#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 1.26 4.01 -0.02 0.00 -1.26 -4.91 105.19 104.27 2uwq n GLY -1 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 2uwq n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uwq s SER 0 N -4.00 5.03 -0.07 1.61 0.01 -1.26 -5.07 113.70 109.96 2uwq s SER 0 Ca 0.00 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 2uwq s SER 0 Cb 0.00 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 2uwq s SER 0 CO 0.00 -1.34 0.26 0.24 0.41 0.00 0.00 173.24 172.81 2uwq h MET 1 N 0.06 -0.21 -4.98 12.44 0.00 -2.07 -3.50 114.93 116.67 2uwq h MET 1 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.36 2uwq h MET 1 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 31.60 32.93 2uwq h MET 1 CO 0.43 -0.14 -0.90 -1.33 0.00 0.00 0.00 176.91 174.98 2uwq n MET 2 N -4.77 -3.20 -1.64 1.72 2.00 -1.26 -4.85 117.12 105.11 2uwq n MET 2 Ca -0.03 2.60 -0.49 0.00 0.00 0.00 0.00 57.70 59.78 2uwq n MET 2 Cb 0.09 -5.08 -0.05 0.00 0.00 0.00 0.00 33.22 28.17 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 0.60 1.73 -0.82 0.03 -0.02 -1.26 -4.96 135.00 130.29 2uwq n PRO 3 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2uwq n PRO 3 Cb 0.02 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 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 3.50 0.00 -3.89 -0.52 2.81 -1.26 -5.04 117.12 112.72 2uwq n MET 4 Ca 0.19 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.98 2uwq n MET 4 Cb 0.24 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.70 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 -1.71 0.22 0.00 2.03 -0.12 -1.26 -1.31 117.98 115.83 2uwq s PHE 5 Ca 0.00 -0.58 0.05 0.00 -0.05 0.00 0.00 56.93 56.35 2uwq s PHE 5 Cb 0.00 0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 2uwq s PHE 5 CO 0.00 -0.81 -0.16 -0.48 -0.05 0.00 0.00 175.22 173.72 2uwq s LEU 6 N -2.94 2.06 -0.40 -1.99 0.05 -0.64 -4.91 118.68 109.92 2uwq s LEU 6 Ca 0.15 -0.33 -0.19 0.00 0.05 0.00 0.00 54.13 53.80 2uwq s LEU 6 Cb 0.02 -0.80 0.01 0.00 -2.05 0.00 0.00 46.19 43.37 2uwq s LEU 6 CO -0.00 0.17 0.57 -0.89 -0.55 0.00 0.00 176.35 175.65 2uwq s THR 7 N -0.48 4.93 0.31 5.48 2.01 -1.26 -1.47 115.64 125.16 2uwq s THR 7 Ca 0.06 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 2uwq s THR 7 Cb -0.07 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2uwq s THR 7 CO -0.00 -0.41 0.57 -0.69 -0.69 0.00 0.00 174.62 173.40 2uwq s VAL 8 N 2.57 5.02 -0.15 3.82 1.01 0.11 -1.01 120.40 131.77 2uwq s VAL 8 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2uwq s VAL 8 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2uwq s VAL 8 CO 0.16 -0.38 -0.09 -0.31 0.00 0.00 0.00 175.10 174.48 2uwq s TYR 9 N -2.15 2.89 -0.05 5.22 1.51 0.29 0.20 117.35 125.27 2uwq s TYR 9 Ca 0.44 -0.56 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 2uwq s TYR 9 Cb -0.11 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 2uwq s TYR 9 CO 0.31 -0.18 0.48 -0.51 -1.11 0.00 0.00 175.55 174.54 2uwq s LEU 10 N 0.45 4.38 0.00 -1.29 1.02 -0.87 -1.98 118.68 120.39 2uwq s LEU 10 Ca -0.07 0.95 