#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 0.76 0.00 -0.02 0.00 -1.26 -5.12 105.19 99.55 2uwq n GLY -1 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2uwq n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2uwq n SER 0 N 0.22 0.00 -4.07 1.61 7.64 -1.26 -5.13 113.62 112.63 2uwq n SER 0 Ca -0.07 -0.95 -0.34 0.00 1.01 0.00 0.00 58.87 58.52 2uwq n SER 0 Cb 0.88 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.95 2uwq n SER 0 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2uwq s MET 1 N -1.84 1.81 -0.24 1.43 1.00 -1.26 -5.07 119.30 115.13 2uwq s MET 1 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 55.69 53.78 2uwq s MET 1 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 34.83 31.43 2uwq s MET 1 CO 0.00 -1.02 -0.08 -1.64 0.00 0.00 0.00 175.02 172.27 2uwq s MET 2 N 0.95 2.77 1.14 2.03 1.00 -1.26 -5.12 119.30 120.82 2uwq s MET 2 Ca 0.10 -1.01 -0.19 0.00 0.00 0.00 0.00 55.69 54.59 2uwq s MET 2 Cb -0.21 -2.93 0.28 0.00 0.00 0.00 0.00 34.83 31.97 2uwq s MET 2 CO -0.06 -0.40 1.00 -0.35 0.00 0.00 0.00 175.02 175.21 2uwq n PRO 3 N 4.63 -3.04 -3.23 2.03 -0.04 -1.26 -5.10 135.00 128.99 2uwq n PRO 3 Ca -0.17 -1.60 -0.11 0.00 -0.04 0.00 0.00 63.50 61.58 2uwq n PRO 3 Cb 0.47 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -4.61 0.36 -3.97 0.54 2.81 -1.26 -5.05 117.12 105.93 2uwq n MET 4 Ca 0.14 -1.82 -0.09 0.00 -1.81 0.00 0.00 57.70 54.12 2uwq n MET 4 Cb 0.54 1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 34.31 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 -2.64 0.28 0.00 2.03 -0.12 -1.26 -1.98 117.98 114.30 2uwq s PHE 5 Ca 0.19 -0.63 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 2uwq s PHE 5 Cb 0.01 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2uwq s PHE 5 CO 0.13 -0.33 -0.22 -0.48 -0.05 0.00 0.00 175.22 174.27 2uwq s LEU 6 N -2.16 2.08 -0.40 -1.99 0.05 -0.58 -4.89 118.68 110.78 2uwq s LEU 6 Ca -0.05 -0.43 -0.18 0.00 0.05 0.00 0.00 54.13 53.52 2uwq s LEU 6 Cb -0.01 -1.09 0.01 0.00 -2.05 0.00 0.00 46.19 43.05 2uwq s LEU 6 CO -0.05 0.24 0.49 -0.89 -0.55 0.00 0.00 176.35 175.59 2uwq s THR 7 N -0.59 5.03 0.33 5.48 2.01 -1.26 -1.21 115.64 125.43 2uwq s THR 7 Ca 0.08 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 2uwq s THR 7 Cb -0.08 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2uwq s THR 7 CO -0.00 -0.38 0.54 -0.69 -0.69 0.00 0.00 174.62 173.40 2uwq s VAL 8 N 2.31 5.09 -0.11 3.82 1.01 0.54 -1.27 120.40 131.80 2uwq s VAL 8 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2uwq s VAL 8 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2uwq s VAL 8 CO 0.14 -0.49 -0.10 -0.31 0.00 0.00 0.00 175.10 174.35 2uwq s TYR 9 N -2.25 2.87 -0.06 5.22 1.51 0.26 0.20 117.35 125.10 2uwq s TYR 9 Ca 0.41 -0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 55.97 2uwq s TYR 9 Cb -0.10 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2uwq s TYR 9 CO 0.35 0.03 0.47 -0.51 -1.11 0.00 0.00 175.55 174.78 2uwq s LEU 10 N -0.12 4.36 0.00 -1.29 1.02 -0.63 -1.95 118.68 120.08 2uwq s LEU 10 Ca 0.00 0.92 0.00 0.00 0.02 0.00 0.00 54.13 55.07 2uwq