#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 0.85 1.40 -0.02 0.00 -1.26 -4.95 105.19 101.22 2uwq n GLY -1 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 2uwq n GLY -1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2uwq n SER 0 N 1.37 -0.55 -4.11 1.61 2.88 -1.26 -5.07 113.62 108.48 2uwq n SER 0 Ca 0.00 -2.03 -0.34 0.00 -1.33 0.00 0.00 58.87 55.17 2uwq n SER 0 Cb 0.31 0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 2uwq n SER 0 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2uwq s MET 1 N -0.15 2.07 -0.01 -1.46 1.00 -1.26 -5.00 119.30 114.49 2uwq s MET 1 Ca 0.09 -1.57 -0.17 0.00 0.00 0.00 0.00 55.69 54.03 2uwq s MET 1 Cb 0.15 -3.26 -0.10 0.00 0.00 0.00 0.00 34.83 31.62 2uwq s MET 1 CO -0.05 -0.81 0.78 0.52 0.00 0.00 0.00 175.02 175.46 2uwq h MET 2 N 7.89 -0.60 -6.44 2.03 0.00 -2.03 -3.43 114.93 112.35 2uwq h MET 2 Ca -0.15 0.04 -0.53 0.00 0.00 0.00 0.00 59.70 59.06 2uwq h MET 2 Cb 1.05 0.14 0.02 0.00 0.00 0.00 0.00 31.60 32.80 2uwq h MET 2 CO 0.57 -0.40 1.03 -1.25 0.00 0.00 0.00 176.91 176.86 2uwq s PRO 3 N -3.64 4.19 0.00 -0.22 0.04 -1.26 -4.96 135.00 129.15 2uwq s PRO 3 Ca -0.09 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2uwq s PRO 3 Cb 0.01 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.89 2uwq s PRO 3 CO 0.27 -0.77 0.00 -1.33 0.04 0.00 0.00 177.00 175.22 2uwq n MET 4 N 5.82 0.00 -3.88 4.56 2.81 -1.26 -5.06 117.12 120.11 2uwq n MET 4 Ca 0.16 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.96 2uwq n MET 4 Cb 0.40 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.87 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 -1.48 0.16 0.01 2.03 -0.71 -1.26 -2.10 117.98 114.62 2uwq s PHE 5 Ca 0.00 -0.52 0.05 0.00 -1.04 0.00 0.00 56.93 55.42 2uwq s PHE 5 Cb 0.00 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 42.04 2uwq s PHE 5 CO 0.00 -0.92 -0.14 -1.17 -1.34 0.00 0.00 175.22 171.65 2uwq s LEU 6 N -2.95 2.07 -0.37 -1.99 0.20 -0.72 -4.94 118.68 109.99 2uwq s LEU 6 Ca 0.16 -0.32 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 2uwq s LEU 6 Cb -0.00 -0.69 0.03 0.00 -0.43 0.00 0.00 46.19 45.10 2uwq s LEU 6 CO 0.02 0.13 0.20 -0.89 -0.29 0.00 0.00 176.35 175.52 2uwq s THR 7 N -0.50 4.49 0.38 3.68 2.01 -1.26 -1.57 115.64 122.88 2uwq s THR 7 Ca 0.04 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2uwq s THR 7 Cb -0.06 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2uwq s THR 7 CO 0.00 -0.23 0.59 -0.69 -0.69 0.00 0.00 174.62 173.60 2uwq s VAL 8 N 1.54 4.72 -0.15 3.82 1.01 0.03 -1.24 120.40 130.13 2uwq s VAL 8 Ca 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2uwq s VAL 8 Cb -0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2uwq s VAL 8 CO 0.06 -0.49 -0.09 -0.31 0.00 0.00 0.00 175.10 174.27 2uwq s TYR 9 N -2.41 2.90 -0.02 5.22 4.12 0.35 0.16 117.35 127.68 2uwq s TYR 9 Ca 0.43 -0.56 -0.24 0.00 0.02 0.00 0.00 57.07 56.73 2uwq s TYR 9 Cb -0.10 -1.91 -0.04 0.00 -1.52 0.00 0.00 41.96 38.39 2uwq s TYR 9 CO 0.37 -0.19 0.71 -0.51 0.02 0.00 0.00 175.55 175.95 2uwq s LEU 10 N 0.47 4.37 0.00 -1.29 1.43 -0.73 -2.04 118.68 120.90 2uwq s LEU 10 