0.00 0.00 0.02 0.00 0.00 54.13 55.03 2uwq s LEU 10 Cb -0.15 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.35 2uwq s LEU 10 CO 0.04 0.15 0.00 -0.24 0.02 0.00 0.00 176.35 176.32 2uwq n SER 11 N 2.76 -3.29 -1.89 2.29 2.88 -1.26 -3.32 113.62 111.79 2uwq n SER 11 Ca -0.10 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.29 2uwq n SER 11 Cb 0.52 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.13 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 -3.01 3.66 -4.91 -3.46 3.02 -1.26 -4.77 115.26 104.54 2uwq n ASN 12 Ca 0.00 -3.16 -0.27 0.00 -0.03 0.00 0.00 54.58 51.12 2uwq n ASN 12 Cb 0.00 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.41 2uwq n ASN 12 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2uwq s ASN 13 N -0.71 6.34 0.00 6.41 0.01 -1.21 -5.01 114.94 120.77 2uwq s ASN 13 Ca 0.43 0.82 0.12 0.00 -0.71 0.00 0.00 52.86 53.51 2uwq s ASN 13 Cb 0.36 -2.19 0.06 0.00 0.41 0.00 0.00 41.25 39.88 2uwq s ASN 13 CO 0.09 -0.42 0.81 -0.62 -1.51 0.00 0.00 177.10 175.44 2uwq n GLU 14 N -1.78 1.12 0.00 -0.60 -0.58 -1.26 -4.53 120.64 113.01 2uwq n GLU 14 Ca -0.01 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.71 2uwq n GLU 14 Cb 0.55 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.37 5.92 -3.62 3.49 1.13 -1.26 -4.98 117.38 118.42 2uwq n GLN 15 Ca 0.06 -0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.75 2uwq n GLN 15 Cb 0.28 -0.43 -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 -0.85 3.24 0.07 1.08 2.46 -1.26 -5.05 115.29 114.98 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 1.55 0.29 -0.13 3.88 -0.12 -1.26 -2.04 117.98 120.16 2uwq s PHE 17 Ca 0.07 -0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 2uwq s PHE 17 Cb -0.15 -0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.08 2uwq s PHE 17 CO 0.09 -0.47 -0.02 -0.08 -0.05 0.00 0.00 175.22 174.69 2uwq s THR 18 N -3.78 0.75 0.23 -4.49 -1.32 0.53 -4.88 115.64 102.68 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 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2uwq s THR 18 CO -0.10 0.13 0.49 -1.83 -2.21 0.00 0.00 174.62 171.10 2uwq s GLU 19 N 1.80 3.64 -0.15 7.08 -1.05 -1.26 0.09 118.70 128.85 2uwq s GLU 19 Ca 0.02 -0.03 -0.10 0.00 -0.15 0.00 0.00 54.97 54.71 2uwq s GLU 19 Cb -0.14 -2.72 0.05 0.00 -0.44 0.00 0.00 34.13 30.87 2uwq s GLU 19 CO -0.07 0.32 0.37 0.14 0.95 0.00 0.00 175.26 176.96 2uwq s VAL 20 N -1.91 -0.01 -0.45 1.83 -7.23 -0.54 -4.93 120.40 107.16 2uwq s VAL 20 Ca 0.43 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.40 2uwq s VAL 20 Cb -0.11 -0.53 0.02 0.00 0.56 0.00 0.00 36.38 36.32 2uwq s VAL 20 CO 0.27 0.02 0.89 -2.16 -0.31 0.00 0.00 175.10 173.81 2uwq s PRO 21 N 0.77 3.54 0.03 4.82 0.04 -1.26 -1.62 135.00 141.32 2uwq s PRO 21 Ca -0.05 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.21 2uwq s PRO 21 Cb -0.06 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 2uwq s PRO 21 CO -0.06 -1.16 -0.20 0.54 0.04 0.00 0.00 177.00 176.16 2uwq s VAL 22 N 3.60 1.63 0.44 -0.36 0.11 -0.43 -4.95 120.40 120.44 2uwq s VAL 22 Ca 0.35 -1.09 