#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 -2.20 1.37 -0.02 0.00 -1.26 -4.94 105.19 98.13 2uwq n GLY -1 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.36 0.61 -4.57 1.61 2.88 -1.26 -4.94 113.62 108.32 2uwq n SER 0 Ca 0.00 0.24 -0.42 0.00 -1.33 0.00 0.00 58.87 57.37 2uwq n SER 0 Cb 0.00 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.37 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 -2.00 3.75 -0.04 -1.46 1.00 -1.26 -4.81 119.30 114.48 2uwq s MET 1 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 55.69 54.05 2uwq s MET 1 Cb 0.00 -5.44 -0.06 0.00 0.00 0.00 0.00 34.83 29.33 2uwq s MET 1 CO 0.00 -2.28 0.51 0.52 0.00 0.00 0.00 175.02 173.78 2uwq h MET 2 N 8.76 -0.38 -7.28 2.03 0.00 -1.92 -3.46 114.93 112.69 2uwq h MET 2 Ca 0.32 0.03 -0.52 0.00 0.00 0.00 0.00 59.70 59.52 2uwq h MET 2 Cb 0.94 0.09 0.19 0.00 0.00 0.00 0.00 31.60 32.82 2uwq h MET 2 CO 1.44 -0.26 0.24 -1.25 0.00 0.00 0.00 176.91 177.08 2uwq s PRO 3 N -2.86 1.20 0.00 -0.22 0.04 -1.26 -5.05 135.00 126.84 2uwq s PRO 3 Ca -0.06 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2uwq s PRO 3 Cb 0.01 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2uwq s PRO 3 CO 0.17 -2.49 0.00 -1.33 0.04 0.00 0.00 177.00 173.39 2uwq n MET 4 N -4.12 0.00 -4.17 4.56 2.81 -1.26 -5.10 117.12 109.84 2uwq n MET 4 Ca 0.12 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 2uwq n MET 4 Cb 0.52 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 -2.65 1.20 -0.04 2.03 -0.12 -1.26 -2.38 117.98 114.76 2uwq s PHE 5 Ca 0.00 -1.35 0.01 0.00 -0.05 0.00 0.00 56.93 55.53 2uwq s PHE 5 Cb 0.00 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2uwq s PHE 5 CO 0.00 -0.84 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.13 2uwq s LEU 6 N -3.21 1.30 -0.37 -1.99 0.20 -0.71 -4.92 118.68 108.98 2uwq s LEU 6 Ca 0.36 -0.09 -0.12 0.00 0.69 0.00 0.00 54.13 54.96 2uwq s LEU 6 Cb 0.03 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.45 2uwq s LEU 6 CO 0.17 -0.07 0.24 -0.89 -0.29 0.00 0.00 176.35 175.52 2uwq s THR 7 N 0.90 4.94 0.36 3.68 2.01 -1.26 -1.38 115.64 124.89 2uwq s THR 7 Ca -0.11 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 2uwq s THR 7 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2uwq s THR 7 CO -0.00 -0.17 0.58 -0.69 -0.69 0.00 0.00 174.62 173.64 2uwq s VAL 8 N 1.64 5.07 -0.15 3.82 1.01 0.47 -1.31 120.40 130.94 2uwq s VAL 8 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2uwq s VAL 8 Cb -0.18 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2uwq s VAL 8 CO 0.08 -0.59 -0.09 -0.31 0.00 0.00 0.00 175.10 174.19 2uwq s TYR 9 N -2.37 2.89 -0.05 5.22 4.12 0.37 0.19 117.35 127.71 2uwq s TYR 9 Ca 0.41 -0.60 -0.21 0.00 0.02 0.00 0.00 57.07 56.70 2uwq s TYR 9 Cb -0.10 -1.91 -0.05 0.00 -1.52 0.00 0.00 41.96 38.39 2uwq s TYR 9 CO 0.37 -0.21 0.59 -0.51 0.02 0.00 0.00 175.55 175.81 2uwq s LEU 10 N 0.51 4.35 0.00 -1.29 1.43 -0.53 -2.02 118.68 121.12 2uwq s LEU 10 Ca -0.07 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2uwq s LEU 10 Cb -0.15 