#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 -1.65 3.14 -0.02 0.00 -1.26 -5.15 105.19 100.25 2uwq n GLY -1 Ca 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 2uwq n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwq s SER 0 N -0.04 0.02 0.98 1.61 0.15 -1.26 -5.16 113.70 110.00 2uwq s SER 0 Ca 0.00 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 2uwq s SER 0 Cb 0.00 0.24 0.19 0.00 -1.71 0.00 0.00 66.02 64.73 2uwq s SER 0 CO 0.00 -0.43 1.12 -0.32 1.20 0.00 0.00 173.24 174.81 2uwq s MET 1 N -1.74 0.46 0.20 5.44 0.00 -1.26 -4.98 119.30 117.42 2uwq s MET 1 Ca -0.12 1.39 -0.23 0.00 0.00 0.00 0.00 55.69 56.74 2uwq s MET 1 Cb -0.05 -1.67 -0.08 0.00 0.00 0.00 0.00 34.83 33.02 2uwq s MET 1 CO 0.00 -2.96 0.77 -1.64 0.00 0.00 0.00 175.02 171.19 2uwq s MET 2 N -4.58 4.43 0.56 4.11 -1.94 -1.26 -5.06 119.30 115.56 2uwq s MET 2 Ca 0.67 1.05 -0.17 0.00 -1.71 0.00 0.00 55.69 55.53 2uwq s MET 2 Cb -0.24 -3.06 -0.05 0.00 2.01 0.00 0.00 34.83 33.49 2uwq s MET 2 CO 0.60 0.47 1.04 -1.25 -0.01 0.00 0.00 175.02 175.88 2uwq s PRO 3 N -1.57 3.50 0.00 2.03 0.04 -1.26 -5.06 135.00 132.68 2uwq s PRO 3 Ca 0.40 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2uwq s PRO 3 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2uwq s PRO 3 CO 0.24 -0.66 0.00 -1.33 0.04 0.00 0.00 177.00 175.29 2uwq n MET 4 N -1.72 0.00 -4.21 4.56 2.81 -1.26 -5.09 117.12 112.21 2uwq n MET 4 Ca 0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.83 2uwq n MET 4 Cb 0.53 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 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 -4.91 1.32 -0.05 2.03 -0.12 -1.26 -1.99 117.98 112.99 2uwq s PHE 5 Ca 0.00 -1.43 0.00 0.00 -0.05 0.00 0.00 56.93 55.45 2uwq s PHE 5 Cb 0.00 -0.52 0.02 0.00 -0.63 0.00 0.00 43.02 41.89 2uwq s PHE 5 CO 0.00 -0.80 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.17 2uwq s LEU 6 N -3.24 1.14 -0.42 -1.99 0.20 -0.72 -4.91 118.68 108.75 2uwq s LEU 6 Ca 0.38 -0.11 -0.17 0.00 0.69 0.00 0.00 54.13 54.92 2uwq s LEU 6 Cb 0.04 -0.43 0.02 0.00 -0.43 0.00 0.00 46.19 45.39 2uwq s LEU 6 CO 0.18 -0.09 0.40 -0.89 -0.29 0.00 0.00 176.35 175.66 2uwq s THR 7 N 1.19 5.14 0.38 3.68 2.01 -1.26 -1.42 115.64 125.35 2uwq s THR 7 Ca -0.07 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 2uwq s THR 7 Cb -0.14 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2uwq s THR 7 CO -0.02 -0.39 0.66 -0.69 -0.69 0.00 0.00 174.62 173.49 2uwq s VAL 8 N 2.00 4.96 -0.19 3.82 1.01 0.48 -1.32 120.40 131.16 2uwq s VAL 8 Ca 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2uwq s VAL 8 Cb -0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2uwq s VAL 8 CO 0.13 -0.56 -0.02 -0.31 0.00 0.00 0.00 175.10 174.34 2uwq