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 2uwq s VAL 22 Cb -0.11 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2uwq s VAL 22 CO 0.24 0.27 0.61 0.42 -3.33 0.00 0.00 175.10 173.32 2uwq s THR 23 N -0.70 3.17 -0.86 5.04 -4.23 -1.26 -4.11 115.64 112.68 2uwq s THR 23 Ca 0.07 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 2uwq s THR 23 Cb -0.08 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 2uwq s THR 23 CO 0.01 -0.05 2.04 -0.81 -0.54 0.00 0.00 174.62 175.27 2uwq n PRO 24 N -1.95 1.93 0.04 3.99 -0.04 -1.26 -3.15 135.00 134.56 2uwq n PRO 24 Ca 0.06 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2uwq n PRO 24 Cb 0.59 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 -3.14 0.54 -0.58 -1.26 -5.06 120.64 115.73 2uwq n GLU 25 Ca 0.43 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.85 2uwq n GLU 25 Cb 0.16 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.97 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 -2.00 4.68 -0.03 2.62 -4.23 -1.19 -5.00 115.64 110.50 2uwq s THR 26 Ca 0.00 0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 61.44 2uwq s THR 26 Cb 0.00 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.26 2uwq s THR 26 CO 0.00 -0.19 0.02 0.27 -0.54 0.00 0.00 174.62 174.18 2uwq s ILE 27 N -1.99 0.04 0.00 2.99 -0.00 -1.26 -3.94 121.20 117.04 2uwq s ILE 27 Ca 0.54 0.19 0.00 0.00 -0.00 0.00 0.00 60.65 61.38 2uwq s ILE 27 Cb -0.10 -0.18 0.00 0.00 -0.00 0.00 0.00 42.46 42.18 2uwq s ILE 27 CO 0.18 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.24 2uwq h ARG 29 N 0.00 0.14 0.03 0.00 9.65 -1.90 -2.23 114.38 120.07 2uwq h ARG 29 Ca 0.00 -0.24 -0.25 0.00 -1.10 0.00 0.00 59.98 58.38 2uwq h ARG 29 Cb 0.29 0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2uwq h ARG 29 CO 0.00 1.05 -1.04 -0.44 2.80 0.00 0.00 179.97 182.34 2uwq h ASP 30 N 0.04 0.68 -0.16 -3.80 3.32 -1.97 -0.79 116.42 113.73 2uwq h ASP 30 Ca -0.13 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.30 2uwq h ASP 30 Cb 1.91 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.25 2uwq h ASP 30 CO 0.16 1.38 -0.11 -0.37 -1.72 0.00 0.00 179.24 178.57 2uwq h VAL 31 N 0.27 1.33 -0.09 -1.35 -1.51 -1.92 -1.65 116.25 111.32 2uwq h VAL 31 Ca -0.11 -1.21 -0.10 0.00 -1.23 0.00 0.00 66.70 64.04 2uwq h VAL 31 Cb 1.69 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 2uwq h VAL 31 CO 0.19 0.36 -0.34 0.58 -1.23 0.00 0.00 177.57 177.13 2uwq h VAL 32 N 0.02 1.41 -0.27 7.19 2.07 -1.49 -0.27 116.25 124.90 2uwq h VAL 32 Ca 0.03 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2uwq h VAL 32 Cb 0.62 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2uwq h VAL 32 CO 0.03 0.50 0.15 0.44 0.02 0.00 0.00 177.57 178.71 2uwq h ASP 33 N -0.08 0.34 0.52 0.57 3.32 -1.22 0.21 116.42 120.09 2uwq h ASP 33 Ca -0.02 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.69 2uwq h ASP 33 Cb 0.98 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2uwq h ASP 33 CO 0.07 0.32 -1.13 -0.07 -1.72 0.00 0.00 179.24 176.72 2uwq h LEU 34 N 0.33 0.46 -3.82 1.55 3.38 -1.40 -3.31 115.31 112.51 2uwq h LEU 