Ca -0.07 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2uwq s LEU 10 Cb -0.15 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.96 2uwq s LEU 10 CO 0.04 -0.04 0.00 -0.24 0.23 0.00 0.00 176.35 176.33 2uwq n SER 11 N 3.31 -4.30 -3.54 2.29 2.88 -1.26 -3.63 113.62 109.37 2uwq n SER 11 Ca -0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.11 2uwq n SER 11 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -3.20 7.58 -4.67 -3.46 3.02 -1.26 -4.77 115.26 108.50 2uwq n ASN 12 Ca 0.00 -3.11 -0.30 0.00 -0.03 0.00 0.00 54.58 51.14 2uwq n ASN 12 Cb 0.00 -1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 37.69 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 0.54 3.93 0.00 6.41 2.47 -1.24 -5.06 114.94 121.99 2uwq s ASN 13 Ca 0.52 -1.50 0.00 0.00 0.42 0.00 0.00 52.86 52.30 2uwq s ASN 13 Cb 0.17 0.04 0.00 0.00 -1.45 0.00 0.00 41.25 40.01 2uwq s ASN 13 CO -0.08 -0.65 0.34 1.21 -3.72 0.00 0.00 177.10 174.21 2uwq n GLU 14 N -1.09 0.72 0.00 0.43 2.13 -1.26 -4.71 120.64 116.86 2uwq n GLU 14 Ca -0.11 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.37 2uwq n GLU 14 Cb 0.67 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.56 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2uwq n GLN 15 N -0.20 3.63 -3.63 5.31 3.00 -1.26 -4.99 117.38 119.24 2uwq n GLN 15 Ca 0.00 -0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.53 2uwq n GLN 15 Cb 0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 30.24 29.69 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 -0.54 3.23 0.07 1.08 2.46 -1.26 -5.05 115.29 115.28 2uwq s HIS 16 Ca 0.00 0.11 -0.06 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 -0.12 0.10 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.56 0.30 -0.16 3.88 -0.12 -1.26 -1.77 117.98 120.42 2uwq s PHE 17 Ca 0.07 -0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 56.15 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 -0.48 0.01 -0.08 -0.05 0.00 0.00 175.22 174.71 2uwq s THR 18 N -3.89 0.58 0.13 -4.49 -1.32 0.43 -4.87 115.64 102.22 2uwq s THR 18 Ca 0.06 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.12 2uwq s THR 18 Cb 0.06 -0.94 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 2uwq s THR 18 CO -0.10 -0.03 0.35 -1.83 -2.21 0.00 0.00 174.62 170.79 2uwq s GLU 19 N 1.85 3.58 -0.22 7.08 1.03 -1.26 -0.79 118.70 129.98 2uwq s GLU 19 Ca 0.01 -0.17 -0.22 0.00 0.03 0.00 0.00 54.97 54.61 2uwq s GLU 19 Cb -0.15 -2.88 0.06 0.00 -0.80 0.00 0.00 34.13 30.35 2uwq s GLU 19 CO -0.07 0.49 0.62 0.54 -1.33 0.00 0.00 175.26 175.51 2uwq s VAL 20 N -1.65 0.00 0.12 1.83 0.11 -0.61 -4.98 120.40 115.23 2uwq s VAL 20 Ca 0.40 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.24 2uwq s VAL 20 Cb -0.12 -0.88 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2uwq s VAL 20 CO 0.26 -0.01 0.61 -2.16 -3.33 0.00 0.00 175.10 170.47 2uwq s PRO 21 N 0.18 4.22 0.08 1.54 0.04 -1.26 -1.76 135.00 138.05 2uwq s PRO 21 Ca -0.01 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2uwq s PRO 21 Cb -0.04 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.39 2uwq s PRO 21 CO 0.02 0.58 0.43 