#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 -2.03 0.13 -0.02 0.00 -1.26 -4.97 105.19 97.05 2uwq n GLY -1 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 2.07 -1.44 1.61 7.64 -1.26 -5.09 113.62 117.15 2uwq n SER 0 Ca 0.00 0.25 0.18 0.00 1.01 0.00 0.00 58.87 60.31 2uwq n SER 0 Cb 0.00 -0.88 -0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2uwq n SER 0 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2uwq n MET 1 N -3.69 -3.26 -3.30 1.43 0.00 -1.26 -4.76 117.12 102.29 2uwq n MET 1 Ca -0.33 2.59 -0.40 0.00 -0.00 0.00 0.00 57.70 59.56 2uwq n MET 1 Cb 0.97 -3.84 -0.08 0.00 0.00 0.00 0.00 33.22 30.27 2uwq n MET 1 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2uwq s MET 2 N -3.90 3.86 0.77 2.12 1.00 -1.26 -5.07 119.30 116.82 2uwq s MET 2 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 55.69 55.61 2uwq s MET 2 Cb 0.00 -3.72 0.16 0.00 0.00 0.00 0.00 34.83 31.28 2uwq s MET 2 CO 0.00 -0.44 0.37 -2.30 0.00 0.00 0.00 175.02 172.65 2uwq n PRO 3 N 5.54 -1.60 -2.56 2.03 -0.02 -1.26 -5.06 135.00 132.06 2uwq n PRO 3 Ca -0.06 -0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 60.75 2uwq n PRO 3 Cb 0.50 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.93 0.45 -3.72 -0.52 2.81 -1.23 -5.02 117.12 107.95 2uwq n MET 4 Ca 0.06 -0.82 -0.10 0.00 -1.81 0.00 0.00 57.70 55.03 2uwq n MET 4 Cb 0.25 0.56 -0.04 0.00 -0.71 0.00 0.00 33.22 33.29 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 -2.13 -0.12 0.00 2.03 -0.71 -1.26 -0.85 117.98 114.94 2uwq s PHE 5 Ca 0.07 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 55.77 2uwq s PHE 5 Cb 0.00 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 2uwq s PHE 5 CO 0.05 -0.88 -0.08 -1.17 -1.34 0.00 0.00 175.22 171.81 2uwq s LEU 6 N -2.86 2.06 -0.37 -1.99 0.20 -0.74 -4.96 118.68 110.02 2uwq s LEU 6 Ca 0.08 -0.22 -0.11 0.00 0.69 0.00 0.00 54.13 54.57 2uwq s LEU 6 Cb -0.00 -0.37 0.02 0.00 -0.43 0.00 0.00 46.19 45.41 2uwq s LEU 6 CO -0.04 0.05 0.21 -0.89 -0.29 0.00 0.00 176.35 175.38 2uwq s THR 7 N -0.39 4.72 0.39 3.68 2.01 -1.26 -1.62 115.64 123.17 2uwq s THR 7 Ca 0.01 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2uwq s THR 7 Cb -0.04 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2uwq s THR 7 CO -0.00 -0.17 0.64 -0.69 -0.69 0.00 0.00 174.62 173.70 2uwq s VAL 8 N 1.59 5.03 -0.19 3.82 1.01 0.02 -1.30 120.40 130.37 2uwq s VAL 8 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2uwq s VAL 8 Cb -0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2uwq s VAL 8 CO 0.07 -0.65 -0.02 -0.31 0.00 0.00 0.00 175.10 174.19 2uwq s TYR 9 N -2.46 3.00 0.06 5.22 1.51 0.37 0.16 117.35 125.22 2uwq s TYR 9 Ca 0.43 -0.55 -0.21 0.00 -1.01 0.00 0.00 57.07 55.73 2uwq s TYR 9 Cb -0.10 -2.05 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 2uwq s TYR 9 CO 0.39 -0.27 0.64 -0.51 -1.11 0.00 0.00 175.55 174.68 2uwq s LEU 10 N 0.96 4.50 0.00 -1.29 1.43 0.08 -2.08 118.68 122.27 2uwq s LEU 10 Ca 0.01 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2uwq s LEU 10 Cb -0.14 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2uwq