s LEU 10 Cb -0.13 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2uwq s LEU 10 CO 0.03 0.12 0.00 -1.20 0.02 0.00 0.00 176.35 175.32 2uwq n SER 11 N 2.94 0.00 -4.57 2.29 7.64 -1.26 -3.47 113.62 117.19 2uwq n SER 11 Ca -0.09 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.46 2uwq n SER 11 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 2uwq n SER 11 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2uwq s ASN 12 N -3.68 5.65 -0.01 6.43 2.47 -1.26 -4.90 114.94 119.65 2uwq s ASN 12 Ca 0.00 -1.47 -0.30 0.00 0.42 0.00 0.00 52.86 51.52 2uwq s ASN 12 Cb 0.00 -2.58 -0.08 0.00 -1.45 0.00 0.00 41.25 37.14 2uwq s ASN 12 CO 0.00 -2.35 2.00 0.54 -3.72 0.00 0.00 177.10 173.56 2uwq s ASN 13 N 6.29 6.28 0.06 -4.21 2.20 -1.23 -4.34 114.94 120.00 2uwq s ASN 13 Ca 0.62 2.51 0.00 0.00 -0.94 0.00 0.00 52.86 55.05 2uwq s ASN 13 Cb -0.02 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 2uwq s ASN 13 CO 0.04 -1.21 0.00 1.21 -2.94 0.00 0.00 177.10 174.20 2uwq n GLU 14 N 7.74 0.00 0.00 3.55 2.13 -1.26 -4.97 120.64 127.84 2uwq n GLU 14 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2uwq n GLU 14 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 2uwq n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2uwq n GLN 15 N -2.66 1.33 -3.63 5.31 -0.00 -1.26 -5.03 117.38 111.44 2uwq n GLN 15 Ca 0.00 -0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.62 2uwq n GLN 15 Cb 0.00 -0.13 -0.11 0.00 -0.00 0.00 0.00 30.24 30.01 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 -0.19 3.23 0.07 2.61 2.46 -1.26 -5.05 115.29 117.15 2uwq s HIS 16 Ca 0.00 0.08 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 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 -0.13 0.11 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.57 0.29 -0.14 3.88 -0.71 -1.26 -1.60 117.98 120.01 2uwq s PHE 17 Ca 0.07 -0.76 -0.02 0.00 -1.04 0.00 0.00 56.93 55.18 2uwq s PHE 17 Cb -0.15 -0.18 0.04 0.00 -1.21 0.00 0.00 43.02 41.52 2uwq s PHE 17 CO 0.09 -0.48 0.00 -0.08 -1.34 0.00 0.00 175.22 173.41 2uwq s THR 18 N -3.84 0.59 0.23 -4.49 -1.32 0.53 -4.87 115.64 102.46 2uwq s THR 18 Ca 0.05 -0.33 -0.05 0.00 -1.21 0.00 0.00 61.69 60.16 2uwq s THR 18 Cb 0.06 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 2uwq s THR 18 CO -0.10 0.03 0.48 -1.83 -2.21 0.00 0.00 174.62 170.99 2uwq s GLU 19 N 1.85 3.64 -0.14 7.08 4.04 -1.26 -0.34 118.70 133.58 2uwq s GLU 19 Ca 0.02 -0.02 -0.09 0.00 0.04 0.00 0.00 54.97 54.91 2uwq s GLU 19 Cb -0.15 -2.73 0.05 0.00 0.02 0.00 0.00 34.13 31.32 2uwq s GLU 19 CO -0.07 0.32 0.34 0.14 -1.84 0.00 0.00 175.26 174.16 2uwq s VAL 20 N -1.90 -0.02 -0.50 1.83 -7.23 -0.35 -4.94 120.40 107.29 2uwq s VAL 20 Ca 0.43 0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.45 2uwq s VAL 20 Cb -0.11 -0.50 0.04 0.00 0.56 0.00 0.00 36.38 36.37 2uwq s VAL 20 CO 0.27 0.03 0.75 -2.16 -0.31 0.00 0.00 175.10 173.67 2uwq s PRO 21 N 0.88 3.24 0.16 4.82 0.04 -1.26 -1.53 135.00 141.35 2uwq s PRO 21 Ca -0.06 -0.52 0.10 0.00 0.04 0.00 0.00 61.00 60.56 2uwq s PRO 21 Cb -0.06 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2uwq