0.14 0.04 0.00 0.00 177.00 178.20 2uwq s VAL 22 N -1.22 0.06 0.55 -0.36 -7.23 -0.89 -4.98 120.40 106.32 2uwq s VAL 22 Ca 0.33 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2uwq s VAL 22 Cb -0.19 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.73 2uwq s VAL 22 CO 0.20 -0.26 0.78 0.42 -0.31 0.00 0.00 175.10 175.94 2uwq s THR 23 N -3.07 2.81 -0.51 5.32 -4.23 -1.26 -4.11 115.64 110.59 2uwq s THR 23 Ca -0.02 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 2uwq s THR 23 Cb 0.00 -3.07 -0.16 0.00 1.34 0.00 0.00 72.50 70.62 2uwq s THR 23 CO -0.07 -0.05 2.80 -0.81 -0.54 0.00 0.00 174.62 175.96 2uwq n PRO 24 N -2.36 2.11 0.00 3.99 -0.04 -1.26 -3.10 135.00 134.34 2uwq n PRO 24 Ca 0.07 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2uwq n PRO 24 Cb 0.59 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2uwq n PRO 24 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2uwq n GLU 25 N 3.11 0.00 -3.22 0.54 0.28 -1.26 -5.04 120.64 115.06 2uwq n GLU 25 Ca 0.45 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 57.11 2uwq n GLU 25 Cb 0.51 -0.55 -0.06 0.00 1.43 0.00 0.00 31.44 32.78 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2uwq s THR 26 N -1.64 4.72 -0.03 3.84 -4.23 -1.18 -5.00 115.64 112.11 2uwq s THR 26 Ca 0.00 0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2uwq s THR 26 Cb 0.00 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.14 2uwq s THR 26 CO 0.00 0.08 0.02 0.27 -0.54 0.00 0.00 174.62 174.45 2uwq s ILE 27 N -1.66 0.05 0.00 2.99 -0.00 -1.26 -3.31 121.20 118.00 2uwq s ILE 27 Ca 0.45 0.19 0.00 0.00 -0.00 0.00 0.00 60.65 61.29 2uwq s ILE 27 Cb -0.14 -0.19 0.00 0.00 -0.00 0.00 0.00 42.46 42.13 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 0.21 -0.04 0.00 3.08 -1.89 -2.17 114.38 113.57 2uwq h ARG 29 Ca 0.00 -0.36 -0.14 0.00 0.07 0.00 0.00 59.98 59.55 2uwq h ARG 29 Cb 0.28 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2uwq h ARG 29 CO 0.00 1.17 -0.60 -0.44 -1.07 0.00 0.00 179.97 179.04 2uwq h ASP 30 N -0.43 0.15 0.19 7.04 5.19 -1.96 0.37 116.42 126.97 2uwq h ASP 30 Ca -0.26 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 2uwq h ASP 30 Cb 1.64 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.11 2uwq h ASP 30 CO 0.04 0.71 -0.09 0.58 -3.12 0.00 0.00 179.24 177.37 2uwq h VAL 31 N 0.10 0.91 0.00 -1.35 2.07 -1.91 -1.20 116.25 114.86 2uwq h VAL 31 Ca -0.01 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2uwq h VAL 31 Cb 1.08 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2uwq h VAL 31 CO 0.09 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 178.38 2uwq h VAL 32 N -0.53 1.52 -0.99 2.57 2.07 -1.37 -1.33 116.25 118.19 2uwq h VAL 32 Ca -0.03 -1.55 0.15 0.00 0.82 0.00 0.00 66.70 66.09 2uwq h VAL 32 Cb 0.40 2.