#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 0.61 2.59 -0.02 0.00 -1.26 -5.07 105.19 102.04 2uwq n GLY -1 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 3.61 -0.34 1.61 0.15 -1.26 -5.05 113.70 111.43 2uwq s SER 0 Ca 0.00 -1.53 -0.05 0.00 0.70 0.00 0.00 55.95 55.07 2uwq s SER 0 Cb 0.00 -0.52 0.19 0.00 -1.71 0.00 0.00 66.02 63.98 2uwq s SER 0 CO 0.00 -0.41 0.93 0.00 1.20 0.00 0.00 173.24 174.96 2uwq s MET 1 N 1.80 0.33 -0.54 5.44 0.00 -1.26 -5.09 119.30 119.97 2uwq s MET 1 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 55.69 55.83 2uwq s MET 1 Cb -0.17 0.06 0.23 0.00 0.00 0.00 0.00 34.83 34.94 2uwq s MET 1 CO -0.28 -0.50 0.59 -1.33 0.00 0.00 0.00 175.02 173.50 2uwq n MET 2 N 4.19 1.59 -0.29 3.16 0.00 -1.26 -5.12 117.12 119.39 2uwq n MET 2 Ca 0.07 -4.01 -0.25 0.00 0.00 0.00 0.00 57.70 53.51 2uwq n MET 2 Cb 0.60 -1.86 0.24 0.00 0.00 0.00 0.00 33.22 32.20 2uwq n MET 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2uwq n PRO 3 N 1.40 -3.74 -3.68 0.03 -0.02 -1.26 -5.07 135.00 122.67 2uwq n PRO 3 Ca 0.26 -1.17 -0.19 0.00 -2.02 0.00 0.00 63.50 60.37 2uwq n PRO 3 Cb 0.45 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 2uwq n PRO 3 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2uwq n MET 4 N -4.34 0.93 -3.89 -0.52 2.81 -1.26 -5.01 117.12 105.84 2uwq n MET 4 Ca 0.11 -2.37 -0.09 0.00 -1.81 0.00 0.00 57.70 53.54 2uwq n MET 4 Cb 0.48 0.97 -0.08 0.00 -0.71 0.00 0.00 33.22 33.88 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 -2.40 0.16 -0.00 2.03 -0.12 -1.26 -1.26 117.98 115.13 2uwq s PHE 5 Ca 0.07 -0.49 0.06 0.00 -0.05 0.00 0.00 56.93 56.53 2uwq s PHE 5 Cb 0.00 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 2uwq s PHE 5 CO 0.05 -0.44 -0.20 -0.48 -0.05 0.00 0.00 175.22 174.10 2uwq s LEU 6 N -2.37 2.07 -0.44 -1.99 0.05 -0.06 -4.89 118.68 111.04 2uwq s LEU 6 Ca -0.01 -0.40 -0.22 0.00 0.05 0.00 0.00 54.13 53.55 2uwq s LEU 6 Cb 0.01 -1.01 0.02 0.00 -2.05 0.00 0.00 46.19 43.17 2uwq s LEU 6 CO -0.07 0.22 0.74 -0.89 -0.55 0.00 0.00 176.35 175.80 2uwq s THR 7 N -0.54 4.71 0.30 5.48 2.01 -1.26 -1.32 115.64 125.02 2uwq s THR 7 Ca 0.08 0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 2uwq s THR 7 Cb -0.08 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 2uwq s THR 7 CO -0.00 -0.66 0.58 -0.69 -0.69 0.00 0.00 174.62 173.15 2uwq s VAL 8 N 3.12 5.00 -0.15 3.82 1.01 0.15 -0.65 120.40 132.71 2uwq s VAL 8 Ca 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2uwq s VAL 8 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2uwq s VAL 8 CO 0.21 -0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 174.55 2uwq s TYR 9 N -2.13 2.89 -0.03 5.22 4.12 0.30 0.23 117.35 127.96 2uwq s TYR 9 Ca 0.44 -0.60 -0.19 0.00 0.02 0.00 0.00 57.07 56.74 2uwq s TYR 9 Cb -0.11 -1.91 -0.05 0.00 -1.52 0.00 0.00 41.96 38.37 2uwq s TYR 9 CO 0.30 -0.22 0.55 -0.51 0.02 0.00 0.00 175.55 175.69 2uwq s LEU 10 N 0.53 4.40 0.00 -1.29 1.02 -1.01 -2.04 118.68 120.28 2uwq s LEU 10 Ca -0.07 1.06 0.00 0.00 0.02 0.00 0.00 54.13 55.15 2uwq s LEU 10 Cb -0.15 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.23 