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2uwq s LEU 10 CO 0.04 0.02 0.00 -0.24 0.23 0.00 0.00 176.35 176.39 2uwq n SER 11 N 3.26 -0.80 -4.52 2.29 2.88 -1.26 -4.22 113.62 111.25 2uwq n SER 11 Ca -0.05 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.14 2uwq n SER 11 Cb 0.51 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.84 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 -3.57 0.50 -4.60 -3.46 4.13 -1.26 -4.80 115.26 102.20 2uwq n ASN 12 Ca 0.00 -0.23 -0.45 0.00 1.68 0.00 0.00 54.58 55.58 2uwq n ASN 12 Cb 0.00 -1.04 -0.02 0.00 -1.54 0.00 0.00 39.78 37.18 2uwq n ASN 12 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2uwq n ASN 13 N 11.35 1.55 0.00 6.41 6.94 -1.26 -4.66 115.26 135.59 2uwq n ASN 13 Ca 0.59 1.17 0.00 0.00 -0.02 0.00 0.00 54.58 56.32 2uwq n ASN 13 Cb 0.19 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.31 2uwq n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2uwq n GLU 14 N 0.98 0.00 0.00 -3.83 4.07 -1.26 -4.97 120.64 115.63 2uwq n GLU 14 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2uwq n GLU 14 Cb 0.31 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.69 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2uwq n GLN 15 N 0.00 0.00 -3.63 5.31 6.02 -1.26 -5.04 117.38 118.77 2uwq n GLN 15 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2uwq n GLN 15 Cb 0.00 -0.31 -0.11 0.00 1.02 0.00 0.00 30.24 30.84 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 0.00 3.23 0.07 1.08 2.46 -1.26 -5.05 115.29 115.82 2uwq s HIS 16 Ca 0.00 0.10 -0.05 0.00 0.47 0.00 0.00 55.06 55.57 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 1.53 0.30 -0.15 3.88 -0.71 -1.26 -1.45 117.98 120.13 2uwq s PHE 17 Ca 0.07 -0.78 -0.02 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 0.08 -0.47 0.02 -0.08 -1.34 0.00 0.00 175.22 173.43 2uwq s THR 18 N -3.88 0.46 0.09 -4.49 -1.32 0.50 -4.86 115.64 102.14 2uwq s THR 18 Ca 0.06 -0.31 0.01 0.00 -1.21 0.00 0.00 61.69 60.25 2uwq s THR 18 Cb 0.06 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2uwq s THR 18 CO -0.11 -0.04 0.20 -1.83 -2.21 0.00 0.00 174.62 170.64 2uwq s GLU 19 N 1.91 3.32 -0.09 7.08 4.04 -1.26 -0.40 118.70 133.31 2uwq s GLU 19 Ca 0.01 -0.54 -0.11 0.00 0.04 0.00 0.00 54.97 54.37 2uwq s GLU 19 Cb -0.15 -2.95 0.03 0.00 0.02 0.00 0.00 34.13 31.07 2uwq s GLU 19 CO -0.07 0.57 0.30 0.08 -1.84 0.00 0.00 175.26 174.30 2uwq s VAL 20 N -1.56 0.02 -0.60 1.83 1.01 -0.48 -4.96 120.40 115.66 2uwq s VAL 20 Ca 0.34 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 2uwq s VAL 20 Cb -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.81 2uwq s VAL 20 CO 0.27 -0.08 1.21 -2.16 0.00 0.00 0.00 175.10 174.33 2uwq s PRO 21 N -0.26 3.47 -0.04 2.72 0.04 -1.26 -1.74 135.00 137.94 2uwq s PRO 21 Ca -0.04 0.19 0.07 0.00 0.04 0.00 0.00 61.00 61.26 2uwq s PRO 21 Cb -0.03 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2uwq s PRO 21 CO 0.01 -1.74 -0.25 0.54 0.04 0.00 0.00 177.00 175.60 2uwq s VAL 22 N 5.06 2.14 0.54 -0.36 0.11 -1.00 -4.98 120.40 121.91 2uwq s VAL 