s PRO 21 CO -0.06 -1.26 -0.20 0.54 0.04 0.00 0.00 177.00 176.06 2uwq s VAL 22 N 3.15 2.66 0.41 -0.36 0.11 -0.84 -4.96 120.40 120.58 2uwq s VAL 22 Ca 0.23 -1.74 0.08 0.00 -2.93 0.00 0.00 61.98 57.61 2uwq s VAL 22 Cb -0.15 -2.25 -0.00 0.00 -1.53 0.00 0.00 36.38 32.44 2uwq s VAL 22 CO 0.17 -0.01 0.50 0.42 -3.33 0.00 0.00 175.10 172.84 2uwq s THR 23 N -1.41 3.04 -0.94 5.04 -4.23 -1.26 -4.01 115.64 111.87 2uwq s THR 23 Ca 0.20 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.52 2uwq s THR 23 Cb -0.09 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 2uwq s THR 23 CO 0.10 -0.02 2.12 -0.81 -0.54 0.00 0.00 174.62 175.47 2uwq n PRO 24 N -1.74 2.09 0.07 3.99 -0.04 -1.26 -3.28 135.00 134.84 2uwq n PRO 24 Ca 0.06 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2uwq n PRO 24 Cb 0.60 -2.54 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 4.59 0.00 -3.18 0.54 1.02 -1.26 -5.06 120.64 117.28 2uwq n GLU 25 Ca 0.47 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.28 2uwq n GLU 25 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.54 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2uwq s THR 26 N -2.00 4.72 -0.03 2.62 -4.23 -1.21 -5.00 115.64 110.51 2uwq s THR 26 Ca 0.00 0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2uwq s THR 26 Cb 0.00 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.25 2uwq s THR 26 CO 0.00 -0.16 0.02 0.27 -0.54 0.00 0.00 174.62 174.21 2uwq s ILE 27 N -1.94 0.07 0.00 2.99 -0.00 -1.26 -3.78 121.20 117.27 2uwq s ILE 27 Ca 0.53 0.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.35 2uwq s ILE 27 Cb -0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.18 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.25 2uwq h ARG 29 N 0.00 0.28 -0.01 0.00 2.47 -1.90 -2.16 114.38 113.07 2uwq h ARG 29 Ca 0.00 -0.48 -0.16 0.00 -1.26 0.00 0.00 59.98 58.07 2uwq h ARG 29 Cb 0.29 0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2uwq h ARG 29 CO 0.00 1.23 -0.75 -0.44 0.56 0.00 0.00 179.97 180.57 2uwq h ASP 30 N -0.34 0.11 0.19 7.04 3.45 -1.97 0.77 116.42 125.67 2uwq h ASP 30 Ca -0.21 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.16 2uwq h ASP 30 Cb 1.70 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.44 2uwq h ASP 30 CO 0.12 0.82 -0.09 0.58 -1.57 0.00 0.00 179.24 179.10 2uwq h VAL 31 N 0.06 0.91 -0.05 -1.35 2.07 -1.91 -1.64 116.25 114.34 2uwq h VAL 31 Ca -0.02 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2uwq h VAL 31 Cb 1.33 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2uwq h VAL 31 CO 0.11 0.13 -0.25 0.58 0.02 0.00 0.00 177.57 178.16 2uwq h VAL 32 N -0.53 1.45 -0.75 2.57 2.07 -1.43 -1.24 116.25 118.40 2uwq h VAL 32 Ca -0.03 -1.70 0.11 0.00 0.82 0.00 0.00 66.70 65.91 2uwq h VAL 32 Cb 0.40 2.