2uwq s LEU 10 CO 0.03 0.11 0.00 -0.24 0.02 0.00 0.00 176.35 176.28 2uwq n SER 11 N 2.79 -3.06 -2.47 2.29 2.88 -1.26 -3.26 113.62 111.52 2uwq n SER 11 Ca -0.08 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.18 2uwq n SER 11 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 2uwq n SER 11 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2uwq n ASN 12 N -3.24 6.67 -4.92 -3.46 3.02 -1.26 -4.80 115.26 107.28 2uwq n ASN 12 Ca 0.00 -3.30 -0.20 0.00 -0.03 0.00 0.00 54.58 51.05 2uwq n ASN 12 Cb 0.00 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 37.97 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 0.05 5.51 0.00 6.41 3.84 -1.20 -5.04 114.94 124.50 2uwq s ASN 13 Ca 0.55 -0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.22 2uwq s ASN 13 Cb 0.38 -0.96 -0.02 0.00 -0.55 0.00 0.00 41.25 40.10 2uwq s ASN 13 CO -0.22 -0.47 0.15 1.21 -2.79 0.00 0.00 177.10 174.99 2uwq n GLU 14 N -1.53 5.57 0.00 0.43 2.13 -1.26 -4.67 120.64 121.30 2uwq n GLU 14 Ca 0.01 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2uwq n GLU 14 Cb 0.59 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.65 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 -0.95 5.03 -3.62 5.31 -0.06 -1.26 -4.97 117.38 116.85 2uwq n GLN 15 Ca 0.01 -0.08 -0.37 0.00 -2.00 0.00 0.00 57.00 54.55 2uwq n GLN 15 Cb 0.04 -0.53 -0.11 0.00 -4.06 0.00 0.00 30.24 25.58 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 -0.74 3.24 0.07 3.69 2.46 -1.26 -5.05 115.29 117.69 2uwq s HIS 16 Ca 0.00 0.11 -0.06 0.00 0.47 0.00 0.00 55.06 55.59 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 1.56 0.29 -0.14 3.88 -0.71 -1.26 -2.41 117.98 119.20 2uwq s PHE 17 Ca 0.07 -0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 55.19 2uwq s PHE 17 Cb -0.15 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2uwq s PHE 17 CO 0.09 -0.47 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.40 2uwq s THR 18 N -3.81 0.71 0.24 -4.49 -1.32 0.63 -4.89 115.64 102.72 2uwq s THR 18 Ca 0.05 -0.33 -0.05 0.00 -1.21 0.00 0.00 61.69 60.15 2uwq s THR 18 Cb 0.06 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2uwq s THR 18 CO -0.10 0.11 0.50 -1.83 -2.21 0.00 0.00 174.62 171.09 2uwq s GLU 19 N 1.81 3.64 -0.19 7.08 -1.05 -1.26 0.34 118.70 129.07 2uwq s GLU 19 Ca 0.02 -0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.64 2uwq s GLU 19 Cb -0.14 -2.70 0.05 0.00 -0.44 0.00 0.00 34.13 30.89 2uwq s GLU 19 CO -0.07 0.30 0.52 0.14 0.95 0.00 0.00 175.26 177.10 2uwq s VAL 20 N -1.94 0.00 -0.32 1.83 -7.23 -0.44 -4.92 120.40 107.39 2uwq s VAL 20 Ca 0.43 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.41 2uwq s VAL 20 Cb -0.11 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 2uwq s VAL 20 CO 0.27 -0.01 0.52 -2.16 -0.31 0.00 0.00 175.10 173.42 2uwq s PRO 21 N 0.20 3.79 -0.04 4.82 0.04 -1.26 -0.88 135.00 141.67 2uwq s PRO 21 Ca -0.01 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.12 2uwq s PRO 21 Cb -0.04 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 2uwq s PRO 21 CO 0.01 -0.55 -0.19 0.54 0.04 0.00 0.00 177.00 176.86 2uwq s VAL 