#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 1.49 -1.40 1.61 1.04 -1.26 -4.85 113.70 110.32 2yre s SER -5 Ca 0.00 -1.56 -0.14 0.00 0.48 0.00 0.00 55.95 54.73 2yre s SER -5 Cb 0.00 0.40 0.14 0.00 0.10 0.00 0.00 66.02 66.66 2yre s SER -5 CO 0.00 -0.89 0.35 -1.54 0.98 0.00 0.00 173.24 172.14 2yre n SER -4 N -0.94 -0.89 -4.10 7.02 3.41 -1.26 -4.88 113.62 111.99 2yre n SER -4 Ca 0.01 -0.98 -0.28 0.00 -0.26 0.00 0.00 58.87 57.37 2yre n SER -4 Cb 0.65 -1.24 -0.17 0.00 -0.26 0.00 0.00 64.21 63.19 2yre n SER -4 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yre s GLY -3 N -3.07 1.02 0.03 5.00 0.00 -1.26 -5.13 107.32 103.91 2yre s GLY -3 Ca 0.49 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 44.55 2yre s GLY -3 CO 0.79 -0.03 -0.03 -0.45 0.00 0.00 0.00 173.10 173.38 2yre s SER -2 N 0.59 0.36 0.10 1.64 0.15 -1.26 -5.17 113.70 110.11 2yre s SER -2 Ca -0.15 -0.69 -0.06 0.00 0.70 0.00 0.00 55.95 55.74 2yre s SER -2 Cb -0.16 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2yre s SER -2 CO 0.05 -0.41 0.15 -0.44 1.20 0.00 0.00 173.24 173.79 2yre s SER -1 N -2.02 0.20 -0.05 5.45 0.01 -1.26 -5.18 113.70 110.85 2yre s SER -1 Ca -0.07 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.06 2yre s SER -1 Cb -0.03 0.33 0.11 0.00 0.21 0.00 0.00 66.02 66.64 2yre s SER -1 CO -0.04 -0.74 1.07 -0.83 0.41 0.00 0.00 173.24 173.11 2yre s GLY 0 N -2.92 -0.36 0.22 3.44 0.00 -1.26 -5.19 107.32 101.25 2yre s GLY 0 Ca 0.10 1.03 -0.13 0.00 0.00 0.00 0.00 44.72 45.72 2yre s GLY 0 CO -0.07 0.32 0.46 1.06 0.00 0.00 0.00 173.10 174.87 2yre s MET 1 N -2.80 1.45 0.25 2.90 1.00 -1.26 -5.19 119.30 115.64 2yre s MET 1 Ca 0.09 -1.14 0.01 0.00 0.00 0.00 0.00 55.69 54.65 2yre s MET 1 Cb -0.00 0.47 -0.04 0.00 0.00 0.00 0.00 34.83 35.26 2yre s MET 1 CO -0.05 -0.60 0.16 -1.21 0.00 0.00 0.00 175.02 173.32 2yre s GLU 2 N -3.97 1.39 -0.25 2.03 2.02 -1.26 -5.17 118.70 113.48 2yre s GLU 2 Ca 0.18 -1.76 -0.28 0.00 0.02 0.00 0.00 54.97 53.13 2yre s GLU 2 Cb -0.00 0.17 0.16 0.00 0.10 0.00 0.00 34.13 34.55 2yre s GLU 2 CO 0.05 -0.44 1.21 -2.00 0.02 0.00 0.00 175.26 174.10 2yre s GLU 3 N -3.96 0.30 0.45 1.61 2.56 -1.26 -5.17 118.70 113.23 2yre s GLU 3 Ca 0.39 0.18 -0.13 0.00 0.00 0.00 0.00 54.97 55.41 2yre s GLU 3 Cb 0.06 0.14 -0.07 0.00 2.00 0.00 0.00 34.13 36.26 2yre s GLU 3 CO 0.16 -0.07 0.86 -2.00 -0.56 0.00 0.00 175.26 173.65 2yre s GLU 4 N -0.54 3.85 0.47 4.30 2.12 -1.26 -5.09 118.70 122.55 2yre s GLU 4 Ca 0.04 0.68 0.08 0.00 0.36 0.00 0.00 54.97 56.13 2yre s GLU 4 Cb -0.03 -2.28 0.01 0.00 0.26 0.00 0.00 34.13 32.09 2yre s GLU 4 CO -0.07 -0.13 0.47 -0.51 -0.54 0.00 0.00 175.26 174.48 2yre s LEU 5 N -3.93 3.24 0.75 2.70 1.43 -1.26 -5.12 118.68 116.50 2yre s LEU 5 Ca 0.54 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 2yre s LEU 5 Cb -0.10 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2yre s LEU 5 CO 0.31 -0.86 1.08 0.00 0.23 0.00 0.00 