s LEU 10 CO 0.01 0.18 0.00 -0.24 0.23 0.00 0.00 176.35 176.53 2uwq n SER 11 N 2.15 -7.20 -3.87 2.29 2.88 -1.26 -4.01 113.62 104.60 2uwq n SER 11 Ca -0.07 1.03 -0.42 0.00 -1.33 0.00 0.00 58.87 58.07 2uwq n SER 11 Cb 0.50 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 61.04 2uwq n SER 11 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2uwq n ASN 12 N -3.98 4.81 -3.38 -3.46 6.94 -1.26 -4.84 115.26 110.08 2uwq n ASN 12 Ca 0.01 -3.04 -0.20 0.00 -0.02 0.00 0.00 54.58 51.33 2uwq n ASN 12 Cb 0.44 -1.53 -0.08 0.00 -2.36 0.00 0.00 39.78 36.25 2uwq n ASN 12 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2uwq s ASN 13 N 1.53 1.73 0.00 0.53 2.47 -1.26 -5.06 114.94 114.88 2uwq s ASN 13 Ca 0.42 -1.76 0.00 0.00 0.42 0.00 0.00 52.86 51.94 2uwq s ASN 13 Cb 0.10 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 2uwq s ASN 13 CO -0.02 -1.06 0.75 -0.62 -3.72 0.00 0.00 177.10 172.44 2uwq n GLU 14 N -0.64 1.42 0.00 0.43 -0.58 -1.26 -4.70 120.64 115.32 2uwq n GLU 14 Ca 0.07 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.78 2uwq n GLU 14 Cb 0.62 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2uwq n GLN 15 N -0.28 4.01 -3.62 3.49 1.13 -1.26 -4.99 117.38 115.85 2uwq n GLN 15 Ca 0.00 -0.03 -0.38 0.00 -1.94 0.00 0.00 57.00 54.66 2uwq n GLN 15 Cb 0.22 -0.36 -0.11 0.00 0.11 0.00 0.00 30.24 30.09 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2uwq s HIS 16 N -0.58 3.23 0.07 1.08 2.46 -1.26 -5.05 115.29 115.24 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 -2.35 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 2uwq s HIS 16 CO 0.00 -0.12 0.11 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.59 0.29 -0.15 3.88 -0.12 -1.26 -0.74 117.98 121.46 2uwq s PHE 17 Ca 0.07 -0.76 -0.02 0.00 -0.05 0.00 0.00 56.93 56.16 2uwq s PHE 17 Cb -0.15 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.10 2uwq s PHE 17 CO 0.09 -0.48 0.02 -0.08 -0.05 0.00 0.00 175.22 174.72 2uwq s THR 18 N -3.87 0.48 0.21 -4.49 -1.32 0.42 -4.82 115.64 102.24 2uwq s THR 18 Ca 0.06 -0.32 -0.05 0.00 -1.21 0.00 0.00 61.69 60.16 2uwq s THR 18 Cb 0.06 -0.86 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2uwq s THR 18 CO -0.11 -0.04 0.46 -1.83 -2.21 0.00 0.00 174.62 170.89 2uwq s GLU 19 N 1.90 3.64 -0.23 7.08 -1.05 -1.26 -0.80 118.70 127.97 2uwq s GLU 19 Ca 0.01 -0.03 -0.20 0.00 -0.15 0.00 0.00 54.97 54.60 2uwq s GLU 19 Cb -0.15 -2.75 0.06 0.00 -0.44 0.00 0.00 34.13 30.85 2uwq s GLU 19 CO -0.07 0.36 0.61 0.54 0.95 0.00 0.00 175.26 177.65 2uwq s VAL 20 N -1.84 -0.00 -0.02 1.83 0.11 -0.64 -4.97 120.40 114.87 2uwq s VAL 20 Ca 0.43 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.27 2uwq s VAL 20 Cb -0.11 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2uwq s VAL 20 CO 0.26 0.00 0.62 -2.16 -3.33 0.00 0.00 175.10 170.49 2uwq s PRO 21 N 0.56 4.36 0.10 1.54 0.04 -1.26 -1.80 135.00 138.54 2uwq s PRO 21 Ca -0.02 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.61 2uwq s PRO 21 Cb -0.05 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.16 2uwq s