22 N 2.40 1.57 0.68 -0.36 0.11 -0.39 -4.95 120.40 119.45 2uwq s VAL 22 Ca 0.20 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 2uwq s VAL 22 Cb -0.15 -1.33 0.05 0.00 -1.53 0.00 0.00 36.38 33.41 2uwq s VAL 22 CO 0.12 0.45 0.98 0.42 -3.33 0.00 0.00 175.10 173.74 2uwq s THR 23 N -0.07 2.52 -1.17 5.04 -4.23 -1.26 -4.18 115.64 112.30 2uwq s THR 23 Ca -0.02 -0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.16 2uwq s THR 23 Cb -0.11 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.59 2uwq s THR 23 CO 0.02 -0.08 2.40 -0.81 -0.54 0.00 0.00 174.62 175.61 2uwq n PRO 24 N -2.83 2.64 0.00 3.99 -0.04 -1.26 -3.25 135.00 134.25 2uwq n PRO 24 Ca 0.07 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2uwq n PRO 24 Cb 0.60 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 4.07 0.00 -3.33 0.54 -0.58 -1.26 -5.09 120.64 115.00 2uwq n GLU 25 Ca 0.56 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 57.01 2uwq n GLU 25 Cb 0.17 -0.05 -0.04 0.00 -0.57 0.00 0.00 31.44 30.96 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2uwq s THR 26 N -1.91 4.98 -0.03 2.62 -4.23 -1.20 -5.06 115.64 110.82 2uwq s THR 26 Ca 0.00 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 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 -0.26 0.01 0.27 -0.54 0.00 0.00 174.62 174.10 2uwq s ILE 27 N -2.02 0.13 0.00 2.99 -5.25 -1.26 -4.23 121.20 111.55 2uwq s ILE 27 Ca 0.45 0.14 0.00 0.00 -0.99 0.00 0.00 60.65 60.25 2uwq s ILE 27 Cb -0.11 -0.25 0.00 0.00 2.95 0.00 0.00 42.46 45.05 2uwq s ILE 27 CO 0.27 0.15 0.00 0.00 -1.79 0.00 0.00 174.94 173.57 2uwq h ARG 29 N 0.00 0.20 -0.09 0.00 2.43 -1.90 -2.32 114.38 112.70 2uwq h ARG 29 Ca 0.00 -0.34 -0.14 0.00 -0.81 0.00 0.00 59.98 58.70 2uwq h ARG 29 Cb 0.33 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2uwq h ARG 29 CO 0.00 1.11 -0.48 -0.44 -1.51 0.00 0.00 179.97 178.65 2uwq h ASP 30 N 0.05 0.58 -0.18 -3.80 3.32 -1.97 0.15 116.42 114.58 2uwq h ASP 30 Ca -0.15 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.25 2uwq h ASP 30 Cb 1.95 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 2uwq h ASP 30 CO 0.17 1.14 0.10 -0.37 -1.72 0.00 0.00 179.24 178.56 2uwq h VAL 31 N 0.06 1.09 0.01 -1.35 -1.51 -1.92 -1.34 116.25 111.29 2uwq h VAL 31 Ca -0.04 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2uwq h VAL 31 Cb 1.13 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2uwq h VAL 31 CO 0.10 0.09 -0.00 0.58 -1.23 0.00 0.00 177.57 177.10 2uwq h VAL 32 N 0.20 1.49 -0.54 7.19 2.07 -1.48 -0.81 116.25 124.38 2uwq h VAL 32 Ca 0.06 -1.53 0.09 0.00 0.82 0.00 0.00 66.70 66.15 2uwq h VAL 32 Cb 0.05 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2uwq h VAL 32 CO -0.01 0.39 0.36 0.44 0.02 0.00 0.00 177.57 178.78 2uwq h ASP 33 N -0.67 0.29 0.26 0.57 3.45 -0.72 -1.75 116.42 117.85 2uwq h ASP 33 Ca -0.00 0.01 -0.34 0.00 0.43 0.00 0.00 57.03 57.13 2uwq h ASP 33 Cb 0.65 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.33 2uwq h ASP 33 CO 0.00 0.18 -1.94 0.18 -1.57 0.00 0.00 179.24 176.09 2uwq n LEU 34 N -4.46 1.72 -1.91 1.55 4.77 -0.51 -4.22 117.00 113.94 2uwq n LEU 34 