#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre h SER -5 N 0.00 -0.97 -5.29 1.61 0.87 -2.13 -3.45 113.55 104.20 2yre h SER -5 Ca 0.00 0.29 0.28 0.00 -1.23 0.00 0.00 61.79 61.13 2yre h SER -5 Cb 0.00 0.61 -0.14 0.00 -0.44 0.00 0.00 62.40 62.43 2yre h SER -5 CO 0.00 -0.31 0.78 -0.94 -0.53 0.00 0.00 176.83 175.83 2yre s SER -4 N -5.27 -0.10 0.00 6.23 1.04 -1.26 -5.17 113.70 109.17 2yre s SER -4 Ca -0.15 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2yre s SER -4 Cb 0.25 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2yre s SER -4 CO 0.76 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2yre n GLY -3 N -0.37 0.12 3.30 7.32 0.00 -1.26 -5.04 105.19 109.26 2yre n GLY -3 Ca -0.06 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 2yre n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yre n SER -2 N 0.00 -5.30 -4.78 1.61 2.88 -1.26 -4.99 113.62 101.78 2yre n SER -2 Ca 0.00 -0.48 -0.36 0.00 -1.33 0.00 0.00 58.87 56.70 2yre n SER -2 Cb 0.00 -4.48 -0.07 0.00 -0.75 0.00 0.00 64.21 58.91 2yre n SER -2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yre s SER -1 N -3.41 6.13 -0.29 -3.46 0.01 -1.26 -5.07 113.70 106.35 2yre s SER -1 Ca 0.44 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 2yre s SER -1 Cb -0.19 -2.01 0.18 0.00 0.21 0.00 0.00 66.02 64.20 2yre s SER -1 CO 0.64 0.30 0.55 -0.83 0.41 0.00 0.00 173.24 174.31 2yre s GLY 0 N -0.37 -0.88 0.00 3.44 0.00 -1.26 -5.15 107.32 103.11 2yre s GLY 0 Ca 0.11 1.62 0.03 0.00 0.00 0.00 0.00 44.72 46.49 2yre s GLY 0 CO 0.01 3.23 -0.10 1.06 0.00 0.00 0.00 173.10 177.30 2yre s MET 1 N 2.79 0.78 -0.11 2.90 1.00 -1.26 -5.14 119.30 120.26 2yre s MET 1 Ca 0.19 -0.45 -0.06 0.00 0.00 0.00 0.00 55.69 55.38 2yre s MET 1 Cb -0.15 -0.75 0.05 0.00 0.00 0.00 0.00 34.83 33.98 2yre s MET 1 CO -0.20 0.20 0.26 -1.83 0.00 0.00 0.00 175.02 173.45 2yre s GLU 2 N -0.49 0.23 -0.45 2.03 4.04 -1.26 -5.12 118.70 117.69 2yre s GLU 2 Ca 0.02 0.54 -0.08 0.00 0.04 0.00 0.00 54.97 55.50 2yre s GLU 2 Cb -0.05 -0.10 0.11 0.00 0.02 0.00 0.00 34.13 34.11 2yre s GLU 2 CO -0.00 -0.16 0.29 -1.21 -1.84 0.00 0.00 175.26 172.35 2yre s GLU 3 N 1.21 2.39 -0.09 -4.83 0.41 -1.26 -5.05 118.70 111.48 2yre s GLU 3 Ca -0.09 -1.72 -0.38 0.00 -0.41 0.00 0.00 54.97 52.37 2yre s GLU 3 Cb -0.10 -3.81 -0.16 0.00 -1.78 0.00 0.00 34.13 28.28 2yre s GLU 3 CO -0.08 -1.12 1.54 -1.91 -0.49 0.00 0.00 175.26 173.20 2yre n GLU 4 N 4.83 1.15 -2.71 1.61 2.13 -1.26 -4.95 120.64 121.44 2yre n GLU 4 Ca -0.07 0.42 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 2yre n GLU 4 Cb 0.41 -2.08 0.04 0.00 0.27 0.00 0.00 31.44 30.08 2yre n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2yre s LEU 5 N 1.98 3.30 0.00 4.31 1.43 -1.26 -5.10 118.68 123.33 2yre s LEU 5 Ca 0.91 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 2yre s LEU 5 Cb -1.01 -2.70 0.19 0.00 0.03 0.00 0.00 46.19 42.71 2yre s LEU 5 CO 0.56 -1.16 0.49 0.00 0.23 0.00 0.00 176.35 176.46 2yre n GLN 6 N -2.31 -3.24 -3.64 1.70 3.00 -1.26 -4.99 117.38 106.64 2yre n GLN 6 Ca 0.09 -0.81 -0.36 0.00 -0.01 0.00 0.00 57.00 55.91 2yre n GLN 6 Cb 0.60 -0.98 -0.07 0.00 0.00 0.00 0.00 30.24 29.79 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2yre s HIS 7 N -1.69 3.51 0.48 1.08 3.76 -1.26 -4.95 115.29 116.22 2yre s HIS 7 Ca 0.36 0.58 0.34 0.00 -0.15 0.00 0.00 55.06 56.18 2yre s HIS 7 Cb -0.06 -2.22 1.46 0.00 1.11 0.00 0.00 32.58 32.88 2yre s HIS 7 CO 0.30 0.40 1.68 0.77 -0.85 0.00 0.00 174.74 177.03 2yre h SER 8 N 6.10 0.17 0.00 1.40 0.02 -1.65 0.36 113.55 119.96 2yre h SER 8 Ca -0.45 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2yre h SER 8 Cb 1.18 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2yre h SER 8 CO 0.71 -0.06 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.56 2yre h HIS 9 N 0.10 0.00 -1.00 3.45 -0.00 -0.84 -3.39 115.15 113.48 2yre h HIS 9 Ca 0.75 0.00 0.35 0.00 -0.00 0.00 0.00 60.37 61.47 2yre h HIS 9 Cb 2.57 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 29.80 2yre h HIS 9 CO -0.00 0.00 0.33 0.00 -0.00 0.00 0.00 177.93 178.25 2yre h VAL 11 N 0.02 0.13 -0.84 0.00 -1.51 -0.48 0.49 116.25 114.05 2yre h VAL 11 Ca 0.74 -0.04 -0.59 0.00 -1.23 0.00 0.00 66.70 65.58 2yre h VAL 11 Cb 1.80 0.00 -0.38 0.00 -2.13 0.00 0.00 31.29 30.58 2yre h VAL 11 CO -0.83 0.02 -0.26 0.59 -1.23 0.00 0.00 177.57 175.86 2yre n ASN 12 N -5.25 5.85 -4.09 4.19 3.02 0.20 -4.97 115.26 114.20 2yre n ASN 12 Ca 0.30 -3.76 -0.32 0.00 -0.03 0.00 0.00 54.58 50.77 2yre n ASN 12 Cb 1.00 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 39.45 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yre n VAL 14 N 4.54 0.10 -1.58 0.00 0.24 -1.26 -4.94 118.33 115.42 2yre n VAL 14 Ca -0.19 -0.04 -0.49 0.00 -2.04 0.00 0.00 64.34 61.58 2yre n VAL 14 Cb 0.50 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.27 2yre n VAL 14 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2yre n SER 15 N -2.55 1.44 0.02 -1.34 2.88 -1.26 -4.89 113.62 107.91 2yre n SER 15 Ca -0.03 1.14 -0.18 0.00 -1.33 0.00 0.00 58.87 58.47 2yre n SER 15 Cb 0.53 -1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 62.66 2yre n SER 15 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2yre h ARG 16 N 3.51 0.48 -1.91 -1.46 0.11 -1.97 -3.26 114.38 109.88 2yre h ARG 16 Ca -0.44 -0.53 -0.09 0.00 0.10 0.00 0.00 59.98 59.03 2yre h ARG 16 Cb 1.34 0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.53 2yre h ARG 16 CO 0.71 1.17 0.06 0.54 0.10 0.00 0.00 179.97 182.54 2yre n ARG 17 N -4.12 1.28 -1.98 0.08 5.12 -1.26 -4.64 116.66 111.13 2yre n ARG 17 Ca -0.11 -0.45 -0.43 0.00 -1.93 0.00 0.00 57.85 54.94 2yre n ARG 17 Cb 0.73 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.77 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yre n MET 19 N 7.72 2.98 -3.32 0.00 0.00 -1.26 -4.92 117.12 118.31 2yre n MET 19 Ca 0.20 -3.73 -0.38 0.00 0.00 0.00 0.00 57.70 53.79 2yre n MET 19 Cb 0.44 -2.27 -0.06 0.00 0.00 0.00 0.00 33.22 31.33 2yre n MET 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2yre