PRO 21 CO -0.03 0.28 0.42 0.14 0.04 0.00 0.00 177.00 177.86 2uwq s VAL 22 N 0.09 0.06 0.40 -0.36 -7.23 -0.03 -4.97 120.40 108.36 2uwq s VAL 22 Ca 0.32 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 60.04 2uwq s VAL 22 Cb -0.18 -1.10 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 2uwq s VAL 22 CO 0.17 -0.27 0.57 0.42 -0.31 0.00 0.00 175.10 175.68 2uwq s THR 23 N -3.40 3.89 -0.69 5.32 -4.23 -1.26 -3.50 115.64 111.76 2uwq s THR 23 Ca 0.00 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2uwq s THR 23 Cb 0.01 -3.38 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 2uwq s THR 23 CO -0.09 -0.20 1.98 -0.81 -0.54 0.00 0.00 174.62 174.96 2uwq n PRO 24 N -1.86 1.72 0.00 3.99 -0.04 -1.26 -3.05 135.00 134.50 2uwq n PRO 24 Ca 0.01 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2uwq n PRO 24 Cb 0.58 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 4.08 0.00 -3.20 0.54 0.28 -1.26 -5.01 120.64 116.07 2uwq n GLU 25 Ca 0.37 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.04 2uwq n GLU 25 Cb 0.16 -0.43 -0.06 0.00 1.43 0.00 0.00 31.44 32.54 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 -1.78 4.74 -0.03 3.84 -4.23 -1.17 -4.96 115.64 112.05 2uwq s THR 26 Ca 0.00 0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 61.36 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 -0.14 0.02 0.27 -0.54 0.00 0.00 174.62 174.23 2uwq s ILE 27 N -1.92 0.07 0.00 2.99 -0.00 -1.26 -3.18 121.20 117.90 2uwq s ILE 27 Ca 0.52 0.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.35 2uwq s ILE 27 Cb -0.11 -0.21 0.00 0.00 -0.00 0.00 0.00 42.46 42.14 2uwq s ILE 27 CO 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 174.94 175.26 2uwq h ARG 29 N 0.00 0.20 -0.01 0.00 3.08 -1.90 -2.15 114.38 113.60 2uwq h ARG 29 Ca 0.00 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.58 2uwq h ARG 29 Cb 0.29 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 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 -0.47 0.04 0.15 7.04 5.19 -1.96 0.20 116.42 126.61 2uwq h ASP 30 Ca -0.26 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2uwq h ASP 30 Cb 1.61 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.11 2uwq h ASP 30 CO 0.03 0.68 -0.07 0.58 -3.12 0.00 0.00 179.24 177.34 2uwq h VAL 31 N 0.02 0.99 -0.02 -1.35 2.07 -1.91 -1.21 116.25 114.85 2uwq h VAL 31 Ca -0.01 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2uwq h VAL 31 Cb 1.16 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2uwq h VAL 31 CO 0.09 0.17 -0.10 0.58 0.02 0.00 0.00 177.57 178.33 2uwq h VAL 32 N -0.57 1.50 -0.82 2.57 2.07 -1.40 -1.07 116.25 118.52 2uwq h VAL 32 Ca -0.02 -1.61 0.08 0.00 0.82 0.00 0.00 66.70 65.97 2uwq h VAL 32 Cb 0.44 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 2uwq h VAL 32 CO 0.03 0.43 0.48 0.44 0.02 0.00 0.00 177.57 178.98 2uwq h ASP 33 N -0.50 0.72 0.45 0.57 3.45 -0.70 0.42 116.42 120.82 2uwq h ASP 33 Ca -0.01 0.04 -0.24 0.00 0.43 0.00 0.00 57.03 57.25 2uwq h ASP 33 Cb 0.76 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 2uwq h ASP 33 CO 0.02 