Ca 0.09 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 2uwq n LEU 34 Cb 0.37 -0.44 0.17 0.00 -2.33 0.00 0.00 43.42 41.20 2uwq n LEU 34 CO 0.34 0.64 1.06 0.00 -1.33 0.00 0.00 177.39 178.10 2uwq n LYS 36 N -0.59 1.64 0.04 0.00 5.02 -0.68 -4.46 118.16 119.13 2uwq n LYS 36 Ca 0.43 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2uwq n LYS 36 Cb 1.36 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 36.44 2uwq n LYS 36 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uwq n GLU 37 N -0.38 0.00 -0.14 1.97 -0.58 -1.26 -5.04 120.64 115.21 2uwq n GLU 37 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2uwq n GLU 37 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 2uwq n GLU 37 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2uwq n PRO 38 N -2.97 0.26 -1.52 3.49 -0.04 -1.26 -4.95 135.00 128.01 2uwq n PRO 38 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2uwq n PRO 38 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 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 5.00 4.51 3.75 0.55 0.00 -1.26 -4.98 105.19 112.76 2uwq n GLY 39 Ca 0.00 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.05 2.70 0.01 1.61 2.56 -1.26 -5.05 118.70 117.22 2uwq s GLU 40 Ca 0.57 1.70 0.01 0.00 0.00 0.00 0.00 54.97 57.26 2uwq s GLU 40 Cb 0.39 -1.91 -0.01 0.00 2.00 0.00 0.00 34.13 34.60 2uwq s GLU 40 CO -0.24 -1.39 -0.05 -1.12 -0.56 0.00 0.00 175.26 171.90 2uwq s SER 41 N -1.94 0.55 -0.51 -1.70 0.01 -1.26 -4.94 113.70 103.90 2uwq s SER 41 Ca 0.74 -0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 2uwq s SER 41 Cb -0.28 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2uwq s SER 41 CO 0.38 -0.07 0.54 0.47 0.41 0.00 0.00 173.24 174.97 2uwq n ASP 42 N 2.37 -6.72 -4.38 2.44 8.00 -1.26 -4.77 116.55 112.22 2uwq n ASP 42 Ca -0.17 0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.22 2uwq n ASP 42 Cb 0.57 -4.50 -0.10 0.00 -0.02 0.00 0.00 41.12 37.07 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 -2.60 1.10 0.03 0.00 -3.43 -1.16 -4.64 115.29 104.59 2uwq s HIS 44 Ca 0.23 -0.75 -0.01 0.00 -0.80 0.00 0.00 55.06 53.73 2uwq s HIS 44 Cb -0.03 -0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 30.49 2uwq s HIS 44 CO 0.09 -0.00 0.20 -1.17 -2.00 0.00 0.00 174.74 171.86 2uwq s LEU 45 N -2.86 4.35 0.16 5.38 2.96 -0.11 -1.72 118.68 126.84 2uwq s LEU 45 Ca 0.11 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2uwq s LEU 45 Cb 0.01 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2uwq s LEU 45 CO -0.01 0.21 -0.10 0.00 -1.32 0.00 0.00 176.35 175.13 2uwq s ALA 46 N -1.43 2.94 -0.20 5.97 0.00 0.10 0.47 121.76 129.62 2uwq s ALA 46 Ca 0.32 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 2uwq s ALA 46 Cb -0.13 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.28 2uwq s ALA 46 CO 0.24 0.50 -0.02 -1.83 0.00 0.00 0.00 175.76 174.65 2uwq s GLU 47 N -2.69 1.22 -0.10 0.00 -1.05 -0.58 -1.77 118.70 113.73 2uwq s GLU 47 Ca 0.24 -0.65 0.02 0.00 -0.15 0.00 0.00 54.97 54.43 2uwq s GLU 47 Cb -0.09 -2.25 0.01 0.00 -0.44 0.00 0.00 34.13 31.36 2uwq s GLU 47 CO 0.15 -0.56 -0.17 0.08 