22 Ca 0.42 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2uwq s VAL 22 Cb -0.07 -1.76 0.03 0.00 -1.53 0.00 0.00 36.38 33.04 2uwq s VAL 22 CO 0.24 0.58 0.76 0.42 -3.33 0.00 0.00 175.10 173.77 2uwq s THR 23 N -0.42 2.87 -0.89 5.04 -4.23 -1.26 -4.18 115.64 112.58 2uwq s THR 23 Ca 0.04 -0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 59.83 2uwq s THR 23 Cb -0.12 -3.08 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 2uwq s THR 23 CO 0.01 -0.05 2.07 -2.65 -0.54 0.00 0.00 174.62 173.46 2uwq n PRO 24 N -2.31 1.98 0.00 3.99 -0.02 -1.26 -3.14 135.00 134.23 2uwq n PRO 24 Ca 0.07 -1.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 2uwq n PRO 24 Cb 0.59 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2uwq n PRO 24 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2uwq n GLU 25 N 4.75 0.00 -3.30 -0.52 -0.58 -1.26 -5.06 120.64 114.66 2uwq n GLU 25 Ca 0.45 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.85 2uwq n GLU 25 Cb 0.18 -0.08 -0.06 0.00 -0.57 0.00 0.00 31.44 30.91 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 -1.87 4.81 -0.03 2.62 -4.23 -1.19 -5.00 115.64 110.75 2uwq s THR 26 Ca 0.00 0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 61.31 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 0.07 0.02 0.27 -0.54 0.00 0.00 174.62 174.44 2uwq s ILE 27 N -1.66 0.04 0.00 2.99 -0.00 -1.26 -3.73 121.20 117.58 2uwq s ILE 27 Ca 0.44 0.19 0.00 0.00 -0.00 0.00 0.00 60.65 61.28 2uwq s ILE 27 Cb -0.13 -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 0.22 -0.00 0.00 3.08 -1.90 -2.17 114.38 113.61 2uwq h ARG 29 Ca 0.00 -0.38 -0.16 0.00 0.07 0.00 0.00 59.98 59.52 2uwq h ARG 29 Cb 0.29 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2uwq h ARG 29 CO 0.00 1.18 -0.73 -0.44 -1.07 0.00 0.00 179.97 178.91 2uwq h ASP 30 N -0.36 0.05 0.18 7.04 3.45 -1.96 0.16 116.42 124.98 2uwq h ASP 30 Ca -0.30 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.12 2uwq h ASP 30 Cb 1.72 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.47 2uwq h ASP 30 CO 0.04 0.76 -0.09 0.58 -1.57 0.00 0.00 179.24 178.96 2uwq h VAL 31 N 0.02 0.93 -0.11 -1.35 2.07 -1.91 -1.53 116.25 114.37 2uwq h VAL 31 Ca -0.01 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.66 2uwq h VAL 31 Cb 1.29 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2uwq h VAL 31 CO 0.10 0.16 -0.51 0.58 0.02 0.00 0.00 177.57 177.92 2uwq h VAL 32 N -0.60 1.36 -0.97 2.57 2.07 -1.43 -1.67 116.25 117.58 2uwq h VAL 32 Ca -0.03 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.72 2uwq h VAL 32 Cb 0.44 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 2uwq h VAL 32 CO 0.04 0.55 0.63 -0.78 0.02 0.00 0.00 177.57 178.03 2uwq h ASP 33 N 0.15 1.03 0.53 0.57 1.82 -0.76 0.11 116.42 119.87 2uwq h ASP 33 Ca -0.03 -0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.31 2uwq h ASP 33 Cb 1.15 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.93 2uwq h ASP 33 CO 0.11 0.70 -1.40 -0.07 -1.61 0.00 0.00 179.24 176.96 2uwq h LEU 34 N 1.20 0.42 -3.87 2.28 3.38 -1.32 -3.33 