s TYR 9 N -2.38 3.01 0.02 5.22 4.12 0.38 0.18 117.35 127.91 2uwq s TYR 9 Ca 0.46 -0.52 -0.20 0.00 0.02 0.00 0.00 57.07 56.82 2uwq s TYR 9 Cb -0.10 -2.06 -0.06 0.00 -1.52 0.00 0.00 41.96 38.22 2uwq s TYR 9 CO 0.36 -0.26 0.58 -0.51 0.02 0.00 0.00 175.55 175.73 2uwq s LEU 10 N 0.96 4.45 0.00 -1.29 1.43 0.36 -2.05 118.68 122.54 2uwq s LEU 10 Ca 0.01 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2uwq s LEU 10 Cb -0.14 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.18 2uwq s LEU 10 CO 0.01 0.16 0.00 -0.24 0.23 0.00 0.00 176.35 176.52 2uwq n SER 11 N 2.40 -4.22 -2.10 2.29 2.88 -1.26 -3.52 113.62 110.09 2uwq n SER 11 Ca -0.08 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.21 2uwq n SER 11 Cb 0.51 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 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 -3.03 5.96 -4.66 -3.46 5.15 -1.26 -4.82 115.26 109.14 2uwq n ASN 12 Ca 0.00 -3.43 -0.34 0.00 -0.60 0.00 0.00 54.58 50.21 2uwq n ASN 12 Cb 0.00 -0.93 -0.10 0.00 -0.53 0.00 0.00 39.78 38.23 2uwq n ASN 12 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2uwq s ASN 13 N -0.97 5.08 0.00 1.20 0.02 -1.23 -5.00 114.94 114.04 2uwq s ASN 13 Ca 0.50 0.05 0.12 0.00 -1.02 0.00 0.00 52.86 52.51 2uwq s ASN 13 Cb 0.40 -1.36 0.37 0.00 0.02 0.00 0.00 41.25 40.68 2uwq s ASN 13 CO 0.03 0.34 1.30 -0.62 0.02 0.00 0.00 177.10 178.16 2uwq n GLU 14 N 1.87 1.83 0.00 -0.60 4.71 -1.26 -3.80 120.64 123.39 2uwq n GLU 14 Ca -0.17 -1.29 0.00 0.00 -0.01 0.00 0.00 57.16 55.69 2uwq n GLU 14 Cb 0.53 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 2uwq n GLU 14 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2uwq n GLN 15 N 0.54 4.24 -3.63 3.49 0.00 -1.26 -4.99 117.38 115.77 2uwq n GLN 15 Ca 0.13 -0.02 -0.37 0.00 -0.00 0.00 0.00 57.00 56.73 2uwq n GLN 15 Cb 0.31 -0.36 -0.11 0.00 0.00 0.00 0.00 30.24 30.08 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2uwq s HIS 16 N -0.61 3.24 0.07 3.69 2.46 -1.25 -5.05 115.29 117.84 2uwq s HIS 16 Ca 0.00 0.11 -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 0.00 174.74 171.67 2uwq s PHE 17 N 1.55 0.30 -0.14 3.88 -0.71 -1.26 -0.49 117.98 121.12 2uwq s PHE 17 Ca 0.07 -0.78 -0.03 0.00 -1.04 0.00 0.00 56.93 55.15 2uwq s PHE 17 Cb -0.15 -0.20 0.05 0.00 -1.21 0.00 0.00 43.02 41.51 2uwq s PHE 17 CO 0.09 -0.47 0.05 -0.08 -1.34 0.00 0.00 175.22 173.46 2uwq s THR 18 N -3.86 0.23 0.09 -4.49 -1.32 0.49 -4.82 115.64 101.96 2uwq s THR 18 Ca 0.06 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 2uwq s THR 18 Cb 0.06 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 2uwq s THR 18 CO -0.10 -0.08 0.20 -1.83 -2.21 0.00 0.00 174.62 170.60 2uwq s GLU 19 N 2.00 3.31 -0.09 7.08 -1.05 -1.26 -0.39 118.70 