#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre s SER -5 N 0.00 0.66 -0.16 1.61 0.01 -1.26 -5.15 113.70 109.41 2yre s SER -5 Ca 0.00 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2yre s SER -5 Cb 0.00 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.32 2yre s SER -5 CO 0.00 -0.01 1.00 -0.55 0.41 0.00 0.00 173.24 174.09 2yre s SER -4 N -0.52 -0.37 -0.23 2.44 0.15 -1.26 -5.18 113.70 108.73 2yre s SER -4 Ca -0.01 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 2yre s SER -4 Cb -0.04 0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.70 2yre s SER -4 CO -0.00 -0.34 1.00 -0.83 1.20 0.00 0.00 173.24 174.28 2yre s GLY -3 N -1.09 -0.21 0.26 9.45 0.00 -1.26 -5.18 107.32 109.29 2yre s GLY -3 Ca -0.02 2.41 -0.21 0.00 0.00 0.00 0.00 44.72 46.91 2yre s GLY -3 CO 0.01 1.54 0.69 -1.35 0.00 0.00 0.00 173.10 173.99 2yre s SER -2 N -0.26 -0.28 -0.18 1.64 1.04 -1.26 -5.19 113.70 109.22 2yre s SER -2 Ca 0.01 -0.57 -0.35 0.00 0.48 0.00 0.00 55.95 55.52 2yre s SER -2 Cb -0.03 0.70 0.14 0.00 0.10 0.00 0.00 66.02 66.93 2yre s SER -2 CO -0.03 -1.29 1.19 -0.94 0.98 0.00 0.00 173.24 173.15 2yre s SER -1 N -2.91 -0.15 0.00 7.02 1.04 -1.26 -5.16 113.70 112.28 2yre s SER -1 Ca 0.11 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2yre s SER -1 Cb -0.05 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2yre s SER -1 CO 0.05 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2yre n GLY 0 N -0.11 1.13 3.07 7.32 0.00 -1.26 -5.14 105.19 110.20 2yre n GLY 0 Ca -0.00 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2yre n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2yre s MET 1 N -0.08 2.38 -0.03 1.61 -2.45 -1.26 -5.10 119.30 114.36 2yre s MET 1 Ca 0.00 -1.12 0.01 0.00 -1.25 0.00 0.00 55.69 53.32 2yre s MET 1 Cb 0.00 -2.72 0.03 0.00 1.25 0.00 0.00 34.83 33.38 2yre s MET 1 CO 0.00 -0.46 -0.01 -1.83 1.05 0.00 0.00 175.02 173.77 2yre s GLU 2 N 1.21 0.41 -0.01 4.11 -1.05 -1.26 -5.15 118.70 116.95 2yre s GLU 2 Ca -0.04 0.03 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 2yre s GLU 2 Cb -0.18 -0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 32.94 2yre s GLU 2 CO -0.08 -0.12 -0.17 -1.83 0.95 0.00 0.00 175.26 174.01 2yre s GLU 3 N 0.96 2.30 0.64 -4.83 -1.05 -1.26 -5.11 118.70 110.36 2yre s GLU 3 Ca -0.10 -0.83 -0.17 0.00 -0.15 0.00 0.00 54.97 53.72 2yre s GLU 3 Cb -0.14 -2.26 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 2yre s GLU 3 CO -0.01 0.59 0.86 -0.85 0.95 0.00 0.00 175.26 176.79 2yre n GLU 4 N 2.07 0.68 -4.32 -4.83 0.28 -1.26 -5.02 120.64 108.24 2yre n GLU 4 Ca -0.17 0.28 -0.28 0.00 -0.16 0.00 0.00 57.16 56.83 2yre n GLU 4 Cb 0.52 -2.08 -0.06 0.00 1.43 0.00 0.00 31.44 31.25 2yre n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2yre s LEU 5 N -1.75 2.66 1.38 -1.84 1.43 -1.26 -5.14 118.68 114.17 2yre s LEU 5 Ca 0.74 -1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2yre