0.43 -1.02 -0.07 -1.57 0.00 0.00 179.24 177.03 2uwq h LEU 34 N 0.84 0.47 -4.06 1.55 3.38 -1.28 -3.31 115.31 112.90 2uwq h LEU 34 Ca 0.38 -0.41 -0.63 0.00 0.09 0.00 0.00 57.88 57.31 2uwq h LEU 34 Cb 0.28 -0.15 -0.36 0.00 0.09 0.00 0.00 40.66 40.53 2uwq h LEU 34 CO -0.22 1.24 0.02 0.00 0.09 0.00 0.00 178.44 179.57 2uwq s LYS 36 N -3.73 2.42 0.37 0.00 2.20 0.14 -4.78 119.74 116.36 2uwq s LYS 36 Ca 0.56 -0.90 0.09 0.00 -0.36 0.00 0.00 55.97 55.35 2uwq s LYS 36 Cb 0.45 -2.49 -0.07 0.00 -1.51 0.00 0.00 37.83 34.21 2uwq s LYS 36 CO -0.05 -0.81 -0.04 -2.00 -0.36 0.00 0.00 175.35 172.09 2uwq s GLU 37 N -4.79 1.90 -0.88 4.03 2.12 -1.26 -4.97 118.70 114.86 2uwq s GLU 37 Ca 0.59 -1.98 -0.19 0.00 0.36 0.00 0.00 54.97 53.75 2uwq s GLU 37 Cb -0.09 -1.71 -0.23 0.00 0.26 0.00 0.00 34.13 32.36 2uwq s GLU 37 CO 0.39 0.07 2.31 -2.30 -0.54 0.00 0.00 175.26 175.18 2uwq n PRO 38 N -0.88 0.32 -2.64 4.30 -0.02 -1.26 -3.13 135.00 131.69 2uwq n PRO 38 Ca -0.05 -0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 60.88 2uwq n PRO 38 Cb 0.65 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 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 6.26 -1.20 3.29 -1.23 0.00 -1.26 -5.06 105.19 105.98 2uwq n GLY 39 Ca 0.56 0.98 -0.23 0.00 0.00 0.00 0.00 46.02 47.33 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 -2.40 1.13 0.05 1.61 0.41 -1.18 -5.15 118.70 113.16 2uwq s GLU 40 Ca 0.19 -1.19 0.01 0.00 -0.41 0.00 0.00 54.97 53.57 2uwq s GLU 40 Cb -0.05 -1.35 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 2uwq s GLU 40 CO 0.64 0.31 -0.06 -1.12 -0.49 0.00 0.00 175.26 174.53 2uwq s SER 41 N -2.03 0.75 -0.23 -0.19 0.01 -1.26 -4.95 113.70 105.80 2uwq s SER 41 Ca 0.08 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 2uwq s SER 41 Cb -0.09 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2uwq s SER 41 CO 0.04 -0.28 0.11 -0.67 0.41 0.00 0.00 173.24 172.85 2uwq n ASP 42 N 1.20 -4.07 -3.71 2.44 2.03 -1.26 -4.76 116.55 108.41 2uwq n ASP 42 Ca -0.21 1.28 -0.10 0.00 0.52 0.00 0.00 54.79 56.28 2uwq n ASP 42 Cb 0.56 -4.96 -0.06 0.00 -0.72 0.00 0.00 41.12 35.94 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 -3.64 1.18 0.01 0.00 -3.43 -1.09 -4.69 115.29 103.62 2uwq s HIS 44 Ca 0.02 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 2uwq s HIS 44 Cb 0.02 -0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 2uwq s HIS 44 CO -0.10 0.04 0.06 -1.17 -2.00 0.00 0.00 174.74 171.57 2uwq s LEU 45 N -2.89 3.79 0.16 5.38 2.96 -0.52 -1.76 118.68 125.81 2uwq s LEU 45 Ca 0.12 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 2uwq s LEU 45 Cb 0.01 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2uwq s LEU 45 CO 0.00 0.26 -0.03 0.00 -1.32 0.00 0.00 176.35 175.26 2uwq s ALA 46 N -1.19 3.14 -0.21 5.97 0.00 0.47 0.71 121.76 130.64 2uwq s ALA 46 Ca 0.23 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2uwq s ALA 46 Cb -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 22.10 2uwq s ALA 46 CO 0.14 0.52 -0.04 -1.83 0.00 0.00 0.00 175.76 174.55 2uwq s GLU 47 N -2.77 1.43 -0.15 0.00 -1.05 -0.31 -1.83 118.70 114.02 2uwq s GLU 47 Ca 0.26 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2uwq s GLU 47 Cb -0.10 -2.38 0.02 0.00 -0.44 0.00 0.00 34.13 31.23 2uwq s GLU 47 CO 0.17 -0.56 -0.15 0.08 0.95 0.00 0.00 175.26 175.75 2uwq s VAL 48 N 1.53 1.60 -0.12 1.83 1.01 -0.70 -0.02 120.40 125.53 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 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.76 2uwq s VAL 48 CO -0.07 0.46 0.24 0.86 0.00 0.00 0.00 175.10 176.59 2uwq s TRP 49 N 1.47 -0.36 -1.28 5.22 -0.00 0.31 -1.23 118.94 123.07 2uwq s TRP 49 Ca 0.05 0.87 -0.23 0.00 -0.00 0.00 0.00 56.10 56.78 2uwq s TRP 49 Cb -0.13 -0.06 0.02 0.00 -0.00 0.00 0.00 33.47 33.30 2uwq s TRP 49 CO -0.11 -0.32 0.56 0.00 -0.00 0.00 0.00 176.95 177.09 2uwq n GLY 51 N -2.10 1.00 3.28 0.00 0.00 -1.26 -4.97 105.19 101.14 2uwq n GLY 51 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.98 6.24 -0.24 1.61 0.15 0.22 -5.03 113.70 113.67 2uwq s SER 52 Ca 0.00 -2.23 -0.00 0.00 0.70 0.00 0.00 55.95 54.41 2uwq s SER 52 Cb 0.00 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2uwq s SER 52 CO 0.00 -0.68 -0.09 -1.83 1.20 0.00 0.00 173.24 171.84 2uwq s GLU 53 N 0.89 2.70 0.07 5.44 -1.05 -1.25 0.12 118.70 125.61 2uwq s GLU 53 Ca 0.10 -1.05 0.03 0.00 -0.15 0.00 0.00 54.97 53.90 2uwq s GLU 53 Cb -0.21 -2.91 -0.03 0.00 -0.44 0.00 0.00 34.13 30.53 2uwq s GLU 53 CO -0.03 -0.42 -0.09 1.03 0.95 0.00 0.00 175.26 176.70 2uwq s ARG 54 N 1.27 0.70 -0.01 -4.83 1.81 0.97 -4.97 118.95 113.88 2uwq s ARG 54 Ca -0.01 -0.98 -0.30 0.00 -1.72 0.00 0.00 55.73 52.72 2uwq s ARG 54 Cb -0.17 -0.40 -0.04 0.00 -0.45 0.00 0.00 34.95 33.89 2uwq s ARG 54 CO -0.06 0.06 1.18 -2.14 -0.68 0.00 0.00 175.30 173.67 2uwq s PRO 55 N -2.28 4.40 -0.16 3.54 0.02 -1.26 -1.17 135.00 138.09 2uwq s PRO 55 Ca -0.01 1.68 -0.05 0.00 0.02 0.00 0.00 61.00 62.64 2uwq s PRO 55 Cb -0.06 -3.48 -0.03 0.00 0.02 0.00 0.00 34.50 30.95 2uwq s PRO 55 CO -0.00 -0.35 0.01 0.14 -0.33 0.00 0.00 177.00 176.47 2uwq s VAL 56 N 1.73 4.37 0.31 3.83 -7.23 0.22 -4.89 120.40 118.74 2uwq s VAL 56 Ca 0.56 -0.19 -0.27 0.00 -1.81 0.00 0.00 61.98 60.27 2uwq s VAL 56 Cb -0.26 -2.93 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 2uwq s VAL 56 CO 0.25 0.50 0.97 0.00 -0.31 0.00 0.00 175.10 176.51 2uwq s ALA 57 N 0.17 3.24 -0.57 1.32 0.00 -1.26 -1.43 121.76 123.23 2uwq s ALA 57 Ca 0.02 0.61 0.17 0.00 0.00 0.00 0.00 51.96 52.75 2uwq s ALA 57 Cb -0.13 -3.22 0.79 0.00 0.00 0.00 0.00 23.12 20.56 2uwq s ALA 57 CO 0.02 0.09 1.51 -0.25 0.00 0.00 0.00 175.76 177.13 2uwq n ASP 58 N 0.75 0.39 -1.15 0.00 8.00 -1.26 -1.62 116.55 121.66 2uwq n ASP 58 Ca 0.01 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.23 2uwq n ASP 58 Cb 0.49 -0.71 0.26 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.98 3.35 -4.64 -2.24 4.13 -1.26 -2.90 115.26 109.72 2uwq n ASN 59 Ca 0.01 -2.16 -0.40 0.00 1.68 0.00 0.00 54.58 53.70 2uwq n ASN 59 Cb 0.10 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.84 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 -1.51 4.15 0.13 3.52 