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.66 2uwq h VAL 32 CO 0.04 0.40 0.62 0.44 0.02 0.00 0.00 177.57 179.09 2uwq h ASP 33 N -0.66 0.83 0.56 0.57 3.45 -0.36 0.28 116.42 121.08 2uwq h ASP 33 Ca -0.00 0.06 -0.29 0.00 0.43 0.00 0.00 57.03 57.24 2uwq h ASP 33 Cb 0.66 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 2uwq h ASP 33 CO 0.00 0.39 -1.35 -0.07 -1.57 0.00 0.00 179.24 176.63 2uwq h LEU 34 N 0.86 0.43 -4.06 1.55 3.38 -1.27 -3.34 115.31 112.86 2uwq h LEU 34 Ca 0.52 -0.50 -0.63 0.00 0.09 0.00 0.00 57.88 57.36 2uwq h LEU 34 Cb 0.69 -0.14 -0.35 0.00 0.09 0.00 0.00 40.66 40.95 2uwq h LEU 34 CO -0.30 1.40 0.12 0.00 0.09 0.00 0.00 178.44 179.76 2uwq n LYS 36 N -0.76 0.98 -4.12 0.00 4.81 0.91 -4.72 118.16 115.26 2uwq n LYS 36 Ca 0.53 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.87 2uwq n LYS 36 Cb 0.73 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.69 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 -1.87 1.05 -0.85 1.64 2.02 -1.26 -4.94 118.70 114.49 2uwq s GLU 37 Ca 0.00 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 53.34 2uwq s GLU 37 Cb 0.00 0.28 -0.18 0.00 0.10 0.00 0.00 34.13 34.33 2uwq s GLU 37 CO 0.00 -0.34 2.22 -0.35 0.02 0.00 0.00 175.26 176.82 2uwq n PRO 38 N -0.17 0.33 -1.46 0.39 -0.04 -1.26 -3.22 135.00 129.57 2uwq n PRO 38 Ca -0.04 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 2uwq n PRO 38 Cb 0.64 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 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 6.34 -0.54 3.17 0.55 0.00 -1.26 -5.09 105.19 108.37 2uwq n GLY 39 Ca 0.45 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.57 2.66 0.07 1.61 2.56 -1.20 -5.13 118.70 117.71 2uwq s GLU 40 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 54.97 54.29 2uwq s GLU 40 Cb 0.00 -2.06 -0.03 0.00 2.00 0.00 0.00 34.13 34.04 2uwq s GLU 40 CO 0.00 0.16 -0.21 -1.12 -0.56 0.00 0.00 175.26 173.53 2uwq s SER 41 N 0.37 2.55 -0.26 -1.70 0.01 -1.26 -4.95 113.70 108.46 2uwq s SER 41 Ca -0.17 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 2uwq s SER 41 Cb -0.17 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.90 2uwq s SER 41 CO 0.07 0.12 0.10 -0.67 0.41 0.00 0.00 173.24 173.27 2uwq n ASP 42 N 1.46 -4.89 -3.84 2.44 2.03 -1.26 -4.86 116.55 107.63 2uwq n ASP 42 Ca -0.18 1.39 -0.09 0.00 0.52 0.00 0.00 54.79 56.43 2uwq n ASP 42 Cb 0.53 -5.28 -0.07 0.00 -0.72 0.00 0.00 41.12 35.59 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 -3.87 0.72 0.05 0.00 -3.43 -1.23 -4.70 115.29 102.82 2uwq s HIS 44 Ca 0.07 -0.90 0.02 0.00 -0.80 0.00 0.00 55.06 53.45 2uwq s HIS 44 Cb 0.04 -0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 30.70 2uwq s HIS 44 CO -0.09 -0.21 0.07 -1.17 -2.00 0.00 0.00 174.74 171.33 2uwq s LEU 45 N -2.76 3.78 0.16 5.38 2.96 -0.57 -1.83 118.68 125.79 2uwq s LEU 45 Ca 0.07 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 2uwq s LEU 45 Cb 0.04 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2uwq s LEU 45 CO -0.06 0.22 -0.07 0.00 -1.32 0.00 0.00 176.35 175.12 2uwq s ALA 46 N -1.29 3.02 -0.21 5.97 0.00 0.44 0.74 121.76 130.43 2uwq s ALA 46 Ca 0.26 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2uwq s ALA 46 Cb -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.20 2uwq s ALA 46 CO 0.18 0.52 -0.04 -1.83 0.00 0.00 0.00 175.76 174.59 2uwq s GLU 47 N -2.69 1.45 -0.14 0.00 -1.05 0.11 -1.89 118.70 114.48 2uwq s GLU 47 Ca 0.25 -0.78 