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 2uwq h VAL 32 CO 0.04 0.48 0.35 -0.78 0.02 0.00 0.00 177.57 177.68 2uwq h ASP 33 N -0.28 0.43 0.56 0.57 3.58 -0.92 0.14 116.42 120.50 2uwq h ASP 33 Ca -0.02 0.08 -0.29 0.00 0.42 0.00 0.00 57.03 57.23 2uwq h ASP 33 Cb 0.90 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 2uwq h ASP 33 CO 0.05 0.22 -1.36 -0.07 -2.88 0.00 0.00 179.24 175.19 2uwq h LEU 34 N 0.57 0.40 -3.97 2.28 3.38 -1.37 -3.32 115.31 113.28 2uwq h LEU 34 Ca 0.39 -0.47 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 2uwq h LEU 34 Cb 0.48 -0.13 -0.30 0.00 0.09 0.00 0.00 40.66 40.81 2uwq h LEU 34 CO -0.32 1.38 0.71 0.00 0.09 0.00 0.00 178.44 180.30 2uwq n LYS 36 N -0.99 0.58 -3.99 0.00 4.81 0.45 -4.67 118.16 114.36 2uwq n LYS 36 Ca 0.60 -0.75 -0.09 0.00 -0.87 0.00 0.00 58.31 57.19 2uwq n LYS 36 Cb 1.00 -0.14 -0.06 0.00 0.02 0.00 0.00 35.03 35.85 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 -2.97 1.42 -0.54 1.64 2.02 -1.26 -4.90 118.70 114.10 2uwq s GLU 37 Ca 0.17 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.61 2uwq s GLU 37 Cb -0.01 0.44 -0.12 0.00 0.10 0.00 0.00 34.13 34.53 2uwq s GLU 37 CO 0.11 -0.57 2.39 -2.30 0.02 0.00 0.00 175.26 174.91 2uwq n PRO 38 N -0.33 0.85 -2.96 0.39 -0.02 -1.26 -2.29 135.00 129.38 2uwq n PRO 38 Ca -0.03 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2uwq n PRO 38 Cb 0.63 -2.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 6.33 -0.94 3.76 -1.23 0.00 -1.26 -5.01 105.19 106.84 2uwq n GLY 39 Ca 0.45 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.87 3.83 0.01 1.61 2.56 -0.97 -5.10 118.70 116.77 2uwq s GLU 40 Ca 0.29 -0.22 0.02 0.00 0.00 0.00 0.00 54.97 55.06 2uwq s GLU 40 Cb -0.04 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.81 2uwq s GLU 40 CO 0.64 0.48 -0.05 0.45 -0.56 0.00 0.00 175.26 176.22 2uwq s SER 41 N -0.19 0.59 -0.27 -1.70 0.15 -1.26 -4.96 113.70 106.06 2uwq s SER 41 Ca 0.10 -0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.50 2uwq s SER 41 Cb -0.12 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2uwq s SER 41 CO 0.01 -0.02 0.08 0.47 1.20 0.00 0.00 173.24 174.97 2uwq n ASP 42 N 2.54 -5.63 -3.68 5.45 8.00 -1.26 -4.86 116.55 117.11 2uwq n ASP 42 Ca -0.16 1.41 -0.14 0.00 0.71 0.00 0.00 54.79 56.62 2uwq n ASP 42 Cb 0.57 -5.33 -0.08 0.00 -0.02 0.00 0.00 41.12 36.26 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 -0.08 2.32 0.10 0.00 -3.43 -1.18 -4.74 115.29 108.27 2uwq s HIS 44 Ca -0.03 -0.33 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2uwq s HIS 44 Cb -0.03 -1.04 -0.05 0.00 -1.43 0.00 0.00 32.58 30.02 2uwq s HIS 44 CO 0.02 0.65 0.33 -1.17 -2.00 0.00 0.00 174.74 172.58 2uwq s LEU 45 N -3.29 4.31 0.16 5.38 2.96 -0.20 -1.69 118.68 126.32 2uwq s LEU 45 Ca 0.28 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.82 2uwq s LEU 45 Cb -0.06 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2uwq s LEU 45 CO 0.14 0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 175.19 2uwq s ALA 46 N -1.54 2.94 -0.21 5.97 0.00 0.12 0.77 121.76 129.81 2uwq s ALA 46 Ca 0.37 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 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 0.23 0.50 -0.04 -1.83 0.00 0.00 0.00 175.76 174.62 2uwq s GLU 47 N -2.69 1.47 -0.13 0.00 -1.05 0.21 -1.86 118.70 114.64 2uwq s GLU 47 Ca 0.24 -0.78 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 2uwq s GLU 47 Cb -0.09 -2.37 0.02 0.00 -0.44 0.00 