34 Ca 0.10 -0.44 -0.54 0.00 0.09 0.00 0.00 57.88 57.08 2uwq h LEU 34 Cb 0.06 -0.15 -0.30 0.00 0.09 0.00 0.00 40.66 40.36 2uwq h LEU 34 CO -0.02 1.30 0.21 0.00 0.09 0.00 0.00 178.44 180.03 2uwq n LYS 36 N -0.92 -0.18 -3.96 0.00 4.81 0.74 -4.70 118.16 113.95 2uwq n LYS 36 Ca 0.52 -0.53 -0.09 0.00 -0.87 0.00 0.00 58.31 57.33 2uwq n LYS 36 Cb 0.93 -0.30 -0.07 0.00 0.02 0.00 0.00 35.03 35.60 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 -3.59 1.13 -0.84 1.64 2.02 -1.26 -4.89 118.70 112.90 2uwq s GLU 37 Ca 0.18 -1.17 -0.21 0.00 0.02 0.00 0.00 54.97 53.80 2uwq s GLU 37 Cb -0.01 0.37 -0.21 0.00 0.10 0.00 0.00 34.13 34.39 2uwq s GLU 37 CO 0.13 -0.41 2.35 -2.30 0.02 0.00 0.00 175.26 175.05 2uwq n PRO 38 N -0.20 0.38 -2.47 0.39 -0.02 -1.26 -2.67 135.00 129.15 2uwq n PRO 38 Ca -0.08 -0.39 -0.00 0.00 -2.02 0.00 0.00 63.50 61.01 2uwq n PRO 38 Cb 0.63 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.91 3.78 -1.23 0.00 -1.26 -4.99 105.19 106.82 2uwq n GLY 39 Ca 0.55 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 2uwq n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2uwq s GLU 40 N -2.90 3.60 -0.28 1.61 4.04 -1.09 -5.04 118.70 118.64 2uwq s GLU 40 Ca 0.02 1.61 -0.03 0.00 0.04 0.00 0.00 54.97 56.60 2uwq s GLU 40 Cb -0.00 -2.17 0.09 0.00 0.02 0.00 0.00 34.13 32.07 2uwq s GLU 40 CO 0.47 -0.65 0.11 -1.12 -1.84 0.00 0.00 175.26 172.23 2uwq s SER 41 N -1.68 3.57 -0.29 0.83 0.01 -1.26 -4.98 113.70 109.90 2uwq s SER 41 Ca 0.68 -1.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2uwq s SER 41 Cb -0.24 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.45 2uwq s SER 41 CO 0.28 -0.41 0.03 0.47 0.41 0.00 0.00 173.24 174.02 2uwq n ASP 42 N 5.09 -7.18 -4.22 2.44 8.00 -1.26 -4.74 116.55 114.68 2uwq n ASP 42 Ca -0.05 1.43 -0.13 0.00 0.71 0.00 0.00 54.79 56.75 2uwq n ASP 42 Cb 0.43 -5.34 -0.10 0.00 -0.02 0.00 0.00 41.12 36.09 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 -3.39 1.02 0.09 0.00 -3.43 -1.12 -4.73 115.29 103.74 2uwq s HIS 44 Ca 0.15 -0.79 -0.04 0.00 -0.80 0.00 0.00 55.06 53.58 2uwq s HIS 44 Cb 0.03 -0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 30.57 2uwq s HIS 44 CO -0.01 -0.05 0.31 -1.17 -2.00 0.00 0.00 174.74 171.82 2uwq s LEU 45 N -2.85 4.32 0.16 5.38 2.96 0.06 -1.57 118.68 127.13 2uwq s LEU 45 Ca 0.10 0.51 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 2uwq s LEU 45 Cb 0.02 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 2uwq s LEU 45 CO -0.02 0.13 -0.10 0.00 -1.32 0.00 0.00 176.35 175.05 2uwq s ALA 46 N -1.53 2.95 -0.15 5.97 0.00 0.10 0.36 121.76 129.46 2uwq s ALA 46 Ca 0.36 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2uwq s ALA 46 Cb -0.13 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.27 2uwq s ALA 46 CO 0.23 0.51 0.06 -1.83 0.00 0.00 0.00 175.76 174.74 2uwq s GLU 47 N -2.67 0.26 -0.08 0.00 -1.05 -0.68 -1.60 118.70 112.88 2uwq s GLU 47 Ca 0.24 -0.10 0.03 0.00 -0.15 0.00 0.00 54.97 54.99 2uwq s GLU 47 Cb -0.09 -1.68 0.01 0.00 -0.44 0.00 0.00 34.13 31.93 2uwq s GLU 47 CO 0.15 -0.59 -0.19 0.08 0.95 0.00 0.00 175.26 