0.41 -0.64 -4.84 118.70 119.93 2uwq s GLU 60 Ca 0.38 0.51 -0.30 0.00 -0.41 0.00 0.00 54.97 55.14 2uwq s GLU 60 Cb 0.22 -3.61 -0.07 0.00 -1.78 0.00 0.00 34.13 28.89 2uwq s GLU 60 CO 0.22 -0.29 1.26 -0.98 -0.49 0.00 0.00 175.26 174.97 2uwq s ARG 61 N 2.11 4.42 0.00 1.61 3.03 -1.26 -2.93 118.95 125.93 2uwq s ARG 61 Ca 0.26 1.91 0.00 0.00 2.03 0.00 0.00 55.73 59.93 2uwq s ARG 61 Cb -0.16 -3.27 0.00 0.00 -1.03 0.00 0.00 34.95 30.50 2uwq s ARG 61 CO 0.09 -0.24 0.05 -1.33 -1.13 0.00 0.00 175.30 172.74 2uwq n MET 62 N 3.29 0.00 -0.35 3.89 2.81 -1.19 0.56 117.12 126.13 2uwq n MET 62 Ca 0.08 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 2uwq n MET 62 Cb 0.44 -0.12 0.07 0.00 -0.71 0.00 0.00 33.22 32.90 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 -0.89 -0.73 2.03 -1.00 -1.86 1.35 116.94 115.85 2uwq h PHE 63 Ca 0.00 0.10 0.16 0.00 2.81 0.00 0.00 57.97 61.03 2uwq h PHE 63 Cb 0.00 0.53 -0.11 0.00 3.61 0.00 0.00 35.95 39.98 2uwq h PHE 63 CO 0.00 -0.40 0.17 0.22 -1.61 0.00 0.00 178.31 176.69 2uwq h ASP 64 N -0.02 0.01 1.25 2.17 1.82 -0.25 0.87 116.42 122.27 2uwq h ASP 64 Ca 0.37 0.14 -0.14 0.00 -0.39 0.00 0.00 57.03 57.02 2uwq h ASP 64 Cb 0.62 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.81 2uwq h ASP 64 CO -0.95 -0.03 -0.67 0.58 -1.61 0.00 0.00 179.24 176.55 2uwq h VAL 65 N 0.27 1.18 -0.00 2.25 2.07 0.82 -3.15 116.25 119.69 2uwq h VAL 65 Ca 0.41 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2uwq h VAL 65 Cb 0.69 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2uwq h VAL 65 CO -0.51 0.65 -0.02 0.18 0.02 0.00 0.00 177.57 177.90 2uwq n LEU 66 N -3.31 0.15 -0.01 2.57 4.77 0.43 -3.27 117.00 118.34 2uwq n LEU 66 Ca 0.01 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2uwq n LEU 66 Cb 0.78 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 2uwq n LEU 66 CO 0.42 0.03 -0.60 0.00 -1.33 0.00 0.00 177.39 175.91 2uwq n GLN 67 N -1.02 0.66 0.20 3.23 6.02 0.25 -4.42 117.38 122.29 2uwq n GLN 67 Ca 0.19 -0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.15 2uwq n GLN 67 Cb 0.19 -1.32 0.31 0.00 1.02 0.00 0.00 30.24 30.44 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 0.00 0.00 -3.18 -1.09 0.11 -1.57 -3.36 114.38 105.30 2uwq h ARG 68 Ca 0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 2uwq h ARG 68 Cb 0.62 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.72 2uwq h ARG 68 CO 0.00 0.26 2.76 1.19 0.10 0.00 0.00 179.97 184.28 2uwq n PHE 69 N -3.29 1.58 0.00 4.08 3.01 -1.25 -4.91 117.46 116.67 2uwq n PHE 69 Ca 0.01 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.22 2uwq n PHE 69 Cb 0.52 -1.