176.35 177.11 2yre s GLN 6 N -4.27 2.44 -0.11 1.70 -2.07 -1.26 -5.01 119.66 111.08 2yre s GLN 6 Ca 0.48 0.82 0.03 0.00 -1.82 0.00 0.00 55.36 54.87 2yre s GLN 6 Cb -0.04 -1.94 -0.00 0.00 -1.09 0.00 0.00 33.01 29.93 2yre s GLN 6 CO 0.29 -1.42 -0.21 -1.01 -1.32 0.00 0.00 175.29 171.62 2yre s HIS 7 N -3.08 2.64 0.41 9.60 3.76 -1.26 -5.00 115.29 122.35 2yre s HIS 7 Ca 0.60 -1.00 0.22 0.00 -0.15 0.00 0.00 55.06 54.72 2yre s HIS 7 Cb -0.15 -1.76 1.21 0.00 1.11 0.00 0.00 32.58 32.99 2yre s HIS 7 CO 0.55 -0.40 1.72 0.77 -0.85 0.00 0.00 174.74 176.52 2yre h SER 8 N 6.82 0.38 0.00 1.40 0.02 -1.47 0.42 113.55 121.13 2yre h SER 8 Ca -0.23 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2yre h SER 8 Cb 1.23 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2yre h SER 8 CO 0.50 -0.02 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.43 2yre h HIS 9 N 0.29 0.00 -0.95 3.45 -0.00 -1.19 -3.36 115.15 113.39 2yre h HIS 9 Ca 0.68 0.00 0.23 0.00 -0.00 0.00 0.00 60.37 61.27 2yre h HIS 9 Cb 1.86 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 29.10 2yre h HIS 9 CO -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 177.93 177.85 2yre h VAL 11 N 0.02 0.11 -0.87 0.00 -1.51 -0.34 0.77 116.25 114.44 2yre h VAL 11 Ca 0.52 -0.04 -0.61 0.00 -1.23 0.00 0.00 66.70 65.34 2yre h VAL 11 Cb 0.96 -0.01 -0.36 0.00 -2.13 0.00 0.00 31.29 29.76 2yre h VAL 11 CO -0.91 0.02 0.04 -0.46 -1.23 0.00 0.00 177.57 175.03 2yre n ASN 12 N -5.23 6.27 -3.98 4.19 0.23 0.19 -4.96 115.26 111.98 2yre n ASN 12 Ca 0.33 -3.77 -0.24 0.00 -0.53 0.00 0.00 54.58 50.37 2yre n ASN 12 Cb 1.08 -0.66 -0.17 0.00 -2.08 0.00 0.00 39.78 37.95 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yre n VAL 14 N 4.00 0.00 -1.64 0.00 0.24 -1.26 -4.92 118.33 114.75 2yre n VAL 14 Ca -0.22 0.00 -0.58 0.00 -2.04 0.00 0.00 64.34 61.50 2yre n VAL 14 Cb 0.51 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 32.07 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 -2.54 1.42 0.15 -1.34 2.88 -1.26 -4.83 113.62 108.09 2yre n SER 15 Ca 0.00 1.13 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 2yre n SER 15 Cb 0.42 -1.06 0.21 0.00 -0.75 0.00 0.00 64.21 63.03 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 5.06 0.00 -1.33 -1.46 -0.00 -1.97 -3.09 114.38 111.59 2yre h ARG 16 Ca -0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.20 2yre h ARG 16 Cb 1.36 0.00 -0.14 0.00 -0.00 0.00 0.00 29.97 31.18 2yre h ARG 16 CO 0.84 0.56 0.39 0.54 -0.00 0.00 0.00 179.97 182.30 2yre n ARG 17 N -3.69 1.75 -2.34 0.08 5.12 -1.26 -4.55 116.66 111.76 2yre n ARG 17 Ca -0.01 -1.56 -0.41 0.00 -1.93 0.00 0.00 57.85 53.94 2yre n ARG 17 Cb 0.60 -1.61 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 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 2.42 1.68 -3.89 0.00 2.81 -1.26 -4.94 117.12 113.95 2yre n MET 19 Ca 0.04 -3.80 -0.35 0.00 -1.81 0.00 0.00 57.70 51.78 2yre n MET 19 Cb 0.44 -1.82 -0.08 0.00 -0.71 0.00 0.00 33.22 31.05 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 -3.17 5.20 -0.22 2.03 2.01 -1.26 -5.03 115.64 115.20 2yre s THR 20 Ca 0.41 0.11 -0.38 0.00 0.31 0.00 0.00 61.69 62.14 2yre s THR 20 Cb 0.35 -3.32 -0.14 0.00 0.01 0.00 0.00 72.50 69.39 2yre s THR 20 CO -0.09 0.50 1.81 -1.14 -0.69 0.00 0.00 174.62 175.01 2yre n ARG 21 N 3.02 1.53 -2.16 4.92 3.00 -1.26 -4.81 116.66 120.89 2yre n ARG 21 Ca -0.17 0.56 -0.42 0.00 -0.00 0.00 0.00 57.85 57.81 2yre n ARG 21 Cb 0.53 -2.31 -0.03 0.00 0.00 0.00 0.00 32.46 30.66 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yre s PRO 22 N 3.81 4.24 0.21 -0.14 0.04 -1.26 -4.60 135.00 137.30 2yre s PRO 22 Ca 0.97 2.02 0.11 0.00 0.04 0.00 0.00 61.00 64.14 2yre s PRO 22 Cb -0.93 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 29.85 2yre s PRO 22 CO 0.61 -0.68 -0.23 -1.21 0.04 0.00 0.00 177.00 175.53 2yre s GLU 23 N 3.01 1.54 -1.15 4.56 0.41 0.28 -4.86 118.70 122.48 2yre s GLU 23 Ca 0.66 -1.57 -0.23 0.00 -0.41 0.00 0.00 54.97 53.42 2yre s GLU 23 Cb -0.31 -1.81 -0.10 0.00 -1.78 0.00 0.00 34.13 30.13 2yre s GLU 23 CO 0.26 0.38 1.93 -0.35 -0.49 0.00 0.00 175.26 176.99 2yre n PRO 24 N 0.08 1.59 0.00 0.39 -0.04 -1.26 -3.05 135.00 132.71 2yre n PRO 24 Ca -0.11 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 2yre n PRO 24 Cb 0.57 -3.67 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 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 5.68 3.39 0.00 0.55 0.00 -1.26 -4.99 105.19 108.57 2yre n GLY 25 Ca 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2yre n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yre n ILE 26 N 0.00 0.00 -4.49 -0.61 -0.00 -1.17 -3.12 119.36 109.97 2yre n ILE 26 Ca 0.00 0.25 -0.24 0.00 -0.00 0.00 0.00 62.75 62.76 2yre n ILE 26 Cb 0.00 -0.75 -0.10 0.00 -0.00 0.00 0.00 39.64 38.79 2yre n ILE 26 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 2yre s SER 27 N -2.00 3.28 0.06 4.38 0.01 -1.19 -0.73 113.70 117.51 2yre s SER 27 Ca 0.00 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 56.08 2yre s SER 27 Cb 0.00 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2yre s SER 27 CO 0.00 -0.26 -0.05 0.00 0.41 0.00 0.00 173.24 173.33 2yre n ASP 29 N 0.50 0.57 -4.86 0.00 9.92 -1.26 -4.75 116.55 116.66 2yre n ASP 29 Ca -0.16 0.84 -0.36 0.00 -0.53 0.00 0.00 54.79 54.58 2yre n ASP 29 Cb 0.59 -1.34 -0.06 0.00 -0.64 0.00 0.00 41.12 39.67 2yre n ASP 29 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yre s LEU 30 N -1.20 4.40 -0.01 0.64 1.43 -1.26 -2.80 118.68 119.88 2yre s LEU 30 Ca 0.72 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2yre s LEU 30 Cb -0.45 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 2yre s LEU 30 CO 0.51 0.26 -0.05 0.27 0.23 0.00 0.00 176.35 177.57 2yre s ILE 31 N -1.24 0.43 0.27 -0.59 -5.25 -0.44 -4.85 121.20 109.54 2yre s ILE 31 Ca 0.27 -0.21 -0.29 0.00 -0.99 0.00 0.00 60.65 59.43 