s THR 20 N -5.03 4.98 0.00 3.17 2.01 -1.26 -5.01 115.64 114.50 2yre s THR 20 Ca 0.55 1.06 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 2yre s THR 20 Cb 0.45 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 2yre s THR 20 CO -0.20 0.46 1.94 -1.14 -0.69 0.00 0.00 174.62 174.99 2yre n ARG 21 N 2.56 2.64 -2.08 4.92 0.63 -1.26 -4.89 116.66 119.18 2yre n ARG 21 Ca -0.09 0.97 -0.42 0.00 -0.92 0.00 0.00 57.85 57.38 2yre n ARG 21 Cb 0.51 -2.89 -0.03 0.00 0.45 0.00 0.00 32.46 30.51 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2yre s PRO 22 N 4.23 3.31 0.42 -0.14 0.04 -1.26 -4.59 135.00 137.00 2yre s PRO 22 Ca 0.90 1.21 0.02 0.00 0.04 0.00 0.00 61.00 63.17 2yre s PRO 22 Cb -0.52 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 29.83 2yre s PRO 22 CO 0.45 -1.90 0.62 -1.21 0.04 0.00 0.00 177.00 175.01 2yre s GLU 23 N 5.66 3.07 0.00 4.56 0.41 0.60 -4.85 118.70 128.14 2yre s GLU 23 Ca 0.74 -0.63 0.03 0.00 -0.41 0.00 0.00 54.97 54.71 2yre s GLU 23 Cb -0.19 -2.62 0.20 0.00 -1.78 0.00 0.00 34.13 29.74 2yre s GLU 23 CO 0.32 -0.19 0.67 -0.35 -0.49 0.00 0.00 175.26 175.22 2yre n PRO 24 N -1.97 0.49 0.06 0.39 -0.04 -1.26 -4.07 135.00 128.59 2yre n PRO 24 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2yre n PRO 24 Cb 0.58 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2yre n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yre n GLY 25 N -0.02 -0.93 0.38 0.55 0.00 -1.26 -5.00 105.19 98.90 2yre n GLY 25 Ca 0.03 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2yre n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yre h ILE 26 N 0.00 0.00 -3.78 -0.61 5.03 -1.97 -3.35 117.51 112.83 2yre h ILE 26 Ca 0.00 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 64.50 2yre h ILE 26 Cb 0.00 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.64 2yre h ILE 26 CO 0.00 0.00 -0.70 -0.55 -0.68 0.00 0.00 178.15 176.22 2yre s SER 27 N -4.24 1.19 0.37 1.72 0.15 -1.26 -0.16 113.70 111.48 2yre s SER 27 Ca -0.13 -0.97 0.05 0.00 0.70 0.00 0.00 55.95 55.60 2yre s SER 27 Cb 0.05 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 2yre s SER 27 CO 0.48 -0.43 0.04 0.00 1.20 0.00 0.00 173.24 174.54 2yre s ASP 29 N -3.60 3.44 0.02 0.00 1.11 -1.26 -4.62 116.67 111.76 2yre s ASP 29 Ca 0.33 2.10 -0.01 0.00 0.18 0.00 0.00 52.55 55.15 2yre s ASP 29 Cb 0.08 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 2yre s ASP 29 CO 0.15 -2.76 0.14 -0.76 1.18 0.00 0.00 175.17 173.13 2yre s LEU 30 N -6.32 4.15 0.04 1.23 1.43 -1.26 -3.68 118.68 114.27 2yre s LEU 30 Ca 0.66 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2yre s LEU 30 Cb -0.22 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2yre s LEU 30 CO 0.56 0.23 -0.03 0.27 0.23 0.00 0.00 176.35 177.61 2yre s ILE 31 N -1.34 0.22 0.12 -0.59 -5.25 0.43 -4.89 121.20 109.90 2yre s ILE 31 Ca 0.28 -1.51 -0.17 0.00 -0.99 0.00 0.00 60.65 58.26 2yre s ILE 31 Cb -0.12 -1.10 -0.07 0.00 2.95 0.00 0.00 42.46 44.11 2yre s ILE 31 CO 0.20 -0.82 0.57 -0.83 -1.79 0.00 0.00 174.94 172.27 2yre s GLY 32 N -2.43 2.55 0.17 6.27 0.00 -1.26 -1.22 107.32 111.41 2yre s GLY 32 Ca -0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 44.72 44.34 2yre s GLY 32 CO -0.07 0.29 1.07 0.00 0.00 0.00 0.00 173.10 174.40 2yre n PRO 34 N 1.55 0.41 -0.17 0.00 -0.04 -1.26 -2.01 135.00 133.48 2yre n PRO 34 Ca 0.15 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2yre n PRO 34 Cb 0.24 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.37 2yre n PRO 34 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2yre n LEU 35 N -1.08 2.77 -3.85 1.53 4.77 -1.26 -4.97 117.00 114.91 2yre n LEU 35 Ca 0.10 -2.99 -0.29 0.00 -0.03 0.00 0.00 56.01 52.80 2yre n LEU 35 Cb 0.07 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2yre n LEU 35 CO 0.09 0.69 -0.09 1.33 -1.33 0.00 0.00 177.39 178.09 2yre n VAL 36 N -1.10 -0.29 0.30 4.08 0.24 -0.85 -4.75 118.33 115.96 2yre n VAL 36 Ca 0.17 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.66 2yre n VAL 36 Cb 0.69 -0.76 0.87 0.00 -1.47 0.00 0.00 33.84 33.17 2yre n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yre n GLY 38 N -0.39 0.56 3.63 0.00 0.00 -1.26 -5.02 105.19 102.70 2yre n GLY 38 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2yre n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre s ALA 39 N -1.77 -2.00 -0.31 4.61 0.00 -1.26 -5.09 121.76 115.94 2yre s ALA 39 Ca 0.00 2.31 -0.19 0.00 0.00 0.00 0.00 51.96 54.08 2yre s ALA 39 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2yre s ALA 39 CO 0.00 -0.91 0.55 0.08 0.00 0.00 0.00 175.76 175.48 2yre s VAL 40 N 2.86 5.00 0.26 0.00 1.01 -1.26 -2.74 120.40 125.53 2yre s VAL 40 Ca -0.06 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2yre s VAL 40 Cb -0.12 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2yre s VAL 40 CO -0.19 -0.12 0.09 0.72 0.00 0.00 0.00 175.10 175.60 2yre s PHE 41 N 2.45 1.54 0.31 5.22 -0.12 -0.36 -4.18 117.98 122.85 2yre s PHE 41 Ca 0.21 -1.17 -0.29 0.00 -0.05 0.00 0.00 56.93 55.64 2yre s PHE 41 Cb -0.15 -0.91 -0.10 0.00 -0.63 0.00 0.00 43.02 41.23 2yre s PHE 41 CO 0.12 -0.32 1.20 -1.01 -0.05 0.00 0.00 175.22 175.16 2yre s HIS 42 N -3.73 3.32 0.36 3.49 3.76 -1.26 -0.43 115.29 120.79 2yre s HIS 42 Ca 0.37 1.57 0.12 0.00 -0.15 0.00 0.00 55.06 56.97 2yre s HIS 42 Cb 0.08 -3.47 0.93 0.00 1.11 0.00 0.00 32.58 31.24 2yre s HIS 42 CO 0.13 -1.17 1.79 1.03 -0.85 0.00 0.00 174.74 175.68 2yre h SER 43 N 3.56 0.59 -0.14 1.40 0.87 -1.87 0.33 113.55 118.28 2yre h SER 43 Ca -0.48 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 2yre h SER 43 Cb 1.22 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2yre h SER 43 CO 0.66 0.19 -0.22 0.00 -0.53 0.00 0.00 176.83 176.93 2yre h LYS 45 N 0.51 0.36 -1.40 0.00 1.79 -0.82 -3.23 116.57 113.78 2yre h LYS 45 Ca 0.08 -0.31 0.45 0.00 -2.18 0.00 0.00 60.65 58.69 2yre h LYS 45 Cb 0.66 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 31.27 2yre h LYS 45 CO 0.05 0.96 0.94 0.00 -1.08 0.00 0.00 