0.00 34.13 31.25 2uwq s GLU 47 CO 0.15 -0.55 -0.16 0.08 0.95 0.00 0.00 175.26 175.73 2uwq s VAL 48 N 1.52 1.63 -0.11 1.83 1.01 -0.81 0.24 120.40 125.72 2uwq s VAL 48 Ca -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2uwq s VAL 48 Cb -0.17 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.76 2uwq s VAL 48 CO -0.07 0.47 0.23 0.86 0.00 0.00 0.00 175.10 176.59 2uwq s TRP 49 N 1.17 -0.34 -1.43 5.22 -0.00 0.22 -0.76 118.94 123.03 2uwq s TRP 49 Ca -0.02 0.84 -0.06 0.00 -0.00 0.00 0.00 56.10 56.86 2uwq s TRP 49 Cb -0.14 -0.08 0.01 0.00 -0.00 0.00 0.00 33.47 33.25 2uwq s TRP 49 CO -0.06 -0.31 0.29 0.00 -0.00 0.00 0.00 176.95 176.88 2uwq n GLY 51 N -2.24 1.78 3.38 0.00 0.00 -1.26 -4.98 105.19 101.87 2uwq n GLY 51 Ca -0.28 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.36 6.41 -0.17 1.61 0.15 0.29 -5.02 113.70 113.61 2uwq s SER 52 Ca 0.00 -1.86 -0.03 0.00 0.70 0.00 0.00 55.95 54.76 2uwq s SER 52 Cb 0.00 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2uwq s SER 52 CO 0.00 -0.98 -0.04 -0.70 1.20 0.00 0.00 173.24 172.72 2uwq s GLU 53 N 2.09 3.58 0.03 5.44 -6.30 -1.25 0.69 118.70 122.97 2uwq s GLU 53 Ca 0.17 -0.56 -0.06 0.00 -2.50 0.00 0.00 54.97 52.03 2uwq s GLU 53 Cb -0.17 -2.92 -0.01 0.00 0.00 0.00 0.00 34.13 31.03 2uwq s GLU 53 CO -0.01 0.12 0.10 1.03 0.02 0.00 0.00 175.26 176.53 2uwq s ARG 54 N 0.66 0.55 -0.30 4.30 0.52 0.14 -4.97 118.95 119.85 2uwq s ARG 54 Ca -0.02 -0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 2uwq s ARG 54 Cb -0.15 0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.55 2uwq s ARG 54 CO 0.02 -0.13 0.92 -1.25 0.02 0.00 0.00 175.30 174.88 2uwq s PRO 55 N -2.27 4.04 -0.18 3.54 0.04 -1.26 -0.62 135.00 138.28 2uwq s PRO 55 Ca -0.08 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 2uwq s PRO 55 Cb -0.03 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 2uwq s PRO 55 CO -0.03 -0.75 0.19 0.54 0.04 0.00 0.00 177.00 176.99 2uwq s VAL 56 N 3.23 5.37 0.38 -0.36 0.11 0.23 -4.92 120.40 124.43 2uwq s VAL 56 Ca 0.38 0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 59.52 2uwq s VAL 56 Cb -0.14 -3.53 -0.10 0.00 -1.53 0.00 0.00 36.38 31.09 2uwq s VAL 56 CO 0.13 0.43 0.97 0.00 -3.33 0.00 0.00 175.10 173.30 2uwq s ALA 57 N 0.32 3.12 -0.63 1.54 0.00 -1.26 -1.03 121.76 123.82 2uwq s ALA 57 Ca 0.12 0.53 0.13 0.00 0.00 0.00 0.00 51.96 52.74 2uwq s ALA 57 Cb -0.12 -3.20 0.65 0.00 0.00 0.00 0.00 23.12 20.45 2uwq s ALA 57 CO 0.01 0.05 1.40 -0.25 0.00 0.00 0.00 175.76 176.97 2uwq n ASP 58 N -0.00 0.30 -1.65 0.00 8.00 -1.26 -1.49 116.55 120.46 2uwq n ASP 58 Ca 0.04 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.24 2uwq n ASP 58 Cb 0.51 -0.67 0.36 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.88 4.91 -4.68 -2.24 5.15 -1.26 -3.17 115.26 112.09 2uwq n ASN 59 Ca 0.00 -2.63 -0.39 0.00 -0.60 0.00 0.00 54.58 50.97 2uwq n ASN 59 Cb 0.06 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.63 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2uwq s GLU 60 N -2.21 4.22 0.47 1.20 2.02 -0.55 -4.89 118.70 118.95 2uwq s GLU 60 Ca 0.49 0.41 -0.23 0.00 0.02 0.00 