2yre s ILE 31 Cb -0.14 -0.38 -0.09 0.00 2.95 0.00 0.00 42.46 44.80 2yre s ILE 31 CO 0.15 0.13 1.00 -0.83 -1.79 0.00 0.00 174.94 173.60 2yre s GLY 32 N -0.01 3.05 0.08 6.27 0.00 -1.26 -3.10 107.32 112.35 2yre s GLY 32 Ca 0.01 0.71 -0.35 0.00 0.00 0.00 0.00 44.72 45.08 2yre s GLY 32 CO -0.00 1.27 0.86 0.00 0.00 0.00 0.00 173.10 175.22 2yre n PRO 34 N 1.31 0.45 -0.21 0.00 -0.04 -1.26 -1.98 135.00 133.27 2yre n PRO 34 Ca 0.19 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2yre n PRO 34 Cb 0.15 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.04 2.94 -3.47 1.53 4.77 -1.26 -4.97 117.00 115.51 2yre n LEU 35 Ca 0.11 -2.87 -0.23 0.00 -0.03 0.00 0.00 56.01 52.99 2yre n LEU 35 Cb 0.06 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2yre n LEU 35 CO 0.09 0.68 -0.06 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -0.84 -0.50 0.27 4.08 0.24 -0.84 -4.77 118.33 115.97 2yre n VAL 36 Ca 0.16 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.60 2yre n VAL 36 Cb 0.68 -1.06 0.77 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.68 0.65 3.56 0.00 0.00 -1.26 -5.08 105.19 102.38 2yre n GLY 38 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.61 -1.71 -0.30 4.61 0.00 -1.26 -5.08 121.76 116.41 2yre s ALA 39 Ca 0.00 2.24 -0.10 0.00 0.00 0.00 0.00 51.96 54.10 2yre s ALA 39 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2yre s ALA 39 CO 0.00 -0.37 0.16 0.08 0.00 0.00 0.00 175.76 175.63 2yre s VAL 40 N 1.62 4.79 0.25 0.00 1.01 -1.26 -2.49 120.40 124.32 2yre s VAL 40 Ca -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2yre s VAL 40 Cb -0.06 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2yre s VAL 40 CO -0.18 0.15 0.08 0.72 0.00 0.00 0.00 175.10 175.87 2yre s PHE 41 N 1.66 1.52 0.03 5.22 -0.71 -1.18 -4.18 117.98 120.34 2yre s PHE 41 Ca 0.06 -1.15 -0.30 0.00 -1.04 0.00 0.00 56.93 54.49 2yre s PHE 41 Cb -0.16 -0.89 -0.06 0.00 -1.21 0.00 0.00 43.02 40.69 2yre s PHE 41 CO 0.07 -0.30 1.40 -1.01 -1.34 0.00 0.00 175.22 174.03 2yre s HIS 42 N -3.72 2.94 0.26 3.49 3.76 -1.26 -1.33 115.29 119.43 2yre s HIS 42 Ca 0.36 0.85 0.14 0.00 -0.15 0.00 0.00 55.06 56.26 2yre s HIS 42 Cb 0.08 -3.66 0.93 0.00 1.11 0.00 0.00 32.58 31.04 2yre s HIS 42 CO 0.13 -2.42 1.15 -1.13 -0.85 0.00 0.00 174.74 171.62 2yre n SER 43 N 5.05 0.21 -0.07 1.40 3.41 -1.12 0.24 113.62 122.74 2yre n SER 43 Ca 0.13 1.21 -0.12 0.00 -0.26 0.00 0.00 58.87 59.84 2yre n SER 43 Cb 0.43 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.13 0.29 -0.86 0.00 1.79 0.27 -3.10 116.57 115.09 2yre h LYS 45 Ca 0.06 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.61 2yre h LYS 45 Cb 0.45 -0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 30.91 2yre h LYS 45 CO 0.02 0.31 -0.37 0.00 -1.08 0.00 0.00 179.45 178.32 2yre n ALA 46 N -2.49 -0.20 -0.32 3.86 0.00 -0.09 0.12 120.51 121.37 2yre n ALA 46 Ca -0.00 0.83 0.18 0.00 0.00 0.00 0.00 53.44 54.45 2yre n