179.45 180.32 2yre n ALA 46 N -2.50 1.37 -0.15 3.86 0.00 -0.01 0.19 120.51 123.27 2yre n ALA 46 Ca -0.04 0.71 -0.08 0.00 0.00 0.00 0.00 53.44 54.03 2yre n ALA 46 Cb 0.73 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.22 2yre n ALA 46 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2yre h ASP 47 N 0.00 0.56 0.35 0.00 3.58 -1.71 -0.98 116.42 118.22 2yre h ASP 47 Ca 0.80 -0.08 -0.32 0.00 0.42 0.00 0.00 57.03 57.84 2yre h ASP 47 Cb 2.79 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 43.71 2yre h ASP 47 CO -0.28 0.48 -1.56 1.05 -2.88 0.00 0.00 179.24 176.04 2yre h GLU 48 N 0.59 0.36 0.10 0.28 4.11 0.19 -3.37 114.58 116.85 2yre h GLU 48 Ca 0.16 -0.61 0.02 0.00 0.07 0.00 0.00 59.36 58.99 2yre h GLU 48 Cb 0.04 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2yre h GLU 48 CO -0.03 1.26 -0.20 1.25 0.07 0.00 0.00 179.01 181.36 2yre h HIS 49 N 0.10 -0.52 -1.33 2.06 2.76 -0.54 -1.89 115.15 115.79 2yre h HIS 49 Ca -0.27 0.01 0.46 0.00 -2.20 0.00 0.00 60.37 58.37 2yre h HIS 49 Cb 2.07 0.22 -0.13 0.00 1.55 0.00 0.00 27.41 31.12 2yre h HIS 49 CO 0.09 -0.29 0.86 2.89 -1.30 0.00 0.00 177.93 180.18 2yre n ARG 50 N -5.32 -0.03 0.07 5.26 1.85 -0.38 0.11 116.66 118.21 2yre n ARG 50 Ca -0.06 1.17 -0.13 0.00 -1.00 0.00 0.00 57.85 57.83 2yre n ARG 50 Cb 0.24 -2.33 -0.08 0.00 -1.05 0.00 0.00 32.46 29.24 2yre n ARG 50 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2yre h LEU 51 N 0.00 -0.09 -0.03 2.89 3.38 -1.52 -3.23 115.31 116.71 2yre h LEU 51 Ca 0.83 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.65 2yre h LEU 51 Cb 2.72 0.02 0.01 0.00 0.09 0.00 0.00 40.66 43.50 2yre h LEU 51 CO -0.42 0.00 -0.33 -0.07 0.09 0.00 0.00 178.44 177.72 2yre h LEU 52 N -0.18 0.33 -5.20 1.67 3.38 0.69 -3.46 115.31 112.55 2yre h LEU 52 Ca -0.01 -0.72 -0.48 0.00 0.09 0.00 0.00 57.88 56.76 2yre h LEU 52 Cb 0.15 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2yre h LEU 52 CO 0.02 1.01 0.16 0.00 0.09 0.00 0.00 178.44 179.72 2yre h PRO 54 N 2.15 0.00 -0.57 0.00 0.13 -1.89 -3.08 132.00 128.73 2yre h PRO 54 Ca -0.28 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 2yre h PRO 54 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2yre h PRO 54 CO 0.44 0.48 -0.06 0.74 -0.23 0.00 0.00 178.00 179.38 2yre h PHE 55 N 0.00 1.16 -0.93 1.56 -1.00 -1.93 0.33 116.94 116.13 2yre h PHE 55 Ca -0.00 -0.22 -0.58 0.00 2.81 0.00 0.00 57.97 59.97 2yre h PHE 55 Cb 0.86 -0.29 0.10 0.00 3.61 0.00 0.00 35.95 40.23 2yre h PHE 55 CO 0.00 1.05 -0.50 -1.91 -1.61 0.00 0.00 178.31 175.34 2yre n GLU 56 N -4.16 0.00 -2.04 1.51 4.07 -1.17 -4.25 120.64 114.61 2yre n GLU 56 Ca 0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 2yre n GLU 56 Cb 0.38 -0.87 -0.03 0.00 -0.06 0.00 0.00 31.44 30.86 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2yre s ARG 57 N -0.87 4.24 0.01 5.31 3.52 -1.26 -3.32 118.95 126.57 2yre s ARG 57 Ca 0.55 2.21 -0.02 0.00 -0.13 0.00 0.00 55.73 58.34 2yre s ARG 57 Cb -0.79 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.10 