128.31 2uwq s GLU 19 Ca 0.02 -0.55 -0.08 0.00 -0.15 0.00 0.00 54.97 54.21 2uwq s GLU 19 Cb -0.15 -2.94 0.02 0.00 -0.44 0.00 0.00 34.13 30.62 2uwq s GLU 19 CO -0.07 0.57 0.23 0.08 0.95 0.00 0.00 175.26 177.02 2uwq s VAL 20 N -1.56 -0.00 -0.46 1.83 1.01 -0.51 -4.96 120.40 115.75 2uwq s VAL 20 Ca 0.34 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2uwq s VAL 20 Cb -0.12 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2uwq s VAL 20 CO 0.27 0.01 1.33 -2.16 0.00 0.00 0.00 175.10 174.54 2uwq s PRO 21 N 0.22 3.58 0.07 2.72 0.04 -1.26 -1.75 135.00 138.62 2uwq s PRO 21 Ca -0.01 0.74 0.09 0.00 0.04 0.00 0.00 61.00 61.86 2uwq s PRO 21 Cb -0.02 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 2uwq s PRO 21 CO -0.00 -1.57 -0.23 0.54 0.04 0.00 0.00 177.00 175.77 2uwq s VAL 22 N 5.23 1.90 0.40 -0.36 0.11 -0.84 -4.97 120.40 121.86 2uwq s VAL 22 Ca 0.56 -1.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.26 2uwq s VAL 22 Cb -0.11 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 2uwq s VAL 22 CO 0.31 0.16 0.46 0.42 -3.33 0.00 0.00 175.10 173.13 2uwq s THR 23 N -0.93 3.00 -0.78 5.04 -4.23 -1.26 -4.02 115.64 112.46 2uwq s THR 23 Ca 0.09 -1.17 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2uwq s THR 23 Cb -0.10 -3.05 -0.10 0.00 1.34 0.00 0.00 72.50 70.59 2uwq s THR 23 CO 0.03 -0.03 1.95 -0.81 -0.54 0.00 0.00 174.62 175.23 2uwq n PRO 24 N -1.67 1.67 0.00 3.99 -0.04 -1.26 -3.08 135.00 134.62 2uwq n PRO 24 Ca 0.05 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2uwq n PRO 24 Cb 0.60 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 5.49 0.00 -3.30 0.54 2.13 -1.26 -5.07 120.64 119.17 2uwq n GLU 25 Ca 0.44 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.92 2uwq n GLU 25 Cb 0.24 -0.07 -0.06 0.00 0.27 0.00 0.00 31.44 31.83 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 -1.83 4.81 -0.03 6.31 -4.23 -1.18 -4.99 115.64 114.50 2uwq s THR 26 Ca 0.00 0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2uwq s THR 26 Cb 0.00 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.17 2uwq s THR 26 CO 0.00 0.09 0.02 0.27 -0.54 0.00 0.00 174.62 174.46 2uwq s ILE 27 N -1.64 0.03 0.00 2.99 -0.00 -1.26 -3.64 121.20 117.68 2uwq s ILE 27 Ca 0.44 0.20 0.00 0.00 -0.00 0.00 0.00 60.65 61.28 2uwq s ILE 27 Cb -0.14 -0.18 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.20 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.27 2uwq h ARG 29 N 0.00 0.20 -0.02 0.00 3.08 -1.90 -2.22 114.38 113.53 2uwq h ARG 29 Ca 0.00 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.57 2uwq h ARG 29 Cb 0.27 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2uwq h ARG 29 CO 0.00 1.16 -0.65 -0.44 -1.07 0.00 0.00 179.97 178.97 2uwq h ASP 