ALA 46 Cb 0.18 -0.33 0.35 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.11 0.03 0.00 3.32 -1.69 0.13 116.42 118.10 2yre h ASP 47 Ca 0.26 0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 2yre h ASP 47 Cb 0.48 0.35 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2yre h ASP 47 CO -0.85 -0.29 -0.23 -0.33 -1.72 0.00 0.00 179.24 175.83 2yre h GLU 48 N 0.09 0.09 -0.53 3.56 5.08 0.66 -3.36 114.58 120.17 2yre h GLU 48 Ca 0.63 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.94 2yre h GLU 48 Cb 1.39 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.59 2yre h GLU 48 CO -0.78 1.04 -0.37 1.25 -1.00 0.00 0.00 179.01 179.15 2yre h HIS 49 N -0.78 -1.04 -0.98 4.33 2.76 0.12 0.10 115.15 119.66 2yre h HIS 49 Ca -0.04 0.07 0.35 0.00 -2.20 0.00 0.00 60.37 58.56 2yre h HIS 49 Cb 1.15 0.53 -0.18 0.00 1.55 0.00 0.00 27.41 30.46 2yre h HIS 49 CO 0.25 -0.40 0.32 0.54 -1.30 0.00 0.00 177.93 177.34 2yre n ARG 50 N -5.42 -0.07 -0.32 5.26 1.74 0.29 0.17 116.66 118.31 2yre n ARG 50 Ca 0.02 1.40 0.05 0.00 -0.77 0.00 0.00 57.85 58.55 2yre n ARG 50 Cb 0.35 -2.39 0.20 0.00 -1.02 0.00 0.00 32.46 29.60 2yre n ARG 50 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2yre h LEU 51 N 0.00 0.75 0.05 0.55 3.38 -0.94 -2.89 115.31 116.22 2yre h LEU 51 Ca 0.74 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.62 2yre h LEU 51 Cb 1.80 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2yre h LEU 51 CO -0.82 0.41 -0.67 -0.07 0.09 0.00 0.00 178.44 177.38 2yre h LEU 52 N 0.85 0.18 -6.24 1.67 3.38 0.16 -3.47 115.31 111.84 2yre h LEU 52 Ca 0.44 -0.88 -0.55 0.00 0.09 0.00 0.00 57.88 56.99 2yre h LEU 52 Cb 0.44 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.17 2yre h LEU 52 CO -0.27 1.29 0.05 0.00 0.09 0.00 0.00 178.44 179.60 2yre h PRO 54 N 2.09 0.00 -0.04 0.00 0.13 -1.91 -2.95 132.00 129.32 2yre h PRO 54 Ca -0.35 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 2yre h PRO 54 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2yre h PRO 54 CO 0.45 0.27 -0.77 0.74 -0.23 0.00 0.00 178.00 178.46 2yre h PHE 55 N 0.00 0.40 -1.12 1.56 -1.00 -1.92 1.07 116.94 115.94 2yre h PHE 55 Ca -0.00 -0.19 -0.79 0.00 2.81 0.00 0.00 57.97 59.79 2yre h PHE 55 Cb 0.69 -0.06 0.04 0.00 3.61 0.00 0.00 35.95 40.23 2yre h PHE 55 CO 0.00 0.95 0.29 -1.91 -1.61 0.00 0.00 178.31 176.03 2yre n GLU 56 N -3.78 0.21 -1.68 1.51 0.00 -1.12 -4.18 120.64 111.62 2yre n GLU 56 Ca -0.04 0.08 -0.44 0.00 0.00 0.00 0.00 57.16 56.76 2yre n GLU 56 Cb 0.73 -1.61 -0.04 0.00 0.00 0.00 0.00 31.44 30.53 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2yre n ARG 57 N 2.39 2.60 -3.98 5.31 0.63 -1.26 -3.57 116.66 118.78 2yre n ARG 57 Ca 0.23 0.95 -0.10 0.00 -0.92 0.00 0.00 57.85 58.01 2yre n ARG 57 Cb 0.07 -2.84 -0.11 0.00 0.45 0.00 0.00 32.46 30.02 2yre n ARG 57 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2yre s VAL 58 N 3.44 0.15 0.49 5.15 -7.23 0.11 -4.93 120.40 