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 2uwq s GLU 47 Cb -0.10 -2.37 0.02 0.00 -0.44 0.00 0.00 34.13 31.25 2uwq s GLU 47 CO 0.16 -0.56 -0.15 0.08 0.95 0.00 0.00 175.26 175.74 2uwq s VAL 48 N 1.53 1.58 -0.10 1.83 1.01 -0.71 0.24 120.40 125.77 2uwq s VAL 48 Ca -0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2uwq s VAL 48 Cb -0.18 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.78 2uwq s VAL 48 CO -0.07 0.46 0.23 0.86 0.00 0.00 0.00 175.10 176.58 2uwq s TRP 49 N 1.37 -0.32 -1.45 5.22 -0.00 0.13 -1.10 118.94 122.80 2uwq s TRP 49 Ca 0.03 0.77 -0.01 0.00 -0.00 0.00 0.00 56.10 56.89 2uwq s TRP 49 Cb -0.13 -0.01 0.01 0.00 -0.00 0.00 0.00 33.47 33.34 2uwq s TRP 49 CO -0.09 -0.25 0.35 0.00 -0.00 0.00 0.00 176.95 176.96 2uwq n GLY 51 N -2.08 1.18 3.33 0.00 0.00 -1.26 -4.97 105.19 101.39 2uwq n GLY 51 Ca -0.30 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.08 6.43 -0.16 1.61 0.01 0.24 -5.04 113.70 113.72 2uwq s SER 52 Ca 0.00 -2.09 -0.04 0.00 1.31 0.00 0.00 55.95 55.12 2uwq s SER 52 Cb 0.00 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2uwq s SER 52 CO 0.00 -0.80 -0.02 -1.83 0.41 0.00 0.00 173.24 171.00 2uwq s GLU 53 N 1.26 3.71 0.03 12.44 1.03 -1.26 0.21 118.70 136.12 2uwq s GLU 53 Ca 0.11 -0.49 -0.10 0.00 0.03 0.00 0.00 54.97 54.52 2uwq s GLU 53 Cb -0.21 -2.96 0.01 0.00 -0.80 0.00 0.00 34.13 30.17 2uwq s GLU 53 CO -0.02 0.26 0.21 1.03 -1.33 0.00 0.00 175.26 175.42 2uwq s ARG 54 N 0.33 0.66 -0.09 -4.83 3.00 0.14 -4.97 118.95 113.19 2uwq s ARG 54 Ca -0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 55.73 54.90 2uwq s ARG 54 Cb -0.14 0.28 -0.02 0.00 0.00 0.00 0.00 34.95 35.07 2uwq s ARG 54 CO 0.02 -0.19 1.07 -1.25 0.00 0.00 0.00 175.30 174.96 2uwq s PRO 55 N -2.16 4.40 -0.16 3.54 0.04 -1.26 -0.71 135.00 138.68 2uwq s PRO 55 Ca -0.08 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 2uwq s PRO 55 Cb -0.03 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2uwq s PRO 55 CO -0.02 -0.36 0.03 0.14 0.04 0.00 0.00 177.00 176.83 2uwq s VAL 56 N 2.09 4.47 0.23 -0.36 -7.23 0.23 -4.89 120.40 114.93 2uwq s VAL 56 Ca 0.51 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 2uwq s VAL 56 Cb -0.20 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 33.67 2uwq s VAL 56 CO 0.19 0.50 0.98 0.00 -0.31 0.00 0.00 175.10 176.46 2uwq s ALA 57 N 0.14 3.34 -0.48 1.32 0.00 -1.26 -1.51 121.76 123.31 2uwq s ALA 57 Ca 0.03 0.67 0.16 0.00 0.00 0.00 0.00 51.96 52.82 2uwq s ALA 57 Cb -0.13 -3.25 0.82 0.00 0.00 0.00 0.00 23.12 20.57 2uwq s ALA 57 CO 0.01 0.10 1.49 -0.25 0.00 0.00 0.00 175.76 177.11 2uwq n ASP 58 N 1.64 0.40 -1.63 0.00 9.92 -1.26 -1.47 116.55 124.16 2uwq n ASP 58 Ca -0.01 0.67 0.07 0.00 -0.53 0.00 0.00 54.79 54.99 2uwq n ASP 58 Cb 0.47 -0.73 0.34 0.00 -0.64 0.00 0.00 41.12 40.56 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2uwq n ASN 59 N -2.02 4.85 -4.70 -2.24 4.13 -1.26 -3.01 115.26 111.00 2uwq n ASN 59 Ca -0.00 -2.67 -0.38 0.00 1.68 0.00 0.00 54.58 53.21 2uwq n ASN 59 Cb 0.06 -0.62 -0.07 0.00 -1.54 0.00 0.00 39.78 37.61 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 -2.30 4.25 0.36 3.52 