0.00 54.97 55.65 2uwq s GLU 60 Cb 0.34 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 30.97 2uwq s GLU 60 CO 0.19 -0.08 1.23 1.03 0.02 0.00 0.00 175.26 177.65 2uwq s ARG 61 N 1.40 3.65 0.00 1.61 0.52 -1.26 -3.17 118.95 121.69 2uwq s ARG 61 Ca 0.24 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 2uwq s ARG 61 Cb -0.15 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2uwq s ARG 61 CO 0.10 -0.69 0.21 -0.12 0.02 0.00 0.00 175.30 174.82 2uwq n MET 62 N -0.52 0.00 0.08 3.54 0.00 -1.25 0.44 117.12 119.42 2uwq n MET 62 Ca 0.07 0.21 0.17 0.00 -0.00 0.00 0.00 57.70 58.16 2uwq n MET 62 Cb 0.47 -0.53 0.70 0.00 0.00 0.00 0.00 33.22 33.85 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 0.00 -0.96 1.12 -1.00 -1.89 -0.60 116.94 113.60 2uwq h PHE 63 Ca 0.00 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.89 2uwq h PHE 63 Cb 0.00 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.48 2uwq h PHE 63 CO 0.00 0.00 0.60 -0.44 -1.61 0.00 0.00 178.31 176.86 2uwq h ASP 64 N 0.00 0.88 1.27 2.17 5.19 -0.36 0.64 116.42 126.22 2uwq h ASP 64 Ca 0.18 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.50 2uwq h ASP 64 Cb 0.74 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2uwq h ASP 64 CO -0.00 0.49 -0.64 0.58 -3.12 0.00 0.00 179.24 176.55 2uwq h VAL 65 N 0.97 1.13 0.00 -1.35 2.07 0.99 -3.12 116.25 116.94 2uwq h VAL 65 Ca 0.47 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2uwq h VAL 65 Cb 0.42 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2uwq h VAL 65 CO -0.25 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.15 2uwq n LEU 66 N -3.30 0.08 0.14 2.57 4.77 0.13 -3.19 117.00 118.20 2uwq n LEU 66 Ca 0.01 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 2uwq n LEU 66 Cb 0.77 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2uwq n LEU 66 CO 0.42 -0.09 0.31 1.56 -1.33 0.00 0.00 177.39 178.26 2uwq h GLN 67 N 0.00 0.00 0.00 3.23 4.20 0.10 -3.34 115.11 119.30 2uwq h GLN 67 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 2uwq h GLN 67 Cb 0.45 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 2uwq h GLN 67 CO 0.00 0.08 -1.33 0.07 -0.67 0.00 0.00 178.83 176.98 2uwq h ARG 68 N 0.00 0.00 0.00 1.46 0.11 -1.70 -3.27 114.38 110.98 2uwq h ARG 68 Ca -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2uwq h ARG 68 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2uwq h ARG 68 CO 0.01 0.77 0.00 0.74 0.10 0.00 0.00 179.97 181.59 2uwq h PHE 69 N 0.00 0.00 0.00 4.08 0.04 -1.68 -3.46 116.94 115.92 2uwq h PHE 69 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2uwq h PHE 69 Cb 1.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.03 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 -0.95 3.03 0.00 -1.45 0.00 -1.24 -4.52 105.19 100.06 2uwq n GLY 70 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2uwq n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2uwq n SER 71 N 1.02 0.00 -4.56 1.61 2.88 -1.26 -4.98 113.62 108.32 2uwq n SER 71 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2uwq n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2uwq n SER 71 