115.31 114.06 2uwq h LEU 34 Ca 0.39 -0.51 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 2uwq h LEU 34 Cb 0.04 -0.14 -0.28 0.00 0.09 0.00 0.00 40.66 40.38 2uwq h LEU 34 CO -0.14 1.41 0.48 0.00 0.09 0.00 0.00 178.44 180.29 2uwq n LYS 36 N -1.03 0.55 -3.61 0.00 4.81 0.35 -4.78 118.16 114.46 2uwq n LYS 36 Ca 0.55 -0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.76 2uwq n LYS 36 Cb 1.15 -0.03 -0.06 0.00 0.02 0.00 0.00 35.03 36.12 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 -2.52 0.99 -0.83 1.64 2.02 -1.26 -5.00 118.70 113.75 2uwq s GLU 37 Ca 0.02 -0.28 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 2uwq s GLU 37 Cb -0.00 0.45 -0.20 0.00 0.10 0.00 0.00 34.13 34.48 2uwq s GLU 37 CO 0.02 -0.35 2.38 -2.30 0.02 0.00 0.00 175.26 175.03 2uwq n PRO 38 N 0.44 0.41 -0.23 0.39 -0.02 -1.26 -1.60 135.00 133.13 2uwq n PRO 38 Ca -0.18 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 2uwq n PRO 38 Cb 0.60 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 6.24 0.49 3.63 -1.23 0.00 -1.26 -5.07 105.19 107.99 2uwq n GLY 39 Ca 0.54 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 0.42 4.13 -0.16 1.61 2.56 -0.63 -5.04 118.70 121.60 2uwq s GLU 40 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 54.97 55.57 2uwq s GLU 40 Cb 0.00 -3.64 0.02 0.00 2.00 0.00 0.00 34.13 32.52 2uwq s GLU 40 CO 0.00 -0.39 -0.15 -1.12 -0.56 0.00 0.00 175.26 173.03 2uwq s SER 41 N 1.41 2.88 0.00 -1.70 0.01 -1.26 -4.96 113.70 110.08 2uwq s SER 41 Ca 0.27 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 2uwq s SER 41 Cb -0.16 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2uwq s SER 41 CO 0.09 -0.05 0.02 -0.67 0.41 0.00 0.00 173.24 173.04 2uwq n ASP 42 N 4.72 -8.79 -3.68 2.44 4.64 -1.26 -4.86 116.55 109.76 2uwq n ASP 42 Ca -0.18 1.83 -0.15 0.00 -1.38 0.00 0.00 54.79 54.92 2uwq n ASP 42 Cb 0.50 -5.24 -0.08 0.00 -1.04 0.00 0.00 41.12 35.26 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2uwq s HIS 44 N -0.73 2.19 0.04 0.00 -3.43 -1.15 -4.72 115.29 107.49 2uwq s HIS 44 Ca -0.08 -0.37 0.01 0.00 -0.80 0.00 0.00 55.06 53.82 2uwq s HIS 44 Cb -0.03 -0.99 -0.04 0.00 -1.43 0.00 0.00 32.58 30.08 2uwq s HIS 44 CO 0.04 0.60 0.10 -1.17 -2.00 0.00 0.00 174.74 172.32 2uwq s LEU 45 N -3.25 3.92 0.15 5.38 2.96 -0.55 -1.83 118.68 125.46 2uwq s LEU 45 Ca 0.26 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 2uwq s LEU 45 Cb -0.05 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2uwq s LEU 45 CO 0.12 0.22 -0.05 0.00 -1.32 0.00 0.00 176.35 175.32 2uwq s ALA 46 N -1.32 3.07 -0.21 5.97 0.00 0.69 0.79 121.76 130.75 2uwq s ALA 46 Ca 0.27 -1.36 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 2uwq s ALA 46 Cb -0.12 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.15 2uwq s ALA 46 CO 0.19 0.53 -0.04 -1.83 0.00 0.00 0.00 175.76 174.61 2uwq s GLU 47 N -2.69 1.48 -0.12 0.00 -1.05 0.70 -1.81 118.70 115.21 2uwq s GLU 47 Ca 0.25 -0.80 0.02 0.00 -0.15 0.00 0.00 54.97 54.29 2uwq s GLU 47 Cb -0.10 -2.39 0.01 0.00 -0.44 0.00 0.00 34.13 31.22 2uwq s