2.02 -0.54 -4.89 118.70 121.12 2uwq s GLU 60 Ca 0.47 0.27 -0.28 0.00 0.02 0.00 0.00 54.97 55.44 2uwq s GLU 60 Cb 0.34 -3.48 -0.11 0.00 0.10 0.00 0.00 34.13 30.98 2uwq s GLU 60 CO 0.16 0.08 1.45 1.03 0.02 0.00 0.00 175.26 178.01 2uwq s ARG 61 N 0.91 4.16 0.00 1.61 0.52 -1.26 -3.15 118.95 121.74 2uwq s ARG 61 Ca 0.21 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 2uwq s ARG 61 Cb -0.14 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2uwq s ARG 61 CO 0.08 -0.47 0.44 -1.33 0.02 0.00 0.00 175.30 174.04 2uwq n MET 62 N 0.65 0.00 -0.01 3.54 2.81 -1.21 0.60 117.12 123.51 2uwq n MET 62 Ca 0.01 0.44 0.11 0.00 -1.81 0.00 0.00 57.70 56.45 2uwq n MET 62 Cb 0.40 -0.80 0.53 0.00 -0.71 0.00 0.00 33.22 32.64 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2uwq h PHE 63 N 0.00 0.32 -0.87 2.03 0.04 -1.90 -0.37 116.94 116.20 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 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 37.98 2uwq h PHE 63 CO -0.14 0.17 0.56 -0.44 -0.60 0.00 0.00 178.31 177.86 2uwq h ASP 64 N 0.32 0.67 0.96 2.17 5.19 -0.19 0.61 116.42 126.15 2uwq h ASP 64 Ca 0.21 0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.45 2uwq h ASP 64 Cb 0.42 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2uwq h ASP 64 CO -0.05 0.36 -0.95 0.58 -3.12 0.00 0.00 179.24 176.06 2uwq h VAL 65 N 0.72 1.68 0.00 -1.35 2.07 0.14 -3.14 116.25 116.37 2uwq h VAL 65 Ca 0.42 -3.26 0.00 0.00 0.82 0.00 0.00 66.70 64.69 2uwq h VAL 65 Cb 0.62 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2uwq h VAL 65 CO -0.19 0.93 0.00 -0.11 0.02 0.00 0.00 177.57 178.22 2uwq n LEU 66 N -3.40 0.00 0.03 2.57 7.94 0.13 -3.21 117.00 121.06 2uwq n LEU 66 Ca -0.00 0.43 -0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2uwq n LEU 66 Cb 0.90 -0.43 -0.08 0.00 0.53 0.00 0.00 43.42 44.34 2uwq n LEU 66 CO 0.46 -0.03 -0.30 1.67 -1.11 0.00 0.00 177.39 178.08 2uwq n GLN 67 N -1.43 0.62 0.15 1.96 7.27 0.17 -4.03 117.38 122.09 2uwq n GLN 67 Ca 0.09 0.22 -0.00 0.00 0.07 0.00 0.00 57.00 57.38 2uwq n GLN 67 Cb 0.28 -1.81 0.22 0.00 2.41 0.00 0.00 30.24 31.35 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 0.00 -0.09 3.69 0.11 -1.62 -3.17 114.38 113.30 2uwq h ARG 68 Ca -0.16 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.91 2uwq h ARG 68 Cb 1.58 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.66 2uwq h ARG 68 CO 0.05 0.55 0.03 0.74 0.10 0.00 0.00 179.97 181.44 2uwq h PHE 69 N 0.00 0.13 0.00 4.08 -1.00 -1.70 -3.49 116.94 114.95 2uwq h PHE 69 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2uwq h PHE 69 Cb 0.98 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.50 2uwq h PHE 69 CO 0.00 0.24 0.00 0.41 -1.61 0.00 0.00 178.31 177.35 2uwq n GLY 70 N -0.69 0.75 0.34 -1.45 0.00 -1.20 -4.85 105.19 98.08 2uwq n GLY 70 Ca -0.06 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 1.05 -0.88 1.61 0.02 -1.91 -3.32 113.55 110.12 2uwq h SER 71 Ca 0.00 -0.17 -0.70 0.00 -0.84 0.00 0.00 61.79 60.08 2uwq h SER 71 Cb 0.00 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.18 2uwq h SER 71 CO 0.00 0.94 2.28 0.00 -1.14 0.00 