30 N -0.43 0.08 0.17 7.04 3.32 -1.96 0.14 116.42 124.78 2uwq h ASP 30 Ca -0.29 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 2uwq h ASP 30 Cb 1.65 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.18 2uwq h ASP 30 CO 0.02 0.71 -0.08 0.58 -1.72 0.00 0.00 179.24 178.75 2uwq h VAL 31 N 0.05 0.96 -0.09 -1.35 2.07 -1.91 -1.71 116.25 114.27 2uwq h VAL 31 Ca -0.01 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 2uwq h VAL 31 Cb 1.16 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2uwq h VAL 31 CO 0.09 0.17 -0.42 0.58 0.02 0.00 0.00 177.57 178.01 2uwq h VAL 32 N -0.60 1.39 -0.56 2.57 2.07 -1.42 -1.29 116.25 118.41 2uwq h VAL 32 Ca -0.02 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 65.76 2uwq h VAL 32 Cb 0.45 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 2uwq h VAL 32 CO 0.04 0.52 0.30 0.44 0.02 0.00 0.00 177.57 178.89 2uwq h ASP 33 N 0.00 0.45 0.57 0.57 3.32 -0.81 0.11 116.42 120.63 2uwq h ASP 33 Ca -0.03 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 2uwq h ASP 33 Cb 1.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2uwq h ASP 33 CO 0.09 0.31 -1.18 -0.07 -1.72 0.00 0.00 179.24 176.67 2uwq h LEU 34 N 0.58 0.45 -3.91 1.55 3.38 -1.38 -3.31 115.31 112.66 2uwq h LEU 34 Ca 0.24 -0.45 -0.62 0.00 0.09 0.00 0.00 57.88 57.14 2uwq h LEU 34 Cb 0.12 -0.14 -0.32 0.00 0.09 0.00 0.00 40.66 40.41 2uwq h LEU 34 CO -0.15 1.32 0.42 0.00 0.09 0.00 0.00 178.44 180.13 2uwq n LYS 36 N -0.89 -0.32 -4.22 0.00 4.81 0.37 -4.82 118.16 113.08 2uwq n LYS 36 Ca 0.57 -2.55 -0.13 0.00 -0.87 0.00 0.00 58.31 55.34 2uwq n LYS 36 Cb 0.81 -0.78 -0.10 0.00 0.02 0.00 0.00 35.03 34.97 2uwq n LYS 36 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2uwq s GLU 37 N -5.21 1.07 -0.91 1.64 2.02 -1.26 -4.98 118.70 111.07 2uwq s GLU 37 Ca 0.67 -1.52 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 2uwq s GLU 37 Cb -0.03 -0.14 -0.19 0.00 0.10 0.00 0.00 34.13 33.87 2uwq s GLU 37 CO 0.45 -0.17 2.22 -0.35 0.02 0.00 0.00 175.26 177.43 2uwq n PRO 38 N -0.21 0.30 -0.86 0.39 -0.04 -1.26 -2.93 135.00 130.40 2uwq n PRO 38 Ca -0.06 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 2uwq n PRO 38 Cb 0.63 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 6.38 0.38 3.54 0.55 0.00 -1.26 -5.10 105.19 109.68 2uwq n GLY 39 Ca 0.43 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2uwq n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uwq s GLU 40 N -2.57 2.74 -0.02 1.61 0.41 -1.15 -5.12 118.70 114.60 2uwq s GLU 40 Ca 0.00 -0.59 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2uwq s GLU 40 Cb 0.00 -2.55 0.01 0.00 -1.78 0.00 0.00 34.13 29.81 2uwq s GLU 40 CO 0.00 0.62 -0.03 0.45 -0.49 0.00 0.00 175.26 175.82 2uwq s SER 41 N -0.70 0.48 -0.18 -0.19 0.15 -1.26 -4.98 113.70 107.02 2uwq s SER 41 Ca 0.11 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 2uwq s SER 41 Cb -0.11 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.10 2uwq s SER 41 CO 0.01 -0.01 0.25 0.47 1.20 0.00 0.00 173.24 175.16 2uwq n ASP 42 N 3.47 -0.29 -3.73 5.45 8.00 -1.26 -4.88 116.55 123.31 2uwq n ASP 42 Ca -0.19 1.29 -0.13 0.00 0.71 0.00 0.00 54.79 56.48 2uwq n ASP 42 Cb 0.55 -5.10 -0.08 0.00 -0.02 0.00 0.00 41.12 36.47 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwq s HIS 44 N -1.96 1.95 0.04 0.00 -3.43 -1.23 -4.72 115.29 105.94 2uwq s HIS 44 Ca -0.09 -0.46 0.01 0.00 -0.80 0.00 0.00 55.06 53.72 2uwq s HIS 44 Cb -0.03 -0.90 -0.04 0.00 -1.43 0.00 0.00 32.58 30.18 2uwq s HIS 44 CO 0.01 0.47 0.12 -1.17 -2.00 0.00 0.00 174.74 172.17 2uwq s LEU 45 N -3.17 4.03 0.16 5.38 2.96 -0.57 -1.73 118.68 125.74 2uwq s LEU 45 Ca 0.23 0.15 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2uwq s LEU 45 Cb -0.04 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2uwq s LEU 45 CO 0.09 0.22 -0.07 0.00 -1.32 0.00 0.00 176.35 175.26 2uwq s ALA 46 N -1.34 3.01 -0.17 5.97 0.00 0.49 0.76 121.76 130.47 2uwq s ALA 46 Ca 0.28 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2uwq s ALA 46 Cb -0.12 -0.83 0.06 0.00 0.00 0.00 0.00 23.12 22.22 2uwq s ALA 46 CO 0.20 0.52 0.04 -1.83 0.00 0.00 0.00 175.76 174.69 2uwq s GLU 47 N -2.69 0.53 -0.08 0.00 -1.05 0.91 -1.67 118.70 114.65 2uwq s GLU 47 Ca 0.25 -0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.81 2uwq s GLU 47 Cb -0.09 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.70 2uwq s GLU 47 CO 0.16 -0.60 -0.18 0.08 0.95 0.00 0.00 175.26 175.67 2uwq s VAL 48 N 1.93 1.58 -0.09 1.83 1.01 -0.69 0.23 120.40 126.19 2uwq s VAL 48 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2uwq s VAL 48 Cb -0.16 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.86 2uwq s VAL 48 CO -0.08 0.45 0.22 -1.66 0.00 0.00 0.00 175.10 174.03 2uwq s TRP 49 N 0.53 -0.28 -1.31 5.22 -2.14 0.02 -0.77 118.94 120.22 2uwq s TRP 49 Ca -0.16 0.69 -0.03 0.00 2.66 0.00 0.00 56.10 59.25 2uwq s TRP 49 Cb -0.17 0.02 0.02 0.00 -3.10 0.00 0.00 33.47 30.25 2uwq s TRP 49 CO 0.06 -0.20 0.24 0.00 -2.66 0.00 0.00 176.95 174.39 2uwq n GLY 51 N -1.06 2.74 3.55 0.00 0.00 -1.26 -4.99 105.19 104.16 2uwq n GLY 51 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2uwq n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwq s SER 52 N -1.44 6.30 -0.13 1.61 0.15 0.11 -4.99 113.70 115.32 2uwq s SER 52 Ca 0.00 -0.90 -0.15 0.00 0.70 0.00 0.00 55.95 55.60 2uwq s SER 52 Cb 0.00 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 2uwq s SER 52 CO 0.00 -1.68 0.34 -1.83 1.20 0.00 0.00 173.24 