GLU 47 CO 0.16 -0.56 -0.16 0.08 0.95 0.00 0.00 175.26 175.74 2uwq s VAL 48 N 1.51 1.59 -0.10 1.83 1.01 -0.69 0.49 120.40 126.04 2uwq s VAL 48 Ca -0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2uwq s VAL 48 Cb -0.18 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 34.81 2uwq s VAL 48 CO -0.07 0.46 0.23 -1.66 0.00 0.00 0.00 175.10 174.05 2uwq s TRP 49 N 0.99 -0.30 -1.48 5.22 -2.14 0.20 -0.70 118.94 120.74 2uwq s TRP 49 Ca -0.06 0.73 -0.13 0.00 2.66 0.00 0.00 56.10 59.30 2uwq s TRP 49 Cb -0.15 0.01 0.09 0.00 -3.10 0.00 0.00 33.47 30.33 2uwq s TRP 49 CO -0.02 -0.23 0.73 0.00 -2.66 0.00 0.00 176.95 174.77 2uwq n GLY 51 N -1.41 1.83 3.46 0.00 0.00 -1.26 -4.99 105.19 102.83 2uwq n GLY 51 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.23 6.35 -0.15 1.61 0.01 0.22 -5.01 113.70 113.50 2uwq s SER 52 Ca 0.00 -1.37 -0.10 0.00 1.31 0.00 0.00 55.95 55.79 2uwq s SER 52 Cb 0.00 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 2uwq s SER 52 CO 0.00 -1.33 0.19 -1.83 0.41 0.00 0.00 173.24 170.68 2uwq s GLU 53 N 3.70 3.91 0.02 12.44 -1.05 -1.26 -0.63 118.70 135.83 2uwq s GLU 53 Ca 0.28 -0.07 -0.10 0.00 -0.15 0.00 0.00 54.97 54.92 2uwq s GLU 53 Cb -0.11 -3.32 0.01 0.00 -0.44 0.00 0.00 34.13 30.26 2uwq s GLU 53 CO 0.02 0.50 0.21 1.03 0.95 0.00 0.00 175.26 177.97 2uwq s ARG 54 N -0.25 0.66 -0.10 -4.83 0.52 0.18 -4.96 118.95 110.17 2uwq s ARG 54 Ca 0.14 -0.50 -0.27 0.00 -0.52 0.00 0.00 55.73 54.57 2uwq s ARG 54 Cb -0.12 0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 2uwq s ARG 54 CO 0.03 -0.19 0.89 -1.25 0.02 0.00 0.00 175.30 174.80 2uwq s PRO 55 N -2.13 4.41 -0.15 3.54 0.04 -1.26 -0.22 135.00 139.24 2uwq s PRO 55 Ca -0.08 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 2uwq s PRO 55 Cb -0.03 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 2uwq s PRO 55 CO -0.01 -0.20 -0.02 0.14 0.04 0.00 0.00 177.00 176.95 2uwq s VAL 56 N 1.64 4.09 0.31 -0.36 -7.23 0.24 -4.87 120.40 114.21 2uwq s VAL 56 Ca 0.44 -0.29 -0.27 0.00 -1.81 0.00 0.00 61.98 60.05 2uwq s VAL 56 Cb -0.18 -2.79 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 2uwq s VAL 56 CO 0.18 0.51 0.97 0.00 -0.31 0.00 0.00 175.10 176.45 2uwq s ALA 57 N 0.16 3.24 -0.58 1.32 0.00 -1.26 -1.49 121.76 123.16 2uwq s ALA 57 Ca -0.00 0.61 0.13 0.00 0.00 0.00 0.00 51.96 52.69 2uwq s ALA 57 Cb -0.13 -3.22 0.68 0.00 0.00 0.00 0.00 23.12 20.45 2uwq s ALA 57 CO 0.02 0.10 1.40 -0.25 0.00 0.00 0.00 175.76 177.03 2uwq n ASP 58 N 0.73 0.32 -1.67 0.00 8.00 -1.26 -1.46 116.55 121.21 2uwq n ASP 58 Ca 0.01 0.64 0.07 0.00 0.71 0.00 0.00 54.79 56.22 2uwq n ASP 58 Cb 0.49 -0.69 0.35 0.00 -0.02 0.00 0.00 41.12 41.25 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2uwq n ASN 59 N -1.92 4.98 -4.72 -2.24 4.13 -1.26 -2.99 115.26 111.24 2uwq n ASN 59 Ca -0.00 -2.72 -0.37 0.00 1.68 0.00 0.00 54.58 53.17 2uwq n ASN 59 Cb 0.05 -0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 37.58 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 -2.37 4.28 0.46 3.52 2.02 -0.53 -4.88 118.70 121.19 2uwq s