0.00 176.83 178.91 2uwq n GLN 72 N -4.27 3.17 0.17 3.45 6.02 -1.26 -4.71 117.38 119.94 2uwq n GLN 72 Ca 0.07 -3.23 0.03 0.00 -0.01 0.00 0.00 57.00 53.86 2uwq n GLN 72 Cb 0.20 -3.37 0.23 0.00 1.02 0.00 0.00 30.24 28.32 2uwq n GLN 72 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2uwq h ARG 73 N 7.12 0.00 -1.14 -1.09 0.11 -1.79 -3.14 114.38 114.46 2uwq h ARG 73 Ca 0.45 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.97 2uwq h ARG 73 Cb 0.81 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.65 2uwq h ARG 73 CO 1.52 0.47 0.73 0.09 0.10 0.00 0.00 179.97 182.88 2uwq n ASN 74 N -3.50 7.01 0.00 0.08 4.13 -1.26 -4.02 115.26 117.70 2uwq n ASN 74 Ca 0.00 -3.56 0.00 0.00 1.68 0.00 0.00 54.58 52.70 2uwq n ASN 74 Cb 0.59 -0.98 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 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 -0.58 0.87 -3.87 3.52 4.07 -1.18 -5.09 120.64 118.37 2uwq n GLU 75 Ca 0.53 -0.75 -0.21 0.00 -0.06 0.00 0.00 57.16 56.67 2uwq n GLU 75 Cb 0.72 -0.70 -0.03 0.00 -0.06 0.00 0.00 31.44 31.36 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 -0.32 4.10 -0.05 6.31 0.11 -1.26 -4.34 120.40 124.96 2uwq s VAL 76 Ca 0.00 -1.28 0.06 0.00 -2.93 0.00 0.00 61.98 57.83 2uwq s VAL 76 Cb 0.00 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2uwq s VAL 76 CO 0.00 -0.25 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.16 2uwq s ARG 77 N -3.97 2.33 -0.08 1.54 0.52 -0.26 -4.86 118.95 114.17 2uwq s ARG 77 Ca 0.38 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2uwq s ARG 77 Cb -0.07 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2uwq s ARG 77 CO 0.27 0.39 -0.08 -0.06 0.02 0.00 0.00 175.30 175.84 2uwq s PHE 78 N -0.21 2.91 -0.02 -0.53 0.08 -0.38 -1.74 117.98 118.09 2uwq s PHE 78 Ca -0.01 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 2uwq s PHE 78 Cb -0.13 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2uwq s PHE 78 CO 0.03 0.24 0.07 -0.06 -0.10 0.00 0.00 175.22 175.39 2uwq s PHE 79 N -0.60 -0.02 -0.22 0.36 0.40 -0.79 0.13 117.98 117.25 2uwq s PHE 79 Ca 0.09 0.05 -0.18 0.00 -0.60 0.00 0.00 56.93 56.29 2uwq s PHE 79 Cb -0.12 -0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.37 2uwq s PHE 79 CO 0.02 -0.09 0.48 -1.17 0.70 0.00 0.00 175.22 175.16 2uwq s LEU 80 N -0.36 4.12 -0.40 -0.37 1.98 -0.87 -0.42 118.68 122.37 2uwq s LEU 80 Ca -0.04 0.58 -0.12 0.00 -2.89 0.00 0.00 54.13 51.66 2uwq s LEU 80 Cb -0.03 -2.64 0.04 0.00 0.66 0.00 0.00 46.19 44.22 2uwq s LEU 80 CO 0.00 -0.18 0.25 -0.13 -1.89 0.00 0.00 176.35 174.40 2uwq s ARG 81 N 1.75 2.84 -0.57 1.98 0.52 -0.76 -4.66 118.95 120.06 2uwq s ARG 81 Ca 0.22 -1.14 -0.24 0.00 -0.52 0.00 0.00 55.73 54.05 2uwq s ARG 81 Cb -0.15 -3.84 0.05 0.00 0.52 0.00 0.00 34.95 31.53 2uwq s ARG 81 CO 0.09 -0.77 0.93 -1.01 0.02 0.00 0.00 175.30 174.55 2uwq s HIS 82 N 1.58 2.78 0.00 -0.53 3.76 -1.26 -3.56 115.29 118.06 2uwq s HIS 82 Ca 0.03 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2uwq s HIS 82 Cb -0.20 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.41 2uwq s HIS 82 CO 0.07 -1.39 0.04 -1.91 -0.85 0.00 0.00 174.74 170.70