2yre s ARG 57 CO 0.49 -0.64 0.02 0.14 -0.81 0.00 0.00 175.30 174.50 2yre s VAL 58 N 2.22 0.07 0.43 7.11 -7.23 0.30 -4.95 120.40 118.34 2yre s VAL 58 Ca 0.70 -0.55 -0.24 0.00 -1.81 0.00 0.00 61.98 60.07 2yre s VAL 58 Cb -0.38 -0.21 -0.08 0.00 0.56 0.00 0.00 36.38 36.27 2yre s VAL 58 CO 0.30 -0.30 1.18 -2.16 -0.31 0.00 0.00 175.10 173.81 2yre s PRO 59 N -0.92 3.90 0.07 4.82 0.04 -1.26 -1.80 135.00 139.85 2yre s PRO 59 Ca -0.10 1.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2yre s PRO 59 Cb -0.06 -2.55 -0.15 0.00 0.04 0.00 0.00 34.50 31.78 2yre s PRO 59 CO -0.00 -0.45 0.67 0.00 0.04 0.00 0.00 177.00 177.26 2yre h LEU 61 N 1.73 0.37 -4.14 0.00 3.38 -1.92 0.52 115.31 115.25 2yre h LEU 61 Ca -0.33 0.13 -0.58 0.00 0.09 0.00 0.00 57.88 57.19 2yre h LEU 61 Cb 1.14 0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.76 2yre h LEU 61 CO 0.49 -0.09 0.73 0.59 0.09 0.00 0.00 178.44 180.25 2yre n ASN 62 N -4.76 7.18 -0.20 -0.43 3.02 -1.26 -4.65 115.26 114.17 2yre n ASN 62 Ca 0.32 -3.53 -0.03 0.00 -0.03 0.00 0.00 54.58 51.32 2yre n ASN 62 Cb 1.15 -1.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.34 2yre n ASN 62 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yre h SER 63 N 2.21 0.43 -0.77 6.41 4.64 -0.24 -2.16 113.55 124.07 2yre h SER 63 Ca 0.49 0.04 0.18 0.00 -0.47 0.00 0.00 61.79 62.02 2yre h SER 63 Cb 0.67 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.59 2yre h SER 63 CO 1.25 0.28 0.12 0.44 -0.87 0.00 0.00 176.83 178.05 2yre h ASP 64 N 0.57 -0.13 -0.78 4.97 3.32 -1.84 0.16 116.42 122.69 2yre h ASP 64 Ca 0.27 0.18 0.12 0.00 0.02 0.00 0.00 57.03 57.62 2yre h ASP 64 Cb 0.19 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 2yre h ASP 64 CO -0.19 -0.12 0.38 -0.26 -1.72 0.00 0.00 179.24 177.33 2yre h PHE 65 N 0.19 0.66 0.00 4.55 -1.00 -1.77 -3.45 116.94 116.12 2yre h PHE 65 Ca 0.44 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2yre h PHE 65 Cb 0.80 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2yre h PHE 65 CO -0.32 0.18 0.00 0.41 -1.61 0.00 0.00 178.31 176.96 2yre n GLY 66 N -1.32 0.68 3.31 -1.45 0.00 0.56 -5.10 105.19 101.87 2yre n GLY 66 Ca 0.14 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2yre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre n PRO 68 N 4.86 0.08 -1.70 0.00 -0.04 -1.26 -4.45 135.00 132.49 2yre n PRO 68 Ca -0.13 0.33 -0.44 0.00 -0.04 0.00 0.00 63.50 63.22 2yre n PRO 68 Cb 0.46 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 2yre n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2yre n PHE 69 N -1.80 2.47 -4.07 0.54 3.01 -1.26 -4.92 117.46 111.44 2yre n PHE 69 Ca 0.03 0.26 -0.21 0.00 1.01 0.00 0.00 57.45 58.54 2yre n PHE 69 Cb 0.19 -2.56 -0.17 0.00 -0.01 0.00 0.00 39.48 36.93 2yre n PHE 69 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2yre s THR 70 N 0.50 0.50 0.22 4.37 -4.23 -1.26 -1.66 115.64 114.09 2yre s THR 70 Ca 0.72 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 2yre s THR 70 Cb -0.60 -0.56 