GLU 60 Ca 0.48 0.19 -0.23 0.00 0.02 0.00 0.00 54.97 55.43 2uwq s GLU 60 Cb 0.35 -3.43 -0.08 0.00 0.10 0.00 0.00 34.13 31.07 2uwq s GLU 60 CO 0.16 0.21 1.13 1.03 0.02 0.00 0.00 175.26 177.81 2uwq s ARG 61 N 0.53 3.81 0.00 1.61 3.00 -1.26 -3.01 118.95 123.62 2uwq s ARG 61 Ca 0.19 1.68 0.00 0.00 0.00 0.00 0.00 55.73 57.60 2uwq s ARG 61 Cb -0.14 -2.38 0.00 0.00 0.00 0.00 0.00 34.95 32.44 2uwq s ARG 61 CO 0.06 -0.49 0.37 -0.12 0.00 0.00 0.00 175.30 175.12 2uwq n MET 62 N -0.51 0.00 -0.08 3.54 0.00 -1.24 0.59 117.12 119.42 2uwq n MET 62 Ca 0.07 0.37 0.13 0.00 -0.00 0.00 0.00 57.70 58.27 2uwq n MET 62 Cb 0.49 -0.72 0.51 0.00 0.00 0.00 0.00 33.22 33.51 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 0.41 -0.99 1.12 0.04 -1.91 -1.17 116.94 114.45 2uwq h PHE 63 Ca 0.00 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.95 2uwq h PHE 63 Cb 0.00 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 37.92 2uwq h PHE 63 CO -0.06 0.19 0.62 -0.44 -0.60 0.00 0.00 178.31 178.02 2uwq h ASP 64 N 0.38 0.78 0.96 2.17 5.19 -0.20 0.56 116.42 126.26 2uwq h ASP 64 Ca 0.28 0.07 -0.20 0.00 -0.62 0.00 0.00 57.03 56.56 2uwq h ASP 64 Cb 0.60 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2uwq h ASP 64 CO -0.08 0.33 -0.97 0.58 -3.12 0.00 0.00 179.24 175.99 2uwq h VAL 65 N 0.79 1.69 0.00 -1.35 2.07 0.52 -3.14 116.25 116.83 2uwq h VAL 65 Ca 0.54 -3.30 0.00 0.00 0.82 0.00 0.00 66.70 64.76 2uwq h VAL 65 Cb 0.80 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2uwq h VAL 65 CO -0.31 0.94 0.00 -0.11 0.02 0.00 0.00 177.57 178.11 2uwq n LEU 66 N -3.40 0.00 0.04 2.57 7.94 0.14 -2.90 117.00 121.40 2uwq n LEU 66 Ca -0.00 0.48 0.12 0.00 -1.11 0.00 0.00 56.01 55.50 2uwq n LEU 66 Cb 0.91 -0.48 0.12 0.00 0.53 0.00 0.00 43.42 44.50 2uwq n LEU 66 CO 0.47 -0.10 0.21 0.00 -1.11 0.00 0.00 177.39 176.86 2uwq n GLN 67 N -1.48 0.28 0.01 1.96 1.13 0.15 -4.07 117.38 115.36 2uwq n GLN 67 Ca 0.06 0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.09 2uwq n GLN 67 Cb 0.26 -1.64 -0.13 0.00 0.11 0.00 0.00 30.24 28.84 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 -0.21 -1.09 0.11 -1.64 -3.35 114.38 108.20 2uwq h ARG 68 Ca 0.00 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.09 2uwq h ARG 68 Cb 0.73 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 2uwq h ARG 68 CO 0.00 0.70 0.09 0.74 0.10 0.00 0.00 179.97 181.60 2uwq h PHE 69 N 0.00 0.16 0.00 4.08 -1.00 -1.71 -3.49 116.94 114.99 2uwq h PHE 69 Ca -0.17 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.61 2uwq h PHE 69 Cb 1.92 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.43 2uwq h PHE 69 CO 0.00 0.09 0.00 0.41 -1.61 0.00 0.00 178.31 177.20 2uwq n GLY 70 N -1.16 0.47 0.10 -1.45 0.00 -1.26 -4.80 105.19 97.08 2uwq n GLY 70 Ca -0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.27 1.61 0.02 -1.93 -3.40 113.55 107.59 2uwq h SER 71 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 2uwq h SER 71 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.37 2uwq h SER 71 CO 0.00 0.82 0.96 -1.10 -1.14 0.00 0.00 