171.27 2uwq s GLU 53 N 5.30 4.21 -0.00 5.44 -1.05 -1.26 -0.80 118.70 130.54 2uwq s GLU 53 Ca 0.39 0.20 -0.05 0.00 -0.15 0.00 0.00 54.97 55.35 2uwq s GLU 53 Cb -0.05 -3.40 -0.00 0.00 -0.44 0.00 0.00 34.13 30.24 2uwq s GLU 53 CO 0.04 0.29 0.10 1.03 0.95 0.00 0.00 175.26 177.68 2uwq s ARG 54 N 0.29 0.39 -0.20 -4.83 1.81 0.14 -4.96 118.95 111.59 2uwq s ARG 54 Ca 0.19 -0.34 -0.26 0.00 -1.72 0.00 0.00 55.73 53.60 2uwq s ARG 54 Cb -0.14 0.16 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 2uwq s ARG 54 CO 0.06 -0.09 0.88 -1.25 -0.68 0.00 0.00 175.30 174.23 2uwq s PRO 55 N -1.15 4.26 -0.17 3.54 0.04 -1.26 -0.06 135.00 140.19 2uwq s PRO 55 Ca -0.12 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 2uwq s PRO 55 Cb -0.07 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 2uwq s PRO 55 CO 0.01 -0.45 0.12 0.14 0.04 0.00 0.00 177.00 176.85 2uwq s VAL 56 N 2.59 5.30 0.28 -0.36 -7.23 0.23 -4.89 120.40 116.32 2uwq s VAL 56 Ca 0.39 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 2uwq s VAL 56 Cb -0.16 -3.38 -0.09 0.00 0.56 0.00 0.00 36.38 33.31 2uwq s VAL 56 CO 0.10 0.49 0.98 0.00 -0.31 0.00 0.00 175.10 176.36 2uwq s ALA 57 N -0.02 3.30 -0.36 1.32 0.00 -1.26 -1.51 121.76 123.22 2uwq s ALA 57 Ca 0.09 0.65 0.17 0.00 0.00 0.00 0.00 51.96 52.88 2uwq s ALA 57 Cb -0.11 -3.23 0.94 0.00 0.00 0.00 0.00 23.12 20.72 2uwq s ALA 57 CO -0.00 0.10 1.53 -0.25 0.00 0.00 0.00 175.76 177.15 2uwq n ASP 58 N 1.10 0.45 -1.77 0.00 8.00 -1.26 -1.28 116.55 121.80 2uwq n ASP 58 Ca -0.00 0.71 0.04 0.00 0.71 0.00 0.00 54.79 56.25 2uwq n ASP 58 Cb 0.47 -0.77 0.34 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.11 5.09 -4.75 -2.24 2.85 -1.26 -2.87 115.26 109.97 2uwq n ASN 59 Ca -0.01 -2.87 -0.36 0.00 -0.11 0.00 0.00 54.58 51.23 2uwq n ASN 59 Cb 0.03 -0.68 -0.07 0.00 1.24 0.00 0.00 39.78 40.30 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 -2.59 4.11 0.45 1.20 0.41 -0.40 -4.89 118.70 117.00 2uwq s GLU 60 Ca 0.48 -0.01 -0.22 0.00 -0.41 0.00 0.00 54.97 54.81 2uwq s GLU 60 Cb 0.37 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 29.26 2uwq s GLU 60 CO 0.14 0.35 1.09 1.03 -0.49 0.00 0.00 175.26 177.38 2uwq s ARG 61 N 0.15 3.87 0.00 1.61 3.00 -1.26 -3.06 118.95 123.26 2uwq s ARG 61 Ca 0.14 1.56 0.00 0.00 0.00 0.00 0.00 55.73 57.43 2uwq s ARG 61 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 34.95 32.49 2uwq s ARG 61 CO 0.03 -0.41 0.35 -0.12 0.00 0.00 0.00 175.30 175.15 2uwq n MET 62 N -0.54 0.00 -0.05 3.54 0.00 -1.24 0.65 117.12 119.49 2uwq n MET 62 Ca 0.07 0.35 0.14 0.00 -0.00 0.00 0.00 57.70 58.27 2uwq n MET 62 Cb 0.50 -0.69 0.56 0.00 0.00 0.00 0.00 33.22 33.59 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 0.30 -0.96 1.12 0.04 -1.90 -0.74 116.94 114.79 2uwq h PHE 63 Ca 0.00 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.91 2uwq h PHE 63 Cb 0.00 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 37.97 2uwq h PHE 63 CO -0.03 0.13 0.58 0.22 -0.60 0.00 0.00 178.31 178.62 2uwq h ASP 64 N 0.27 0.83 1.02 2.17 1.82 -0.13 0.53 116.42 122.93 2uwq h ASP 64 Ca 0.27 0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.82 2uwq h ASP 64 Cb 0.68 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2uwq h ASP 64 CO -0.06 0.42 -0.68 0.58 -1.61 0.00 0.00 179.24 177.89 2uwq h VAL 65 N 0.89 1.28 0.00 2.25 2.07 0.11 -3.03 116.25 119.83 2uwq h VAL 65 Ca 0.49 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2uwq h VAL 65 Cb 0.54 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2uwq h VAL 65 CO -0.29 0.66 0.00 -0.11 0.02 0.00 0.00 177.57 177.85 2uwq n LEU 66 N -3.44 0.32 -0.01 2.57 7.94 0.13 -3.04 117.00 121.46 2uwq n LEU 66 Ca 0.00 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.57 2uwq n LEU 66 Cb 0.74 -0.45 0.39 0.00 0.53 0.00 0.00 43.42 44.63 2uwq n LEU 66 CO 0.42 -0.14 0.65 0.00 -1.11 0.00 0.00 177.39 177.21 2uwq n GLN 67 N -1.81 0.06 -0.02 1.96 6.02 0.14 -3.86 117.38 119.87 2uwq n GLN 67 Ca 0.06 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.93 2uwq n GLN 67 Cb 0.34 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.96 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 0.07 0.00 0.72 -1.09 0.11 -1.67 -3.39 114.38 109.13 2uwq h ARG 68 Ca 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2uwq h ARG 68 Cb 0.49 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.58 2uwq h ARG 68 CO 0.00 0.52 -0.35 0.74 0.10 0.00 0.00 179.97 180.98 2uwq h PHE 69 N 0.00 -0.90 0.00 4.08 -1.00 -1.70 -3.50 116.94 113.92 2uwq h PHE 69 Ca -0.27 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.49 2uwq h PHE 69 Cb 2.00 0.30 0.00 0.00 3.61 0.00 0.00 35.95 41.86 2uwq h PHE 69 CO 0.00 -0.56 0.00 0.41 -1.61 0.00 0.00 178.31 176.55 2uwq n GLY 70 N -1.40 -0.37 0.07 -1.45 0.00 -1.26 -4.97 105.19 95.80 2uwq n GLY 70 Ca -0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.70 1.61 0.02 -1.95 -3.42 113.55 109.11 2uwq h SER 71 Ca 0.00 -0.42 -0.28 0.00 -0.84 0.00 0.00 61.79 60.25 2uwq h SER 71 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2uwq h SER 71 CO 0.00 0.91 0.72 -1.10 -1.14 0.00 0.00 176.83 176.22 2uwq s GLN 72 N -2.06 2.52 0.14 3.45 -0.21 -1.26 -4.74 119.66 117.49 2uwq s GLN 72 Ca -0.15 -0.29 0.06 0.00 0.02 0.00 0.00 55.36 55.01 2uwq s GLN 72 Cb 0.01 -5.06 -0.14 0.00 1.00 0.00 0.00 33.01 28.82 2uwq s GLN 72 CO 0.38 -3.43 1.31 0.07 -2.12 0.00 0.00 175.29 171.50 2uwq h ARG 73 N 11.29 0.03 -1.45 2.91 -0.00 -1.84 -3.29 114.38 122.02 2uwq h ARG 73 Ca 