175.66 2uwq s VAL 48 N 2.05 1.65 -0.10 1.83 1.01 -0.78 -0.61 120.40 125.45 2uwq s VAL 48 Ca 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2uwq s VAL 48 Cb -0.15 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2uwq s VAL 48 CO -0.08 0.47 0.22 -1.66 0.00 0.00 0.00 175.10 174.05 2uwq s TRP 49 N 0.48 -0.30 -1.68 5.22 -2.14 0.13 -0.52 118.94 120.13 2uwq s TRP 49 Ca -0.17 0.75 -0.18 0.00 2.66 0.00 0.00 56.10 59.16 2uwq s TRP 49 Cb -0.17 -0.03 0.16 0.00 -3.10 0.00 0.00 33.47 30.33 2uwq s TRP 49 CO 0.07 -0.25 0.78 0.00 -2.66 0.00 0.00 176.95 174.89 2uwq n GLY 51 N -1.37 2.30 3.51 0.00 0.00 -1.26 -5.00 105.19 103.37 2uwq n GLY 51 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.74 6.33 -0.17 1.61 0.01 0.32 -4.99 113.70 115.07 2uwq s SER 52 Ca 0.00 -1.15 -0.05 0.00 1.31 0.00 0.00 55.95 56.06 2uwq s SER 52 Cb 0.00 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2uwq s SER 52 CO 0.00 -1.50 -0.00 -1.83 0.41 0.00 0.00 173.24 170.32 2uwq s GLU 53 N 4.51 3.77 -0.01 12.44 -1.05 -1.26 0.22 118.70 137.32 2uwq s GLU 53 Ca 0.34 -0.46 -0.11 0.00 -0.15 0.00 0.00 54.97 54.59 2uwq s GLU 53 Cb -0.08 -3.02 0.01 0.00 -0.44 0.00 0.00 34.13 30.60 2uwq s GLU 53 CO 0.03 0.24 0.22 0.50 0.95 0.00 0.00 175.26 177.20 2uwq s ARG 54 N 0.40 0.55 0.16 -4.83 3.52 0.22 -4.97 118.95 114.00 2uwq s ARG 54 Ca -0.01 -0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.02 2uwq s ARG 54 Cb -0.14 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.42 2uwq s ARG 54 CO 0.02 -0.14 1.24 -2.14 -0.81 0.00 0.00 175.30 173.47 2uwq s PRO 55 N -1.26 4.44 -0.10 5.12 0.02 -1.26 -1.68 135.00 140.27 2uwq s PRO 55 Ca -0.13 1.92 0.04 0.00 0.02 0.00 0.00 61.00 62.85 2uwq s PRO 55 Cb -0.06 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2uwq s PRO 55 CO 0.03 -0.19 -0.24 0.54 -0.33 0.00 0.00 177.00 176.81 2uwq s VAL 56 N 0.27 2.04 0.32 3.83 0.11 0.16 -4.88 120.40 122.24 2uwq s VAL 56 Ca 0.56 -1.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 2uwq s VAL 56 Cb -0.34 -1.77 -0.10 0.00 -1.53 0.00 0.00 36.38 32.65 2uwq s VAL 56 CO 0.35 0.55 0.97 0.00 -3.33 0.00 0.00 175.10 173.65 2uwq s ALA 57 N 0.39 3.23 -0.22 1.54 0.00 -1.26 -0.76 121.76 124.67 2uwq s ALA 57 Ca -0.18 0.60 0.18 0.00 0.00 0.00 0.00 51.96 52.56 2uwq s ALA 57 Cb -0.18 -3.21 0.98 0.00 0.00 0.00 0.00 23.12 20.71 2uwq s ALA 57 CO 0.08 0.09 1.53 -0.25 0.00 0.00 0.00 175.76 177.21 2uwq n ASP 58 N 0.66 0.47 -1.47 0.00 8.00 -1.26 -1.10 116.55 121.85 2uwq n ASP 58 Ca 0.02 0.69 0.05 0.00 0.71 0.00 0.00 54.79 56.26 2uwq n ASP 58 Cb 0.49 -0.74 0.29 0.00 -0.02 0.00 0.00 41.12 41.14 2uwq n ASP 58 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2uwq n ASN 59 N -2.15 4.29 -4.74 -2.24 0.23 -1.26 -3.00 115.26 106.40 2uwq n ASN 59 Ca -0.01 -2.63 -0.39 0.00 -0.53 0.00 0.00 54.58 51.03 2uwq n ASN 59 Cb 0.09 -0.62 -0.06 0.00 -2.08 0.00 0.00 39.78 37.12 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2uwq s GLU 60 N -2.20 4.33 0.21 -3.83 0.41 -0.26 -4.87 118.70 112.48 2uwq s GLU 60 Ca 0.39 0.66 -0.28 0.00 -0.41 0.00 0.00 54.97 55.33 2uwq s GLU 60 Cb 0.29 -3.39 -0.09 0.00 -1.78 0.00 0.00 34.13 29.17 2uwq s GLU 60 CO 0.12 0.26 0.88 1.03 -0.49 0.00 0.00 175.26 177.05 2uwq s ARG 61 N 0.22 4.74 0.00 1.61 3.00 -1.26 -2.55 118.95 124.70 2uwq s ARG 61 Ca 0.30 1.35 0.00 0.00 0.00 0.00 0.00 55.73 57.39 2uwq s ARG 61 Cb -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.52 2uwq s ARG 61 CO 0.15 0.54 0.00 -0.12 0.00 0.00 0.00 175.30 175.87 2uwq n MET 62 N 1.51 0.00 -0.21 3.54 0.00 -1.25 0.56 117.12 121.26 2uwq n MET 62 Ca -0.03 0.00 0.25 0.00 -0.00 0.00 0.00 57.70 57.91 2uwq n MET 62 Cb 0.48 -0.23 0.63 0.00 0.00 0.00 0.00 33.22 34.10 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 0.25 -0.78 1.12 -1.00 -1.90 -1.68 116.94 112.95 2uwq h PHE 63 Ca 0.00 0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.96 2uwq h PHE 63 Cb 0.00 -0.08 -0.14 0.00 3.61 0.00 0.00 35.95 39.34 2uwq h PHE 63 CO 0.00 0.06 -0.08 0.22 -1.61 0.00 0.00 178.31 176.89 2uwq h ASP 64 N 0.18 -0.53 0.93 2.17 1.82 -0.26 0.64 116.42 121.37 2uwq h ASP 64 Ca 0.46 0.22 -0.21 0.00 -0.39 0.00 0.00 57.03 57.10 2uwq h ASP 64 Cb 1.49 0.42 -0.03 0.00 0.68 0.00 0.00 39.33 41.90 2uwq h ASP 64 CO -0.09 -0.23 -1.00 -0.37 -1.61 0.00 0.00 179.24 175.93 2uwq h VAL 65 N 0.05 1.68 0.00 2.25 -1.51 -0.30 -3.17 116.25 115.25 2uwq h VAL 65 Ca 0.41 -3.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.58 2uwq h VAL 65 Cb 0.70 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 2uwq h VAL 65 CO -0.75 0.95 0.00 -0.07 -1.23 0.00 0.00 177.57 176.47 2uwq h LEU 66 N 0.01 0.00 -0.49 4.19 3.38 0.51 -0.82 115.31 122.08 2uwq h LEU 66 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2uwq h LEU 66 Cb 1.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2uwq h LEU 66 CO 0.14 0.00 -0.43 -0.61 0.09 0.00 0.00 178.44 177.63 2uwq h GLN 67 N 0.00 0.00 0.00 1.13 -0.00 -0.61 -3.15 115.11 112.48 2uwq h GLN 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2uwq h GLN 67 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.51 2uwq h GLN 67 CO 0.00 0.43 -0.16 0.07 0.00 0.00 0.00 178.83 179.17 2uwq h ARG 68 N 0.00 0.00 -2.47 1.69 0.11 -1.33 -3.36 114.38 109.03 2uwq h ARG 68 Ca -0.00 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.64 2uwq h ARG 68 Cb 1.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.18 2uwq h ARG 68 CO 0.06 0.00 1.63 1.19 0.10 0.00 0.00 179.97 182.95 2uwq n PHE 69 N -2.98 1.22 0.00 4.08 3.72 -1.19 -4.92 117.46 117.39 2uwq n PHE 69 Ca 0.03 -2.27 0.00 0.00 -0.05 0.00 0.00 57.45 55.16 2uwq n PHE 69 Cb 0.53 -2.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 2uwq n PHE 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uwq n GLY 70 N 2.90 2.12 1.45 1.37 0.00 -1.26 -1.51 105.19 110.26 2uwq n GLY 70 Ca 0.60 0.40 0.01 0.00 0.00 0.00 0.00 46.02 47.03 2uwq n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2uwq n SER 71 N 8.50 1.74 -3.52 1.61 7.64 -1.26 -4.88 113.62 123.45 2uwq n SER 71 Ca 0.00 -2.82 -0.28 0.00 1.01 0.00 0.00 58.87 56.78 2uwq n SER 71 Cb 0.00 -0.