0.04 0.00 1.34 0.00 0.00 72.50 72.73 2yre s THR 70 CO 0.42 0.23 0.56 1.15 -0.54 0.00 0.00 174.62 176.45 2yre n MET 71 N 4.30 0.66 -1.88 3.99 0.00 -0.74 -4.94 117.12 118.51 2yre n MET 71 Ca -0.21 -1.33 -0.38 0.00 0.00 0.00 0.00 57.70 55.77 2yre n MET 71 Cb 0.51 1.69 0.03 0.00 0.00 0.00 0.00 33.22 35.45 2yre n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre s ALA 72 N -1.70 2.94 0.66 3.17 0.00 -1.26 -0.54 121.76 125.03 2yre s ALA 72 Ca 0.12 1.29 0.37 0.00 0.00 0.00 0.00 51.96 53.74 2yre s ALA 72 Cb -0.03 -3.54 2.03 0.00 0.00 0.00 0.00 23.12 21.58 2yre s ALA 72 CO 0.07 -1.20 2.15 -0.09 0.00 0.00 0.00 175.76 176.69 2yre h ARG 73 N 1.77 0.00 0.00 0.00 2.43 -0.33 0.83 114.38 119.08 2yre h ARG 73 Ca -0.51 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.35 2yre h ARG 73 Cb 1.28 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 2yre h ARG 73 CO 0.59 0.00 -1.90 0.27 -1.51 0.00 0.00 179.97 177.42 2yre n ASN 74 N -3.02 0.70 0.18 -3.80 6.94 -1.12 -4.09 115.26 111.05 2yre n ASN 74 Ca -0.02 0.30 0.07 0.00 -0.02 0.00 0.00 54.58 54.90 2yre n ASN 74 Cb 0.23 0.18 0.21 0.00 -2.36 0.00 0.00 39.78 38.03 2yre n ASN 74 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2yre h LYS 75 N 0.00 0.00 -1.51 -3.83 1.79 -1.21 -3.26 116.57 108.55 2yre h LYS 75 Ca -0.36 0.00 0.46 0.00 -2.18 0.00 0.00 60.65 58.57 2yre h LYS 75 Cb 2.07 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.63 2yre h LYS 75 CO 0.07 0.32 1.03 -0.39 -1.08 0.00 0.00 179.45 179.40 2yre h VAL 76 N 0.00 0.15 0.16 0.50 -1.51 -1.22 -1.11 116.25 113.21 2yre h VAL 76 Ca -0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2yre h VAL 76 Cb 1.09 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2yre h VAL 76 CO 0.04 0.01 -0.14 0.00 -1.23 0.00 0.00 177.57 176.25 2yre h ALA 77 N 1.38 -0.90 -0.97 5.19 0.00 -1.83 0.41 119.26 122.53 2yre h ALA 77 Ca 0.81 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.97 2yre h ALA 77 Cb 2.88 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 20.87 2yre h ALA 77 CO -0.21 -0.90 0.46 0.93 0.00 0.00 0.00 179.25 179.53 2yre h GLU 78 N -0.30 0.24 -0.37 0.00 4.39 -1.47 0.50 114.58 117.57 2yre h GLU 78 Ca -0.02 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2yre h GLU 78 Cb 0.25 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2yre h GLU 78 CO -0.01 0.16 -0.21 1.25 -1.16 0.00 0.00 179.01 179.04 2yre h HIS 79 N 0.25 0.92 -0.77 4.33 2.76 -1.31 -2.94 115.15 118.39 2yre h HIS 79 Ca 0.70 -0.24 0.19 0.00 -2.20 0.00 0.00 60.37 58.82 2yre h HIS 79 Cb 1.59 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 2yre h HIS 79 CO -0.09 0.99 0.53 -0.07 -1.30 0.00 0.00 177.93 177.99 2yre h LEU 80 N 0.59 0.21 -0.65 0.26 3.38 0.45 0.49 115.31 120.04 2yre h LEU 80 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2yre h LEU 80 Cb 0.76 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2yre h LEU 80 CO 0.06 0.10 0.42 -0.33 0.09 0.00 0.00 178.44 178.77 2yre h GLU 81 N 0.22 0.81 -0.30 1.13 5.08 -1.23 -2.73 114.58 