0.10 -0.04 -0.58 0.00 -0.00 0.00 0.00 59.98 59.46 2uwq h ARG 73 Cb 1.00 0.02 -0.23 0.00 -0.00 0.00 0.00 29.97 30.76 2uwq h ARG 73 CO 1.20 0.97 0.73 -1.71 -0.00 0.00 0.00 179.97 181.16 2uwq n ASN 74 N -3.43 7.19 0.00 0.08 5.15 -1.26 -4.02 115.26 118.97 2uwq n ASN 74 Ca -0.01 -3.53 0.00 0.00 -0.60 0.00 0.00 54.58 50.44 2uwq n ASN 74 Cb 0.90 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2uwq n GLU 75 N -0.27 -0.20 -2.97 1.20 4.07 -1.24 -5.09 120.64 116.14 2uwq n GLU 75 Ca 0.51 -0.27 -0.22 0.00 -0.06 0.00 0.00 57.16 57.11 2uwq n GLU 75 Cb 0.55 -0.69 0.01 0.00 -0.06 0.00 0.00 31.44 31.25 2uwq n GLU 75 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2uwq s VAL 76 N -0.05 3.77 -0.05 6.31 -7.23 -1.26 -4.30 120.40 117.60 2uwq s VAL 76 Ca 0.00 -0.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 2uwq s VAL 76 Cb 0.00 -3.39 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 2uwq s VAL 76 CO 0.00 -0.26 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.22 2uwq s ARG 77 N -4.55 1.91 -0.09 4.82 3.00 0.05 -4.91 118.95 119.17 2uwq s ARG 77 Ca 0.50 -0.65 -0.02 0.00 0.00 0.00 0.00 55.73 55.56 2uwq s ARG 77 Cb -0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 34.95 33.18 2uwq s ARG 77 CO 0.37 0.25 -0.00 -0.06 0.00 0.00 0.00 175.30 175.86 2uwq s PHE 78 N 0.04 3.14 -0.01 -0.53 0.08 -0.43 -1.71 117.98 118.56 2uwq s PHE 78 Ca -0.04 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 2uwq s PHE 78 Cb -0.12 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2uwq s PHE 78 CO 0.03 0.41 0.06 -0.06 -0.10 0.00 0.00 175.22 175.55 2uwq s PHE 79 N -0.72 0.03 -0.24 0.36 0.08 -0.67 0.14 117.98 116.96 2uwq s PHE 79 Ca 0.11 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.93 2uwq s PHE 79 Cb -0.12 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 2uwq s PHE 79 CO 0.02 -0.13 0.50 -1.17 -0.10 0.00 0.00 175.22 174.34 2uwq s LEU 80 N -0.65 4.08 -0.31 -0.37 1.98 -0.87 -0.38 118.68 122.16 2uwq s LEU 80 Ca -0.07 0.54 -0.13 0.00 -2.89 0.00 0.00 54.13 51.58 2uwq s LEU 80 Cb -0.04 -2.65 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 2uwq s LEU 80 CO 0.00 -0.24 0.27 -0.13 -1.89 0.00 0.00 176.35 174.36 2uwq s ARG 81 N 2.08 3.77 -0.30 1.98 1.81 -0.71 -4.79 118.95 122.80 2uwq s ARG 81 Ca 0.21 -0.36 -0.08 0.00 -1.72 0.00 0.00 55.73 53.78 2uwq s ARG 81 Cb -0.16 -3.72 -0.01 0.00 -0.45 0.00 0.00 34.95 30.61 2uwq s ARG 81 CO 0.09 -0.33 0.11 -1.01 -0.68 0.00 0.00 175.30 173.49 2uwq s HIS 82 N 1.86 3.15 -2.43 -0.53 3.76 -1.26 -3.48 115.29 116.36 2uwq s HIS 82 Ca 0.09 -0.68 0.29 0.00 -0.15 0.00 0.00 55.06 54.61 2uwq s HIS 82 Cb -0.16 -2.30 1.17 0.00 1.11 0.00 0.00 32.58 32.39 2uwq s HIS 82 CO 0.11 -0.48 1.81 -1.91 -0.85 0.00 0.00 174.74 173.42