s LEU 5 Cb -0.39 -1.06 0.35 0.00 0.03 0.00 0.00 46.19 45.12 2yre s LEU 5 CO 0.49 -0.83 0.97 -1.10 0.23 0.00 0.00 176.35 176.12 2yre s GLN 6 N -4.00 -2.62 -0.16 1.70 -0.21 -1.26 -5.03 119.66 108.08 2yre s GLN 6 Ca 0.25 0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.70 2yre s GLN 6 Cb 0.02 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.61 2yre s GLN 6 CO 0.14 -4.65 -0.19 -1.01 -2.12 0.00 0.00 175.29 167.46 2yre s HIS 7 N -2.45 2.75 0.27 0.91 3.76 -1.26 -4.99 115.29 114.28 2yre s HIS 7 Ca 0.69 -1.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.20 2yre s HIS 7 Cb -0.12 -1.89 0.57 0.00 1.11 0.00 0.00 32.58 32.26 2yre s HIS 7 CO 0.57 -0.66 1.61 1.03 -0.85 0.00 0.00 174.74 176.45 2yre h SER 8 N 7.61 -0.36 0.38 1.40 0.87 -1.62 0.33 113.55 122.16 2yre h SER 8 Ca -0.38 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2yre h SER 8 Cb 1.17 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2yre h SER 8 CO 0.59 -0.23 -0.18 -0.74 -0.53 0.00 0.00 176.83 175.73 2yre h HIS 9 N 0.09 -0.48 -0.61 2.24 -0.00 -1.01 -3.03 115.15 112.35 2yre h HIS 9 Ca 0.49 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.94 2yre h HIS 9 Cb 0.93 0.16 -0.11 0.00 -0.00 0.00 0.00 27.41 28.39 2yre h HIS 9 CO -0.44 -0.30 -0.44 0.00 -0.00 0.00 0.00 177.93 176.75 2yre h VAL 11 N -0.21 0.19 -0.41 0.00 -1.51 -0.44 0.62 116.25 114.48 2yre h VAL 11 Ca 0.18 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.35 2yre h VAL 11 Cb 0.56 0.36 -0.26 0.00 -2.13 0.00 0.00 31.29 29.83 2yre h VAL 11 CO -0.71 0.00 -0.72 0.59 -1.23 0.00 0.00 177.57 175.50 2yre n ASN 12 N -3.46 3.33 -3.91 4.19 3.02 0.29 -4.96 115.26 113.76 2yre n ASN 12 Ca 0.14 -3.66 -0.30 0.00 -0.03 0.00 0.00 54.58 50.72 2yre n ASN 12 Cb 1.01 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 39.61 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 2.96 -4.04 0.00 0.24 -1.26 -4.92 118.33 115.84 2yre n VAL 14 Ca -0.02 -2.17 -0.27 0.00 -2.04 0.00 0.00 64.34 59.84 2yre n VAL 14 Cb 0.42 -0.41 -0.05 0.00 -1.47 0.00 0.00 33.84 32.34 2yre n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2yre s SER 15 N -1.70 5.74 -0.23 -1.34 0.15 -1.26 -5.05 113.70 110.01 2yre s SER 15 Ca 0.53 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.98 2yre s SER 15 Cb 0.45 -1.57 -0.11 0.00 -1.71 0.00 0.00 66.02 63.09 2yre s SER 15 CO 0.07 0.08 -0.24 -1.14 1.20 0.00 0.00 173.24 173.21 2yre n ARG 16 N -0.31 0.55 -0.28 5.44 0.63 -1.26 -4.39 116.66 117.05 2yre n ARG 16 Ca -0.08 0.33 -0.05 0.00 -0.92 0.00 0.00 57.85 57.13 2yre n ARG 16 Cb 0.54 -1.54 0.05 0.00 0.45 0.00 0.00 32.46 31.96 2yre n ARG 16 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2yre n ARG 17 N -4.38 1.33 -1.65 -0.14 3.00 -1.26 -4.73 116.66 108.84 2yre n ARG 17 Ca -0.35 -0.69 -0.48 0.00 -0.01 0.00 0.00 57.85 56.33 2yre n ARG 17 Cb 0.69 -1.30 -0.05 0.00 0.00 0.00 0.00 32.46 31.80 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yre