176.83 176.37 2uwq s GLN 72 N -3.14 3.66 0.00 3.45 1.11 -1.26 -4.79 119.66 118.69 2uwq s GLN 72 Ca -0.00 -1.82 0.00 0.00 0.01 0.00 0.00 55.36 53.55 2uwq s GLN 72 Cb 0.11 -4.97 -0.26 0.00 -1.01 0.00 0.00 33.01 26.88 2uwq s GLN 72 CO 0.79 -1.81 0.84 0.07 0.01 0.00 0.00 175.29 175.19 2uwq h ARG 73 N 8.68 0.18 -1.09 2.91 0.11 -1.80 -3.34 114.38 120.04 2uwq h ARG 73 Ca 0.18 -0.31 -0.55 0.00 0.10 0.00 0.00 59.98 59.40 2uwq h ARG 73 Cb 1.00 0.12 -0.26 0.00 1.11 0.00 0.00 29.97 31.94 2uwq h ARG 73 CO 1.15 1.00 0.71 0.09 0.10 0.00 0.00 179.97 183.02 2uwq n ASN 74 N -3.38 6.24 0.00 0.08 4.13 -1.26 -4.02 115.26 117.06 2uwq n ASN 74 Ca -0.16 -3.55 0.00 0.00 1.68 0.00 0.00 54.58 52.56 2uwq n ASN 74 Cb 1.03 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.71 -0.37 -2.97 3.52 4.07 -1.25 -5.08 120.64 117.85 2uwq n GLU 75 Ca 0.54 -0.30 -0.22 0.00 -0.06 0.00 0.00 57.16 57.12 2uwq n GLU 75 Cb 0.92 -0.79 0.01 0.00 -0.06 0.00 0.00 31.44 31.52 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 -0.03 3.75 -0.01 6.31 0.11 -1.26 -4.25 120.40 125.03 2uwq s VAL 76 Ca 0.00 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.52 2uwq s VAL 76 Cb 0.00 -3.38 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 2uwq s VAL 76 CO 0.00 -0.25 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.23 2uwq s ARG 77 N -4.55 1.28 -0.08 1.54 0.52 0.13 -4.92 118.95 112.85 2uwq s ARG 77 Ca 0.50 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 2uwq s ARG 77 Cb -0.10 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 2uwq s ARG 77 CO 0.37 0.34 -0.09 -0.06 0.02 0.00 0.00 175.30 175.88 2uwq s PHE 78 N -0.44 2.88 -0.00 -0.53 0.40 -0.42 -1.70 117.98 118.16 2uwq s PHE 78 Ca 0.06 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 2uwq s PHE 78 Cb -0.06 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 2uwq s PHE 78 CO -0.00 0.17 0.05 -0.06 0.70 0.00 0.00 175.22 176.08 2uwq s PHE 79 N -0.47 0.09 -0.22 0.36 0.08 -0.75 0.14 117.98 117.20 2uwq s PHE 79 Ca 0.07 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 56.76 2uwq s PHE 79 Cb -0.12 -0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 2uwq s PHE 79 CO 0.02 -0.17 0.49 -1.17 -0.10 0.00 0.00 175.22 174.29 2uwq s LEU 80 N -0.96 4.11 -0.09 -0.37 1.98 -0.86 -0.22 118.68 122.28 2uwq s LEU 80 Ca -0.10 0.57 0.02 0.00 -2.89 0.00 0.00 54.13 51.73 2uwq s LEU 80 Cb -0.06 -2.64 -0.02 0.00 0.66 0.00 0.00 46.19 44.13 2uwq s LEU 80 CO 0.00 -0.19 -0.14 -0.13 -1.89 0.00 0.00 176.35 173.99 2uwq s ARG 81 N 1.81 2.95 -0.61 1.98 1.81 -0.76 -4.71 118.95 121.41 2uwq s ARG 81 Ca 0.22 -0.71 -0.20 0.00 -1.72 0.00 0.00 55.73 53.32 2uwq s ARG 81 Cb -0.15 -2.49 0.09 0.00 -0.45 0.00 0.00 34.95 31.95 2uwq s ARG 81 CO 0.09 0.40 0.80 -1.01 -0.68 0.00 0.00 175.30 174.90 2uwq s HIS 82 N -0.15 2.88 0.00 -0.53 3.76 -1.26 -2.94 115.29 117.05 2uwq s HIS 82 Ca -0.01 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2uwq s HIS 82 Cb -0.14 -4.09 0.00 0.00 1.11 0.00 0.00 32.58 29.47 2uwq s HIS 82 CO 0.03 -1.41 0.00 -1.91 -0.85 0.00 0.00 174.74 170.61