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.68 2uwq n SER 71 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2uwq s GLN 72 N -1.98 0.94 0.36 1.43 1.11 -0.57 -4.96 119.66 116.00 2uwq s GLN 72 Ca 0.36 -1.86 0.19 0.00 0.01 0.00 0.00 55.36 54.07 2uwq s GLN 72 Cb 0.38 -1.68 0.53 0.00 -1.01 0.00 0.00 33.01 31.22 2uwq s GLN 72 CO -0.10 -1.27 1.66 0.07 0.01 0.00 0.00 175.29 175.67 2uwq h ARG 73 N 6.39 0.00 -0.96 2.91 0.11 -1.78 -3.12 114.38 117.93 2uwq h ARG 73 Ca 0.12 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.87 2uwq h ARG 73 Cb 0.93 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.81 2uwq h ARG 73 CO 0.37 0.36 0.43 0.09 0.10 0.00 0.00 179.97 181.32 2uwq n ASN 74 N -3.37 3.70 0.00 0.08 3.02 -1.26 -3.90 115.26 113.54 2uwq n ASN 74 Ca 0.01 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 2uwq n ASN 74 Cb 0.56 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.57 3.33 -3.37 3.52 4.07 -1.18 -5.07 120.64 121.38 2uwq n GLU 75 Ca 0.42 -0.12 -0.25 0.00 -0.06 0.00 0.00 57.16 57.14 2uwq n GLU 75 Cb 1.33 -0.54 -0.02 0.00 -0.06 0.00 0.00 31.44 32.15 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 -0.51 5.09 -0.06 6.31 0.11 -1.25 -4.20 120.40 125.88 2uwq s VAL 76 Ca 0.00 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2uwq s VAL 76 Cb 0.00 -3.82 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 2uwq s VAL 76 CO 0.00 -0.49 -0.23 -0.13 -3.33 0.00 0.00 175.10 170.92 2uwq s ARG 77 N -4.08 2.62 -0.14 1.54 0.52 0.33 -4.78 118.95 114.96 2uwq s ARG 77 Ca 0.41 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.70 2uwq s ARG 77 Cb -0.10 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2uwq s ARG 77 CO 0.34 0.39 0.06 -0.06 0.02 0.00 0.00 175.30 176.05 2uwq s PHE 78 N -0.17 3.29 -0.01 -0.53 0.40 -0.18 -1.87 117.98 118.91 2uwq s PHE 78 Ca -0.03 0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 2uwq s PHE 78 Cb -0.14 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.43 2uwq s PHE 78 CO 0.04 0.37 0.07 -0.06 0.70 0.00 0.00 175.22 176.33 2uwq s PHE 79 N -0.30 0.02 -0.25 0.36 0.08 -0.63 0.10 117.98 117.36 2uwq s PHE 79 Ca 0.08 -0.03 -0.17 0.00 0.12 0.00 0.00 56.93 56.93 2uwq s PHE 79 Cb -0.12 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 2uwq s PHE 79 CO 0.02 -0.13 0.48 -1.17 -0.10 0.00 0.00 175.22 174.32 2uwq s LEU 80 N -0.61 4.06 -0.22 -0.37 1.98 -0.84 0.03 118.68 122.71 2uwq s LEU 80 Ca -0.07 0.50 -0.07 0.00 -2.89 0.00 0.00 54.13 51.60 2uwq s LEU 80 Cb -0.04 -2.62 -0.03 0.00 0.66 0.00 0.00 46.19 44.16 2uwq s LEU 80 CO 0.00 -0.25 0.06 -0.13 -1.89 0.00 0.00 176.35 174.15 2uwq s ARG 81 N 2.14 3.75 -0.07 1.98 0.52 -0.61 -4.68 118.95 121.98 2uwq s ARG 81 Ca 0.20 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2uwq s ARG 81 Cb -0.16 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2uwq s ARG 81 CO 0.09 -0.03 -0.12 -1.01 0.02 0.00 0.00 175.30 174.26 2uwq s HIS 82 N 1.19 2.79 -0.37 -0.53 3.76 -1.26 -2.78 115.29 118.09 2uwq s HIS 82 Ca 0.04 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2uwq s HIS 82 Cb -0.14 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.88 2uwq s HIS 82 CO 0.03 0.18 0.59 -1.91 -0.85 0.00 0.00 174.74 172.78