n MET 19 N 7.13 3.70 -3.98 0.00 2.81 -1.26 -4.90 117.12 120.62 2yre n MET 19 Ca 0.25 -4.81 -0.34 0.00 -1.81 0.00 0.00 57.70 50.99 2yre n MET 19 Cb 0.31 -2.29 -0.06 0.00 -0.71 0.00 0.00 33.22 30.48 2yre n MET 19 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2yre s THR 20 N -4.49 5.19 0.04 2.03 2.01 -1.26 -5.04 115.64 114.10 2yre s THR 20 Ca 0.47 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 2yre s THR 20 Cb 0.27 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 2yre s THR 20 CO -0.14 0.43 1.93 -1.14 -0.69 0.00 0.00 174.62 175.01 2yre n ARG 21 N 1.36 2.75 -2.09 4.92 0.63 -1.26 -4.90 116.66 118.07 2yre n ARG 21 Ca -0.14 1.01 -0.43 0.00 -0.92 0.00 0.00 57.85 57.36 2yre n ARG 21 Cb 0.53 -2.94 -0.03 0.00 0.45 0.00 0.00 32.46 30.48 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 4.05 3.46 0.31 -0.14 0.04 -1.26 -4.66 135.00 136.81 2yre s PRO 22 Ca 0.88 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.32 2yre s PRO 22 Cb -0.48 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 29.90 2yre s PRO 22 CO 0.43 -1.70 0.46 -1.21 0.04 0.00 0.00 177.00 175.02 2yre s GLU 23 N 5.34 3.32 0.00 4.56 0.41 0.68 -4.86 118.70 128.15 2yre s GLU 23 Ca 0.75 -0.71 0.07 0.00 -0.41 0.00 0.00 54.97 54.66 2yre s GLU 23 Cb -0.21 -2.79 0.41 0.00 -1.78 0.00 0.00 34.13 29.76 2yre s GLU 23 CO 0.33 0.20 0.87 -0.35 -0.49 0.00 0.00 175.26 175.82 2yre n PRO 24 N -1.62 0.49 0.20 0.39 -0.04 -1.26 -4.06 135.00 129.10 2yre n PRO 24 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2yre n PRO 24 Cb 0.57 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.58 0.15 0.55 0.00 -1.26 -5.00 105.19 98.03 2yre n GLY 25 Ca 0.05 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.35 -0.61 5.03 -1.95 -3.34 117.51 112.29 2yre h ILE 26 Ca 0.00 0.00 -0.18 0.00 -0.12 0.00 0.00 64.86 64.56 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 -0.65 -0.94 -0.68 0.00 0.00 178.15 175.88 2yre s SER 27 N -3.44 0.40 0.42 1.72 1.04 -1.26 -0.40 113.70 112.18 2yre s SER 27 Ca -0.05 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.24 2yre s SER 27 Cb 0.03 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 2yre s SER 27 CO 0.20 -0.70 0.04 0.00 0.98 0.00 0.00 173.24 173.77 2yre s ASP 29 N -3.68 4.55 -0.08 0.00 1.11 -1.26 -4.59 116.67 112.71 2yre s ASP 29 Ca 0.25 2.01 -0.04 0.00 0.18 0.00 0.00 52.55 54.95 2yre s ASP 29 Cb 0.06 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 2yre s ASP 29 CO 0.13 -2.01 0.08 -0.76 1.18 0.00 0.00 175.17 173.79 2yre s LEU 30 N -5.44 4.02 0.08 1.23 1.43 -1.26 -2.34 118.68 116.40 2yre s LEU 30 Ca 0.66 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 2yre s LEU 30 Cb -0.21 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2yre s LEU 30 CO 0.49 0.37 -0.09 0.27 0.23 0.00 0.00 176.35 177.62 2yre s ILE 31 N -1.02 0.80 0.06 -0.59 -5.25 -0.60 -4.86 121.20 109.73 2yre s ILE 31 Ca 0.16 -1.58 -0.20 0.00 -0.99 0.00 0.00 60.65 58.04 2yre s ILE 31 Cb -0.12 -1.27 -0.06 0.00 2.95 0.00 0.00 42.46 43.96 2yre s ILE 31 CO 0.06 -0.59 0.58 -0.83 -1.79 0.00 0.00 174.94 172.36 2yre s GLY 32 N -2.39 2.66 0.07 6.27 0.00 -1.26 -2.75 107.32 109.93 2yre s GLY 32 Ca 0.03 0.04 -0.35 0.00 0.00 0.00 0.00 44.72 44.44 2yre s GLY 32 CO -0.01 0.53 0.85 0.00 0.00 0.00 0.00 173.10 174.47 2yre n PRO 34 N 1.29 0.49 -0.09 0.00 -0.04 -1.26 -1.95 135.00 133.45 2yre n PRO 34 Ca 0.19 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 2yre n PRO 34 Cb 0.14 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.99 2.42 -3.42 1.53 4.77 -1.26 -4.97 117.00 115.08 2yre n LEU 35 Ca 0.12 -2.82 -0.22 0.00 -0.03 0.00 0.00 56.01 53.05 2yre n LEU 35 Cb 0.05 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2yre n LEU 35 CO 0.09 0.66 -0.06 1.33 -1.33 0.00 0.00 177.39 178.08 2yre n VAL 36 N -1.11 -0.52 0.26 4.08 0.24 -0.82 -4.77 118.33 115.68 2yre n VAL 36 Ca 0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.53 2yre n VAL 36 Cb 0.57 -1.09 0.67 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.02 0.58 3.38 0.00 0.00 -1.26 -5.06 105.19 101.81 2yre n GLY 38 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.06 -1.24 -0.28 4.61 0.00 -1.26 -5.09 121.76 117.44 2yre s ALA 39 Ca 0.00 1.58 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 2yre s ALA 39 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2yre s ALA 39 CO 0.00 -0.26 0.09 0.08 0.00 0.00 0.00 175.76 175.67 2yre s VAL 40 N 0.86 4.29 0.23 0.00 1.01 -1.26 -2.71 120.40 122.82 2yre s VAL 40 Ca -0.05 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2yre s VAL 40 Cb -0.05 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2yre s VAL 40 CO -0.07 0.20 0.05 0.72 0.00 0.00 0.00 175.10 175.99 2yre s PHE 41 N 1.58 1.45 0.09 5.22 -0.71 -1.11 -4.59 117.98 119.92 2yre s PHE 41 Ca 0.05 -1.08 -0.31 0.00 -1.04 0.00 0.00 56.93 54.55 2yre s PHE 41 Cb -0.16 -0.85 -0.07 0.00 -1.21 0.00 0.00 43.02 40.73 2yre s PHE 41 CO 0.04 -0.24 1.35 -1.01 -1.34 0.00 0.00 175.22 174.02 2yre s HIS 42 N -3.65 3.26 0.27 3.49 3.76 -1.26 -1.56 115.29 119.60 2yre s HIS 42 Ca 0.32 1.02 0.14 0.00 -0.15 0.00 0.00 55.06 56.39 2yre s HIS 42 Cb 0.07 -3.62 0.95 0.00 1.11 0.00 0.00 32.58 31.09 2yre s HIS 42 CO 0.10 -2.13 1.19 -1.13 -0.85 0.00 0.00 174.74 171.91 2yre n SER 43 N 4.06 0.21 -0.08 1.40 3.41 -0.99 0.24 113.62 121.86 2yre n SER 43 Ca 0.11 1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 59.86 2yre n SER 43 Cb 0.43 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 2yre n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yre h LYS 45 N 0.22 0.38 -0.89 0.00 1.79 0.27 -3.08 116.57 115.25 2yre h LYS 45 Ca 0.06 -0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 2yre h LYS 45 Cb 0.51 -0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 30.96 2yre h LYS 45 CO 0.02 0.35 -0.40 0.00 -1.08 0.00 