0.95 0.00 0.00 175.26 175.70 2uwq s VAL 48 N 1.63 1.61 -0.12 1.83 1.01 -0.78 -0.18 120.40 125.40 2uwq s VAL 48 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2uwq s VAL 48 Cb -0.17 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.83 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 0.78 -0.35 -1.46 5.22 -2.14 0.28 -0.39 118.94 120.88 2uwq s TRP 49 Ca -0.11 0.87 -0.01 0.00 2.66 0.00 0.00 56.10 59.51 2uwq s TRP 49 Cb -0.16 -0.10 0.00 0.00 -3.10 0.00 0.00 33.47 30.12 2uwq s TRP 49 CO 0.02 -0.33 0.25 0.00 -2.66 0.00 0.00 176.95 174.22 2uwq n GLY 51 N -2.25 2.10 3.42 0.00 0.00 -1.26 -4.98 105.19 102.23 2uwq n GLY 51 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.39 6.38 -0.11 1.61 0.01 0.30 -5.01 113.70 113.47 2uwq s SER 52 Ca 0.00 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.67 2uwq s SER 52 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2uwq s SER 52 CO 0.00 -1.17 -0.11 -1.83 0.41 0.00 0.00 173.24 170.54 2uwq s GLU 53 N 2.97 3.21 0.02 12.44 4.04 -1.26 0.10 118.70 140.24 2uwq s GLU 53 Ca 0.23 -0.65 -0.10 0.00 0.04 0.00 0.00 54.97 54.49 2uwq s GLU 53 Cb -0.14 -2.63 0.01 0.00 0.02 0.00 0.00 34.13 31.39 2uwq s GLU 53 CO 0.01 0.34 0.21 1.03 -1.84 0.00 0.00 175.26 175.00 2uwq s ARG 54 N 0.04 0.66 -0.12 -4.83 0.52 0.75 -4.97 118.95 111.00 2uwq s ARG 54 Ca -0.04 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 2uwq s ARG 54 Cb -0.14 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 2uwq s ARG 54 CO 0.04 -0.19 1.11 -1.25 0.02 0.00 0.00 175.30 175.03 2uwq s PRO 55 N -2.13 4.35 -0.14 3.54 0.04 -1.26 -1.52 135.00 137.87 2uwq s PRO 55 Ca -0.08 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 2uwq s PRO 55 Cb -0.03 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 2uwq s PRO 55 CO -0.01 -0.47 -0.01 0.54 0.04 0.00 0.00 177.00 177.09 2uwq s VAL 56 N 2.49 4.17 0.34 -0.36 0.11 0.18 -4.92 120.40 122.41 2uwq s VAL 56 Ca 0.51 -0.27 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 2uwq s VAL 56 Cb -0.20 -2.82 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 2uwq s VAL 56 CO 0.17 0.51 0.98 0.00 -3.33 0.00 0.00 175.10 173.42 2uwq s ALA 57 N 0.07 3.19 -0.40 1.54 0.00 -1.26 -0.94 121.76 123.96 2uwq s ALA 57 Ca 0.01 0.58 0.15 0.00 0.00 0.00 0.00 51.96 52.70 2uwq s ALA 57 Cb -0.13 -3.21 0.79 0.00 0.00 0.00 0.00 23.12 20.57 2uwq s ALA 57 CO 0.02 0.07 1.43 -0.25 0.00 0.00 0.00 175.76 177.03 2uwq n ASP 58 N 0.42 0.38 -1.91 0.00 10.43 -1.26 -1.17 116.55 123.43 2uwq n ASP 58 Ca 0.03 0.66 0.01 0.00 2.57 0.00 0.00 54.79 58.06 2uwq n ASP 58 Cb 0.50 -0.70 0.36 0.00 1.84 0.00 0.00 41.12 43.11 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 -2.01 5.26 -4.55 -2.24 5.03 -1.26 -2.67 115.26 112.82 2uwq n ASN 59 Ca -0.01 -3.08 -0.42 0.00 0.87 0.00 0.00 54.58 51.94 2uwq n ASN 59 Cb 0.06 -0.71 -0.07 0.00 -1.02 0.00 0.00 39.78 38.04 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2uwq s GLU 60 N -2.89 3.53 0.33 3.52 2.02 -0.32 -4.89 118.70 120.01 2uwq s GLU 60 Ca 0.55 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 55.13 2uwq s GLU 60 Cb 0.43 -3.86 -0.12 0.00 0.10 0.00 