117.55 2yre h GLU 81 Ca 0.38 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 2yre h GLU 81 Cb 1.17 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 2yre h GLU 81 CO -0.08 0.53 -0.03 0.00 -1.00 0.00 0.00 179.01 178.43 2yre n MET 82 N -4.67 2.24 -3.04 2.33 0.00 -0.08 -5.01 117.12 108.89 2yre n MET 82 Ca 0.06 -3.01 -0.40 0.00 0.00 0.00 0.00 57.70 54.36 2yre n MET 82 Cb 0.06 -1.81 -0.05 0.00 0.00 0.00 0.00 33.22 31.41 2yre n MET 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre h PRO 84 N 5.63 0.83 -0.87 0.00 0.13 -1.89 -3.14 132.00 132.70 2yre h PRO 84 Ca -0.44 -0.44 0.01 0.00 -0.87 0.00 0.00 66.00 64.26 2yre h PRO 84 Cb 1.20 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2yre h PRO 84 CO 0.70 1.08 0.58 0.00 -0.23 0.00 0.00 178.00 180.13 2yre h ALA 85 N 0.86 1.38 0.00 -0.56 0.00 -1.93 -1.30 119.26 117.71 2yre h ALA 85 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yre h ALA 85 Cb 0.97 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2yre h ALA 85 CO 0.09 0.57 0.37 1.03 0.00 0.00 0.00 179.25 181.31 2yre h SER 86 N 1.18 0.00 -5.63 0.00 0.87 -1.85 -3.44 113.55 104.68 2yre h SER 86 Ca 0.32 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.50 2yre h SER 86 Cb -0.13 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.59 2yre h SER 86 CO -0.07 0.00 -0.55 1.33 -0.53 0.00 0.00 176.83 177.01 2yre n VAL 87 N -2.64 0.00 -4.64 2.23 0.24 -0.49 -4.85 118.33 108.18 2yre n VAL 87 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 2yre n VAL 87 Cb 0.40 -0.30 -0.15 0.00 -1.47 0.00 0.00 33.84 32.33 2yre n VAL 87 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2yre s SER 88 N -2.41 3.94 0.49 -1.34 0.15 -1.26 -5.12 113.70 108.15 2yre s SER 88 Ca 0.51 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.85 2yre s SER 88 Cb -0.30 -1.61 0.08 0.00 -1.71 0.00 0.00 66.02 62.48 2yre s SER 88 CO 0.63 0.13 0.65 0.61 1.20 0.00 0.00 173.24 176.46 2yre n GLY 89 N 3.77 1.73 3.56 9.45 0.00 -1.26 -5.00 105.19 117.44 2yre n GLY 89 Ca -0.18 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 2yre n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yre s PRO 90 N -4.14 2.58 -1.67 1.61 0.04 -1.26 -3.79 135.00 128.38 2yre s PRO 90 Ca 0.48 -0.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 2yre s PRO 90 Cb -0.04 -4.84 0.13 0.00 0.04 0.00 0.00 34.50 29.79 2yre s PRO 90 CO 0.31 -3.16 0.69 -1.13 0.04 0.00 0.00 177.00 173.75 2yre n SER 91 N 13.56 -2.60 -0.00 6.66 3.41 -1.26 -4.85 113.62 128.54 2yre n SER 91 Ca 0.34 -1.04 -0.17 0.00 -0.26 0.00 0.00 58.87 57.74 2yre n SER 91 Cb 0.49 -2.68 -0.10 0.00 -0.26 0.00 0.00 64.21 61.65 2yre n SER 91 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2yre h SER 92 N -1.52 0.53 0.00 4.04 0.02 -1.98 -3.56 113.55 111.08 2yre h SER 92 Ca -0.60 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 59.62 2yre h SER 92 Cb 1.38 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2yre h SER 92 CO 0.76 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 178.26