0.00 179.45 178.35 2yre n ALA 46 N -2.49 -0.25 -0.35 3.86 0.00 -0.13 0.26 120.51 121.41 2yre n ALA 46 Ca 0.01 0.84 0.02 0.00 0.00 0.00 0.00 53.44 54.32 2yre n ALA 46 Cb 0.16 -0.31 0.09 0.00 0.00 0.00 0.00 19.45 19.39 2yre n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2yre h ASP 47 N 0.00 -1.12 0.13 0.00 3.32 -1.69 0.19 116.42 117.26 2yre h ASP 47 Ca 0.26 0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.59 2yre h ASP 47 Cb 0.48 0.66 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2yre h ASP 47 CO -0.87 -0.31 -0.06 -0.33 -1.72 0.00 0.00 179.24 175.96 2yre h GLU 48 N -0.01 -0.16 -0.81 3.56 4.39 -0.39 -3.32 114.58 117.84 2yre h GLU 48 Ca 0.41 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.23 2yre h GLU 48 Cb 0.65 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.21 2yre h GLU 48 CO -0.97 0.30 -0.44 1.25 -1.16 0.00 0.00 179.01 177.99 2yre h HIS 49 N -0.78 -1.29 -1.26 4.33 -0.00 0.60 0.59 115.15 117.35 2yre h HIS 49 Ca -0.02 0.10 0.45 0.00 -0.00 0.00 0.00 60.37 60.90 2yre h HIS 49 Cb 0.54 0.68 -0.15 0.00 -0.00 0.00 0.00 27.41 28.49 2yre h HIS 49 CO 0.09 -0.40 0.78 0.00 -0.00 0.00 0.00 177.93 178.40 2yre h ARG 50 N -0.10 0.04 -0.56 5.26 3.08 -0.77 1.17 114.38 122.49 2yre h ARG 50 Ca 0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2yre h ARG 50 Cb 0.55 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2yre h ARG 50 CO -0.84 0.02 0.36 -0.07 -1.07 0.00 0.00 179.97 178.37 2yre h LEU 51 N 0.04 0.66 0.00 3.04 3.38 0.08 -3.24 115.31 119.27 2yre h LEU 51 Ca 0.85 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.76 2yre h LEU 51 Cb 2.58 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 43.16 2yre h LEU 51 CO -0.54 0.50 -0.15 -0.07 0.09 0.00 0.00 178.44 178.28 2yre h LEU 52 N 0.76 0.00 -5.69 1.67 3.38 0.12 -3.47 115.31 112.08 2yre h LEU 52 Ca 0.20 -0.81 -0.50 0.00 0.09 0.00 0.00 57.88 56.86 2yre h LEU 52 Cb -0.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2yre h LEU 52 CO -0.04 0.99 0.03 0.00 0.09 0.00 0.00 178.44 179.51 2yre h PRO 54 N 1.89 0.64 -0.51 0.00 0.13 -1.90 -3.03 132.00 129.22 2yre h PRO 54 Ca -0.32 -0.34 0.10 0.00 -0.87 0.00 0.00 66.00 64.57 2yre h PRO 54 Cb 0.90 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 2yre h PRO 54 CO 0.41 0.94 0.35 0.74 -0.23 0.00 0.00 178.00 180.21 2yre h PHE 55 N 0.52 0.27 -1.22 1.56 -1.00 -1.93 0.56 116.94 115.71 2yre h PHE 55 Ca 0.04 0.01 -0.77 0.00 2.81 0.00 0.00 57.97 60.05 2yre h PHE 55 Cb 0.95 -0.09 0.04 0.00 3.61 0.00 0.00 35.95 40.46 2yre h PHE 55 CO 0.04 0.13 0.33 -1.91 -1.61 0.00 0.00 178.31 175.29 2yre n GLU 56 N -4.45 0.38 -1.74 1.51 0.00 -1.15 -4.23 120.64 110.97 2yre n GLU 56 Ca 0.08 0.14 -0.43 0.00 0.00 0.00 0.00 57.16 56.95 2yre n GLU 56 Cb 0.40 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2yre s ARG 57 N 0.90 3.50 0.07 5.31 3.52 -1.26 -3.76 118.95 127.24 2yre s ARG 57 Ca 0.92 2.06 0.09 0.00 -0.13 0.00 