 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2uwq h PHE 69 Cb 1.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.52 2uwq h PHE 69 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2uwq n GLY 70 N -1.51 0.07 0.09 -1.45 0.00 -1.17 -4.64 105.19 96.59 2uwq n GLY 70 Ca 0.01 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.42 2uwq n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2uwq n SER 71 N 0.00 0.80 -4.45 1.61 7.64 -1.26 -4.65 113.62 113.31 2uwq n SER 71 Ca 0.00 0.35 -0.44 0.00 1.01 0.00 0.00 58.87 59.79 2uwq n SER 71 Cb 0.00 0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2uwq n SER 71 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2uwq s GLN 72 N -2.98 3.72 0.22 1.43 2.00 -1.26 -4.78 119.66 117.99 2uwq s GLN 72 Ca -0.03 -1.96 0.17 0.00 -2.00 0.00 0.00 55.36 51.54 2uwq s GLN 72 Cb 0.09 -4.95 0.02 0.00 0.80 0.00 0.00 33.01 28.97 2uwq s GLN 72 CO 0.81 -1.77 1.22 0.07 -0.50 0.00 0.00 175.29 175.12 2uwq h ARG 73 N 8.43 0.00 -0.65 1.67 -0.00 -1.83 -3.26 114.38 118.74 2uwq h ARG 73 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.17 2uwq h ARG 73 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.96 2uwq h ARG 73 CO 1.14 0.33 0.00 0.09 -0.00 0.00 0.00 179.97 181.53 2uwq n ASN 74 N -3.05 3.59 -0.00 0.08 4.13 -1.26 -3.74 115.26 115.01 2uwq n ASN 74 Ca -0.02 -2.42 0.05 0.00 1.68 0.00 0.00 54.58 53.87 2uwq n ASN 74 Cb 0.73 -0.53 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 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 0.55 3.62 -3.38 3.52 4.07 -1.23 -5.01 120.64 122.78 2uwq n GLU 75 Ca 0.17 -0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 57.02 2uwq n GLU 75 Cb 0.72 -0.98 -0.02 0.00 -0.06 0.00 0.00 31.44 31.10 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 -1.97 5.09 0.02 6.31 0.11 -1.25 -4.22 120.40 124.50 2uwq s VAL 76 Ca 0.04 -0.31 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2uwq s VAL 76 Cb 0.08 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 2uwq s VAL 76 CO 0.42 -0.47 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.42 2uwq s ARG 77 N -4.04 1.18 -0.09 1.54 3.00 -0.27 -4.88 118.95 115.39 2uwq s ARG 77 Ca 0.41 -0.71 0.01 0.00 0.00 0.00 0.00 55.73 55.43 2uwq s ARG 77 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 34.95 33.63 2uwq s ARG 77 CO 0.34 0.31 -0.09 -0.06 0.00 0.00 0.00 175.30 175.80 2uwq s PHE 78 N -0.63 2.88 -0.03 -0.53 0.08 -0.37 -1.80 117.98 117.57 2uwq s PHE 78 Ca 0.05 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 2uwq s PHE 78 Cb -0.07 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2uwq s PHE 78 CO 0.01 0.15 0.09 -0.06 -0.10 0.00 0.00 175.22 175.30 2uwq s PHE 79 N -0.41 -0.10 -0.13 0.36 0.40 -0.73 0.13 117.98 117.49 2uwq s PHE 79 Ca 0.06 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.46 2uwq s PHE 79 Cb -0.12 0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.38 2uwq s PHE 79 CO 0.02 -0.05 0.44 -1.17 0.70 0.00 0.00 175.22 175.16 2uwq s LEU 80 N 0.14 4.26 -0.30 -0.37 2.96 -0.91 0.23 118.68 124.68 2uwq s LEU 80 Ca -0.01 0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2uwq s LEU 80 Cb -0.02 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 44.05 2uwq s LEU 80 CO -0.00 0.01 0.11 -0.13 -1.32 0.00 0.00 176.35 175.01 2uwq s ARG 81 N 0.67 3.23 -0.22 1.98 0.52 -0.83 -4.65 118.95 119.65 2uwq s ARG 81 Ca 0.24 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 2uwq s ARG 81 Cb -0.15 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 2uwq s ARG 81 CO 0.09 -0.41 0.03 -1.01 0.02 0.00 0.00 175.30 174.01 2uwq s HIS 82 N 1.55 3.05 -2.08 -0.53 3.76 -1.26 -3.72 115.29 116.06 2uwq s HIS 82 Ca 0.04 -0.49 0.31 0.00 -0.15 0.00 0.00 55.06 54.77 2uwq s HIS 82 Cb -0.17 -2.15 1.77 0.00 1.11 0.00 0.00 32.58 33.14 2uwq s HIS 82 CO 0.04 -0.32 2.15 0.39 -0.85 0.00 0.00 174.74 176.15