0.00 34.13 30.68 2uwq s GLU 60 CO 0.14 -0.83 1.51 0.54 0.02 0.00 0.00 175.26 176.65 2uwq n ARG 61 N 6.11 2.60 0.00 1.61 1.74 -1.26 -3.76 116.66 123.69 2uwq n ARG 61 Ca -0.02 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2uwq n ARG 61 Cb 0.48 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 2uwq n ARG 61 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2uwq n MET 62 N 1.25 0.00 -0.21 5.56 0.00 -1.26 0.77 117.12 123.22 2uwq n MET 62 Ca 0.05 0.29 0.13 0.00 -0.00 0.00 0.00 57.70 58.17 2uwq n MET 62 Cb 0.37 -0.58 0.44 0.00 0.00 0.00 0.00 33.22 33.45 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 0.65 -0.99 1.12 -1.00 -1.91 0.81 116.94 115.62 2uwq h PHE 63 Ca 0.00 0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.91 2uwq h PHE 63 Cb 0.00 -0.21 -0.08 0.00 3.61 0.00 0.00 35.95 39.27 2uwq h PHE 63 CO 0.00 0.25 0.62 0.22 -1.61 0.00 0.00 178.31 177.79 2uwq h ASP 64 N 0.56 0.91 1.25 2.17 1.82 -0.01 0.54 116.42 123.66 2uwq h ASP 64 Ca 0.40 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.95 2uwq h ASP 64 Cb 0.75 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 2uwq h ASP 64 CO -0.16 0.49 -0.64 0.58 -1.61 0.00 0.00 179.24 177.90 2uwq h VAL 65 N 0.99 1.14 0.00 2.25 2.07 0.26 -3.13 116.25 119.83 2uwq h VAL 65 Ca 0.49 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2uwq h VAL 65 Cb 0.46 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2uwq h VAL 65 CO -0.26 0.63 -0.01 0.18 0.02 0.00 0.00 177.57 178.13 2uwq n LEU 66 N -3.31 0.04 0.02 2.57 4.32 0.99 -3.17 117.00 118.45 2uwq n LEU 66 Ca 0.01 0.49 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 2uwq n LEU 66 Cb 0.77 -0.49 0.14 0.00 -1.62 0.00 0.00 43.42 42.23 2uwq n LEU 66 CO 0.42 -0.01 0.27 0.00 -1.22 0.00 0.00 177.39 176.85 2uwq n GLN 67 N -1.53 0.15 -0.00 3.23 1.13 0.15 -4.05 117.38 116.46 2uwq n GLN 67 Ca 0.07 0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 55.07 2uwq n GLN 67 Cb 0.34 -1.57 -0.14 0.00 0.11 0.00 0.00 30.24 28.99 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 0.43 -1.09 0.11 -1.65 -3.37 114.38 108.81 2uwq h ARG 68 Ca 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2uwq h ARG 68 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2uwq h ARG 68 CO 0.00 0.62 -0.21 0.74 0.10 0.00 0.00 179.97 181.23 2uwq h PHE 69 N 0.00 -0.54 0.00 4.08 -1.00 -1.70 -3.50 116.94 114.28 2uwq h PHE 69 Ca -0.21 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.55 2uwq h PHE 69 Cb 1.95 0.18 0.00 0.00 3.61 0.00 0.00 35.95 41.69 2uwq h PHE 69 CO 0.00 -0.24 0.00 0.41 -1.61 0.00 0.00 178.31 176.87 2uwq n GLY 70 N -0.78 0.83 0.36 -1.45 0.00 -1.26 -4.83 105.19 98.05 2uwq n GLY 70 Ca -0.11 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.07 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 0.87 -1.57 1.61 0.02 -1.94 -3.33 113.55 109.21 2uwq h SER 71 Ca 0.00 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 2uwq h SER 71 Cb 0.00 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 62.22 2uwq h SER 71 CO 0.00 0.59 1.40 -1.10 -1.14 0.00 0.00 176.83 176.58 2uwq s GLN 72 N -5.86 3.71 0.27 3.45 -1.52 -1.26 -4.76 119.66 113.69 2uwq s GLN 72 Ca -0.11 -1.60 0.22 0.00 -1.95 0.00 0.00 55.36 51.91 2uwq s GLN 72 Cb 0.19 -5.23 0.10 0.00 -0.22 0.00 0.00 33.01 27.85 2uwq s GLN 72 CO 0.79 -2.04 1.23 0.00 -0.25 0.00 0.00 175.29 175.02 2uwq h ARG 73 N 8.89 0.00 -0.99 2.91 3.08 -1.88 -3.31 114.38 123.07 2uwq h ARG 73 Ca 0.24 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.87 2uwq h ARG 73 Cb 0.98 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.78 2uwq h ARG 73 CO 1.32 0.07 0.53 0.27 -1.07 0.00 0.00 179.97 181.08 2uwq n ASN 74 N -2.87 3.63 0.00 7.04 6.94 -1.26 -3.93 115.26 124.81 2uwq n ASN 74 Ca 0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.27 2uwq n ASN 74 Cb 0.59 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2uwq n GLU 75 N -0.81 3.16 -3.01 -3.83 2.13 -1.25 -5.06 120.64 111.96 2uwq n GLU 75 Ca 0.48 -0.20 -0.23 0.00 0.66 0.00 0.00 57.16 57.87 2uwq n GLU 75 Cb 1.45 -0.68 0.01 0.00 0.27 0.00 0.00 31.44 32.49 2uwq n GLU 75 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2uwq s VAL 76 N -0.51 3.98 0.00 6.31 0.11 -1.25 -4.01 120.40 125.03 2uwq s VAL 76 Ca 0.00 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 2uwq s VAL 76 Cb 0.00 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 2uwq s VAL 76 CO 0.00 -0.32 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.22 2uwq s ARG 77 N -4.53 0.80 -0.11 1.54 0.52 0.47 -4.86 118.95 112.78 2uwq s ARG 77 Ca 0.48 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2uwq s ARG 77 Cb -0.10 -0.77 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2uwq s ARG 77 CO 0.37 0.20 0.00 -0.06 0.02 0.00 0.00 175.30 175.84 2uwq s PHE 78 N -0.42 3.14 -0.02 -0.53 2.99 0.18 -1.86 117.98 121.47 2uwq s PHE 78 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 56.93 56.99 2uwq s PHE 78 Cb -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 43.02 41.11 2uwq s PHE 78 CO -0.00 0.32 0.07 -0.06 -0.00 0.00 0.00 175.22 175.55 2uwq s PHE 79 N -0.44 -0.01 -0.25 0.36 0.08 -0.73 0.11 117.98 117.10 2uwq s PHE 79 Ca 0.08 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 56.99 2uwq s PHE 79 Cb -0.12 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 2uwq s PHE 79 CO 0.02 -0.11 0.49 -1.17 -0.10 0.00 0.00 175.22 174.35 2uwq s LEU 80 N -0.44 4.07 -0.24 -0.37 1.98 -0.87 0.00 118.68 122.82 2uwq s LEU 80 Ca -0.05 0.51 -0.06 0.00 -2.89 0.00 0.00 54.13 51.64 2uwq s LEU 80 Cb -0.03 -2.63 -0.02 0.00 0.66 0.00 0.00 46.19 44.17 2uwq s LEU 80 CO 0.00 -0.24 0.03 -0.13 -1.89 0.00 0.00 176.35 174.12 2uwq s ARG 81 N 2.10 3.57 -0.04 1.98 0.52 -0.70 -4.67 118.95 121.71 2uwq s ARG 81 Ca 0.21 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2uwq s ARG 81 Cb -0.16 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2uwq s ARG 81 CO 0.09 -0.17 0.03 -1.01 0.02 0.00 0.00 175.30 174.25 2uwq s HIS 82 N 1.52 3.18 0.00 -0.53 3.76 -1.26 -2.96 115.29 119.00 2uwq s HIS 82 Ca 0.06 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 2uwq s HIS 82 Cb -0.15 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.79 2uwq s HIS 82 CO 0.01 0.50 0.00 0.39 -0.85 0.00 0.00 174.74 174.79