0.00 55.73 58.67 2yre s ARG 57 Cb -1.21 -4.25 -0.03 0.00 -1.56 0.00 0.00 34.95 27.89 2yre s ARG 57 CO 0.59 -1.67 -0.24 0.14 -0.81 0.00 0.00 175.30 173.31 2yre s VAL 58 N 6.74 1.96 0.44 7.11 -7.23 0.98 -4.88 120.40 125.52 2yre s VAL 58 Ca 0.91 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 2yre s VAL 58 Cb -0.33 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 2yre s VAL 58 CO 0.36 0.20 1.17 -2.16 -0.31 0.00 0.00 175.10 174.36 2yre s PRO 59 N -1.48 3.84 -0.28 4.82 0.04 -1.26 -1.26 135.00 139.43 2yre s PRO 59 Ca 0.10 1.81 -0.42 0.00 0.04 0.00 0.00 61.00 62.53 2yre s PRO 59 Cb -0.10 -2.49 -0.17 0.00 0.04 0.00 0.00 34.50 31.78 2yre s PRO 59 CO 0.03 -0.49 1.59 0.00 0.04 0.00 0.00 177.00 178.18 2yre n LEU 61 N 4.27 0.22 -2.02 0.00 4.77 -1.26 0.19 117.00 123.16 2yre n LEU 61 Ca 0.26 1.11 -0.16 0.00 -0.03 0.00 0.00 56.01 57.19 2yre n LEU 61 Cb 0.07 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2yre n LEU 61 CO 0.80 -1.24 1.36 0.59 -1.33 0.00 0.00 177.39 177.56 2yre n ASN 62 N -4.53 6.09 -0.23 -1.43 3.02 -1.26 -4.52 115.26 112.40 2yre n ASN 62 Ca 0.25 -2.91 -0.06 0.00 -0.03 0.00 0.00 54.58 51.83 2yre n ASN 62 Cb 0.84 -1.18 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 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 2.09 0.81 -0.89 6.41 4.64 0.17 -3.04 113.55 123.75 2yre h SER 63 Ca 0.26 -0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.60 2yre h SER 63 Cb 0.97 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.71 2yre h SER 63 CO 0.59 0.68 -0.42 -0.78 -0.87 0.00 0.00 176.83 176.03 2yre h ASP 64 N 0.87 -1.53 -0.97 4.97 3.58 -1.84 0.65 116.42 122.15 2yre h ASP 64 Ca 0.22 0.30 0.23 0.00 0.42 0.00 0.00 57.03 58.20 2yre h ASP 64 Cb 0.07 0.76 -0.12 0.00 1.72 0.00 0.00 39.33 41.75 2yre h ASP 64 CO -0.03 -0.29 0.53 -0.26 -2.88 0.00 0.00 179.24 176.31 2yre h PHE 65 N -0.05 0.91 0.00 0.28 -1.00 -1.91 -3.45 116.94 111.71 2yre h PHE 65 Ca 0.28 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2yre h PHE 65 Cb 0.56 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.87 2yre h PHE 65 CO -0.85 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 176.31 2yre n GLY 66 N -1.32 0.87 3.50 -1.45 0.00 0.22 -5.11 105.19 101.91 2yre n GLY 66 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 6.13 0.01 -1.71 0.00 -0.04 -1.26 -4.40 135.00 133.72 2yre n PRO 68 Ca -0.04 0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 63.26 2yre n PRO 68 Cb 0.47 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.54 2.52 -3.91 0.54 3.01 -1.26 -4.91 117.46 111.91 2yre n PHE 69 Ca 0.03 0.39 -0.16 0.00 1.01 0.00 0.00 57.45 58.73 2yre n PHE 69 Cb 0.17 -2.51 -0.16 0.00 -0.01 0.00 0.00 39.48 36.97 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 -0.33 0.12 0.31 4.37 -4.23 -1.26 -1.59 115.64 113.03 2yre s THR 70 Ca 0.63 0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 61.02 2yre s THR 70 Cb -0.56 -0.19 0.05 0.00 1.34 0.00 0.00 72.50 73.14 2yre s THR 70 CO 0.53 0.11 0.83 0.00 -0.54 0.00 0.00 174.62 175.54 2yre s MET 71 N 0.75 1.91 0.57 3.99 0.23 -0.39 -4.90 119.30 121.45 2yre s MET 71 Ca -0.07 -1.18 -0.19 0.00 -1.03 0.00 0.00 55.69 53.22 2yre s MET 71 Cb -0.10 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 2yre s MET 71 CO -0.02 -0.89 1.17 0.00 -2.03 0.00 0.00 175.02 173.26 2yre s ALA 72 N -2.74 2.63 0.32 3.16 0.00 -1.26 -0.01 121.76 123.85 2yre s ALA 72 Ca 0.15 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.09 2yre s ALA 72 Cb -0.05 -3.41 0.68 0.00 0.00 0.00 0.00 23.12 20.34 2yre s ALA 72 CO 0.09 -0.98 1.86 0.00 0.00 0.00 0.00 175.76 176.73 2yre h ARG 73 N 1.07 0.82 -0.14 0.00 3.08 0.05 0.55 114.38 119.81 2yre h ARG 73 Ca -0.50 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2yre h ARG 73 Cb 1.28 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2yre h ARG 73 CO 0.56 0.55 0.00 -1.71 -1.07 0.00 0.00 179.97 178.30 2yre n ASN 74 N -4.58 0.66 0.00 7.04 5.15 -1.25 -3.43 115.26 118.85 2yre n ASN 74 Ca 0.18 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.15 2yre n ASN 74 Cb 0.40 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2yre n LYS 75 N -0.15 2.84 -0.30 1.20 4.01 0.15 -4.76 118.16 121.15 2yre n LYS 75 Ca 0.04 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.94 2yre n LYS 75 Cb 0.11 -0.92 0.22 0.00 -0.51 0.00 0.00 35.03 33.93 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2yre h VAL 76 N 0.00 0.20 -0.62 -0.18 2.07 -0.52 -1.56 116.25 115.64 2yre h VAL 76 Ca 0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2yre h VAL 76 Cb 0.66 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2yre h VAL 76 CO 0.00 0.01 -0.36 0.00 0.02 0.00 0.00 177.57 177.24 2yre n ALA 77 N -3.03 -0.40 -0.28 1.67 0.00 -1.26 -0.09 120.51 117.13 2yre n ALA 77 Ca 0.18 0.53 0.07 0.00 0.00 0.00 0.00 53.44 54.22 2yre n ALA 77 Cb 0.61 0.10 0.19 0.00 0.00 0.00 0.00 19.45 20.35 2yre n ALA 77 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yre h GLU 78 N 0.00 0.10 0.00 0.00 3.07 -1.63 0.42 114.58 116.54 2yre h GLU 78 Ca 0.10 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2yre h GLU 78 Cb 0.25 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2yre h GLU 78 CO -0.58 0.06 -0.01 1.25 -1.40 0.00 0.00 179.01 178.34 2yre h HIS 79 N 0.10 -0.02 -1.27 4.33 -0.00 -0.45 -2.25 115.15 115.59 2yre h HIS 79 Ca 0.46 0.00 0.38 0.00 -0.00 0.00 0.00 60.37 61.21 2yre h HIS 79 Cb 0.84 0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 28.16 2yre h HIS 79 CO -0.43 -0.01 0.84 -0.07 -0.00 0.00 0.00 177.93 178.26 2yre h LEU 80 N -0.01 0.25 -0.29 0.26 3.38 0.15 0.71 115.31 119.76 2yre h LEU 80 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2yre h LEU 80 Cb 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2yre h LEU 80 CO -0.01 -0.06 0.19 -0.33 0.09 0.00 0.00 178.44 178.32 2yre h GLU 81 N 0.16 0.37 -0.47 1.13 4.39 -1.08 -2.84 114.58 116.25 2yre h GLU 81 Ca 0.73 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 60.21 2yre h GLU 81 Cb 2.30 -0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 30.75 2yre h GLU 81 CO -0.29 0.25 0.09 0.00 -1.16 0.00 0.00 179.01 177.89 2yre n MET 82 N -4.89 2.35 -3.10 2.33 0.00 0.14 -4.94 117.12 109.02 2yre n MET 82 Ca -0.01 -3.07 -0.39 0.00 0.00 0.00 0.00 57.70 54.22 2yre n MET 82 Cb 0.03 -1.92 -0.05 0.00 0.00 0.00 0.00 33.22 31.28 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 6.22 0.52 -1.28 0.00 0.13 -1.88 -3.10 132.00 132.61 2yre h PRO 84 Ca -0.43 -0.27 0.37 0.00 -0.87 0.00 0.00 66.00 64.80 2yre h PRO 84 Cb 1.20 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2yre h PRO 84 CO 0.73 0.86 0.91 0.00 -0.23 0.00 0.00 178.00 180.26 2yre h ALA 85 N 0.66 3.14 -0.15 -0.56 0.00 -1.94 0.18 119.26 120.58 2yre h ALA 85 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2yre h ALA 85 Cb 0.76 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2yre h ALA 85 CO 0.05 -1.52 0.13 0.45 0.00 0.00 0.00 179.25 178.36 2yre n SER 86 N -4.20 5.01 -3.69 0.00 2.88 -1.17 -4.80 113.62 107.66 2yre n SER 86 Ca 0.28 -2.52 -0.30 0.00 -1.33 0.00 0.00 58.87 55.00 2yre n SER 86 Cb 1.32 -0.96 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 2yre n SER 86 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yre n VAL 87 N 0.89 -0.06 -2.65 2.46 0.24 0.63 -4.87 118.33 114.97 2yre n VAL 87 Ca 0.10 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2yre n VAL 87 Cb 0.57 -0.39 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 2yre n VAL 87 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2yre s SER 88 N -2.72 5.08 0.00 -1.34 1.04 -1.21 -5.10 113.70 109.45 2yre s SER 88 Ca 0.55 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2yre s SER 88 Cb -0.32 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2yre s SER 88 CO 0.73 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2yre n GLY 89 N -2.43 5.47 3.74 7.32 0.00 -1.26 -4.85 105.19 113.18 2yre n GLY 89 Ca 0.10 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 1.92 1.75 -0.19 1.61 0.04 -1.26 -4.96 135.00 133.91 2yre s PRO 90 Ca 0.00 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 2yre s PRO 90 Cb 0.00 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 2yre s PRO 90 CO 0.00 -1.95 -0.02 0.45 0.04 0.00 0.00 177.00 175.52 2yre s SER 91 N -3.41 4.71 -0.31 6.66 0.15 -1.26 -4.99 113.70 115.24 2yre s SER 91 Ca 0.62 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.04 2yre s SER 91 Cb -0.18 -1.80 0.18 0.00 -1.71 0.00 0.00 66.02 62.52 2yre s SER 91 CO 0.56 0.07 2.12 -1.20 1.20 0.00 0.00 173.24 176.00 2yre n SER 92 N 4.19 6.41 0.00 5.45 7.64 -1.26 -5.25 113.62 130.80 2yre n SER 92 Ca -0.17 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.66 2yre n SER 92 Cb 0.52 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64