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.09 2uwq n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uwq n GLY 70 N 3.60 3.09 1.08 1.37 0.00 -1.26 -1.91 105.19 111.15 2uwq n GLY 70 Ca 0.54 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 3.42 2.67 -3.46 1.61 2.88 -1.26 -4.86 113.62 114.62 2uwq n SER 71 Ca 0.00 -3.84 -0.28 0.00 -1.33 0.00 0.00 58.87 53.41 2uwq n SER 71 Cb 0.00 -0.55 -0.11 0.00 -0.75 0.00 0.00 64.21 62.80 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 -3.33 0.81 0.40 -1.46 -0.21 -0.80 -4.96 119.66 110.10 2uwq s GLN 72 Ca 0.43 -1.77 0.18 0.00 0.02 0.00 0.00 55.36 54.23 2uwq s GLN 72 Cb 0.39 -1.49 0.83 0.00 1.00 0.00 0.00 33.01 33.75 2uwq s GLN 72 CO -0.03 -1.28 1.82 0.07 -2.12 0.00 0.00 175.29 173.75 2uwq h ARG 73 N 6.37 0.00 -1.04 2.91 -0.00 -1.80 -2.85 114.38 117.97 2uwq h ARG 73 Ca 0.14 0.00 -0.48 0.00 -0.00 0.00 0.00 59.98 59.64 2uwq h ARG 73 Cb 0.93 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 30.65 2uwq h ARG 73 CO 0.34 0.33 0.62 0.09 -0.00 0.00 0.00 179.97 181.35 2uwq n ASN 74 N -3.74 4.72 0.00 0.08 3.02 -1.26 -3.97 115.26 114.11 2uwq n ASN 74 Ca -0.01 -3.43 0.00 0.00 -0.03 0.00 0.00 54.58 51.11 2uwq n ASN 74 Cb 0.43 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.80 0.38 -4.14 3.52 4.07 -1.07 -5.08 120.64 117.52 2uwq n GLU 75 Ca 0.52 -0.59 -0.23 0.00 -0.06 0.00 0.00 57.16 56.80 2uwq n GLU 75 Cb 1.25 -0.76 -0.05 0.00 -0.06 0.00 0.00 31.44 31.82 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 -0.23 4.30 -0.06 6.31 0.11 -1.25 -4.27 120.40 125.30 2uwq s VAL 76 Ca 0.00 -1.40 0.05 0.00 -2.93 0.00 0.00 61.98 57.70 2uwq s VAL 76 Cb 0.00 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.56 2uwq s VAL 76 CO 0.00 -0.29 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.12 2uwq s ARG 77 N -3.63 2.45 -0.07 1.54 3.00 -0.37 -4.85 118.95 117.02 2uwq s ARG 77 Ca 0.32 -0.82 0.00 0.00 0.00 0.00 0.00 55.73 55.24 2uwq s ARG 77 Cb -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 34.95 32.81 2uwq s ARG 77 CO 0.24 0.30 -0.06 -0.06 0.00 0.00 0.00 175.30 175.71 2uwq s PHE 78 N 0.02 2.96 -0.02 -0.53 0.40 -0.42 -1.72 117.98 118.66 2uwq s PHE 78 Ca -0.07 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2uwq s PHE 78 Cb -0.14 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2uwq s PHE 78 CO 0.04 0.32 0.07 -0.06 0.70 0.00 0.00 175.22 176.30 2uwq s PHE 79 N -0.74 -0.05 -0.25 0.36 0.40 -0.76 0.14 117.98 117.08 2uwq s PHE 79 Ca 0.11 0.13 -0.17 0.00 -0.60 0.00 0.00 56.93 56.39 2uwq s PHE 79 Cb -0.11 0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 2uwq s PHE 79 CO 0.02 -0.07 0.49 -1.17 0.70 0.00 0.00 175.22 175.19 2uwq s LEU 80 N -0.17 4.08 -0.18 -0.37 1.98 -0.89 -0.40 118.68 122.73 2uwq s LEU 80 Ca -0.02 0.52 -0.02 0.00 -2.89 0.00 0.00 54.13 51.72 2uwq s LEU 80 Cb -0.02 -2.63 -0.01 0.00 0.66 0.00 0.00 46.19 44.19 2uwq s LEU 80 CO 0.00 -0.24 -0.08 -0.13 -1.89 0.00 0.00 176.35 174.01 2uwq s ARG 81 N 2.07 3.38 -0.23 1.98 0.52 -0.72 -4.74 118.95 121.21 2uwq s ARG 81 Ca 0.21 -0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 54.58 2uwq s ARG 81 Cb -0.16 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 2uwq s ARG 81 CO 0.09 -0.02 0.53 -1.01 0.02 0.00 0.00 175.30 174.91 2uwq s HIS 82 N 0.97 3.32 -0.49 -0.53 3.76 -1.26 -2.68 115.29 118.38 2uwq s HIS 82 Ca -0.01 0.72 0.04 0.00 -0.15 0.00 0.00 55.06 55.66 2uwq s HIS 82 Cb -0.15 -2.70 0.03 0.00 1.11 0.00 0.00 32.58 30.87 2uwq s HIS 82 CO -0.00 -0.19 0.63 0.39 -0.85 0.00 0.00 174.74 174.71