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2uwq s GLN 72 N -0.86 2.48 0.30 -1.46 -0.21 -1.26 -4.72 119.66 113.93 2uwq s GLN 72 Ca 0.00 -0.41 0.18 0.00 0.02 0.00 0.00 55.36 55.15 2uwq s GLN 72 Cb 0.00 -5.08 0.12 0.00 1.00 0.00 0.00 33.01 29.05 2uwq s GLN 72 CO 0.00 -3.57 1.39 -0.09 -2.12 0.00 0.00 175.29 170.90 2uwq h ARG 73 N 11.08 0.00 -0.18 2.91 2.43 -1.95 -3.19 114.38 125.49 2uwq h ARG 73 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2uwq h ARG 73 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2uwq h ARG 73 CO 1.20 0.28 0.00 0.09 -1.51 0.00 0.00 179.97 180.03 2uwq n ASN 74 N -3.10 1.18 -0.00 -3.80 3.02 -1.26 -3.41 115.26 107.90 2uwq n ASN 74 Ca 0.01 -1.82 0.05 0.00 -0.03 0.00 0.00 54.58 52.79 2uwq n ASN 74 Cb 0.67 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2uwq n GLU 75 N 0.08 3.32 -3.39 3.52 4.07 -1.20 -5.02 120.64 122.02 2uwq n GLU 75 Ca 0.11 -0.01 -0.26 0.00 -0.06 0.00 0.00 57.16 56.94 2uwq n GLU 75 Cb 0.22 -0.99 -0.02 0.00 -0.06 0.00 0.00 31.44 30.58 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 -2.02 5.08 0.02 6.31 0.11 -1.22 -4.06 120.40 124.63 2uwq s VAL 76 Ca 0.03 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2uwq s VAL 76 Cb 0.07 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2uwq s VAL 76 CO 0.40 -0.42 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.44 2uwq s ARG 77 N -3.87 1.32 -0.11 1.54 0.52 0.06 -4.86 118.95 113.55 2uwq s ARG 77 Ca 0.41 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2uwq s ARG 77 Cb -0.10 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.98 2uwq s ARG 77 CO 0.33 0.36 -0.04 -0.06 0.02 0.00 0.00 175.30 175.91 2uwq s PHE 78 N -0.68 3.03 -0.03 -0.53 0.40 -0.39 -1.92 117.98 117.85 2uwq s PHE 78 Ca 0.06 -0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2uwq s PHE 78 Cb -0.08 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.62 2uwq s PHE 78 CO 0.01 0.22 0.09 -0.06 0.70 0.00 0.00 175.22 176.17 2uwq s PHE 79 N -0.34 -0.10 -0.32 0.36 0.08 -0.78 0.92 117.98 117.81 2uwq s PHE 79 Ca 0.06 0.24 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 2uwq s PHE 79 Cb -0.12 0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.35 2uwq s PHE 79 CO 0.02 -0.05 0.54 -1.17 -0.10 0.00 0.00 175.22 174.47 2uwq s LEU 80 N 0.06 4.21 -0.09 -0.37 1.98 -0.82 0.13 118.68 123.78 2uwq s LEU 80 Ca -0.00 0.23 -0.04 0.00 -2.89 0.00 0.00 54.13 51.43 2uwq s LEU 80 Cb -0.01 -2.66 -0.04 0.00 0.66 0.00 0.00 46.19 44.15 2uwq s LEU 80 CO 0.00 -0.43 0.09 -0.13 -1.89 0.00 0.00 176.35 173.99 2uwq s ARG 81 N 2.43 3.23 -0.81 1.98 0.52 -0.68 -4.60 118.95 121.02 2uwq s ARG 81 Ca 0.21 -0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.05 2uwq s ARG 81 Cb -0.15 -3.00 0.21 0.00 0.52 0.00 0.00 34.95 32.52 2uwq s ARG 81 CO 0.12 0.73 0.71 -1.01 0.02 0.00 0.00 175.30 175.87 2uwq s HIS 82 N -1.02 3.73 -1.58 -0.53 3.76 -1.26 -3.13 115.29 115.26 2uwq s HIS 82 Ca 0.16 -2.43 0.13 0.00 -0.15 0.00 0.00 55.06 52.77 2uwq s HIS 82 Cb -0.12 -3.56 0.10 0.00 1.11 0.00 0.00 32.58 30.11 2uwq s HIS 82 CO 0.05 -0.91 0.90 -1.91 -0.85 0.00 0.00 174.74 172.03