117.57 2yre s VAL 58 Ca 0.87 -0.81 -0.22 0.00 -1.81 0.00 0.00 61.98 60.01 2yre s VAL 58 Cb -0.54 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.06 2yre s VAL 58 CO 0.43 -0.42 1.15 -2.16 -0.31 0.00 0.00 175.10 173.79 2yre s PRO 59 N -1.28 3.61 0.09 4.82 0.04 -1.26 -1.04 135.00 139.97 2yre s PRO 59 Ca -0.13 1.71 -0.36 0.00 0.04 0.00 0.00 61.00 62.26 2yre s PRO 59 Cb -0.09 -2.26 -0.17 0.00 0.04 0.00 0.00 34.50 32.02 2yre s PRO 59 CO -0.01 -0.66 1.22 0.00 0.04 0.00 0.00 177.00 177.59 2yre n LEU 61 N 2.18 -0.21 -2.17 0.00 4.77 -1.26 0.88 117.00 121.18 2yre n LEU 61 Ca 0.18 1.34 -0.17 0.00 -0.03 0.00 0.00 56.01 57.33 2yre n LEU 61 Cb 0.18 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 2yre n LEU 61 CO 0.61 -1.31 1.58 0.59 -1.33 0.00 0.00 177.39 177.54 2yre n ASN 62 N -5.22 5.72 -0.10 -1.43 3.02 -1.26 -4.50 115.26 111.50 2yre n ASN 62 Ca 0.15 -2.76 -0.12 0.00 -0.03 0.00 0.00 54.58 51.82 2yre n ASN 62 Cb 0.47 -1.34 -0.04 0.00 -0.61 0.00 0.00 39.78 38.26 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 2.93 0.56 -1.35 6.41 4.64 0.19 -2.94 113.55 123.99 2yre h SER 63 Ca 0.26 -0.38 0.40 0.00 -0.47 0.00 0.00 61.79 61.60 2yre h SER 63 Cb 1.20 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.04 2yre h SER 63 CO 0.48 0.82 0.92 -2.24 -0.87 0.00 0.00 176.83 175.93 2yre h ASP 64 N 0.30 0.18 -0.55 4.97 2.03 -1.84 0.87 116.42 122.38 2yre h ASP 64 Ca 0.07 0.07 -0.11 0.00 -0.73 0.00 0.00 57.03 56.33 2yre h ASP 64 Cb 0.58 0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 2yre h ASP 64 CO 0.03 -0.05 -0.07 -0.26 -1.03 0.00 0.00 179.24 177.87 2yre h PHE 65 N 0.11 1.14 0.00 4.15 -1.00 -1.89 -3.47 116.94 115.99 2yre h PHE 65 Ca 0.73 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 61.29 2yre h PHE 65 Cb 2.49 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.76 2yre h PHE 65 CO -0.00 1.04 0.00 0.41 -1.61 0.00 0.00 178.31 178.14 2yre n GLY 66 N -0.34 1.16 3.57 -1.45 0.00 0.30 -5.10 105.19 103.33 2yre n GLY 66 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 7.13 0.46 -2.47 0.00 -0.04 -1.26 -4.56 135.00 134.26 2yre n PRO 68 Ca 0.07 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2yre n PRO 68 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2yre n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yre s PHE 69 N -2.06 3.51 -0.04 0.54 0.40 -1.26 -5.01 117.98 114.06 2yre s PHE 69 Ca 0.23 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 2yre s PHE 69 Cb 0.11 -3.34 0.03 0.00 0.51 0.00 0.00 43.02 40.32 2yre s PHE 69 CO 0.19 -0.93 -0.01 0.95 0.70 0.00 0.00 175.22 176.12 2yre s THR 70 N 0.51 0.32 0.30 0.64 -4.23 -1.26 -1.90 115.64 110.02 2yre s THR 70 Ca 0.54 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.96 2yre s THR 70 Cb -0.29 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.20 2yre s THR 70 CO 0.32 0.19 0.73 1.15 -0.54 0.00 0.00 174.62 176.47 2yre n MET 71 N 4.36 0.89 -0.70 3.99 0.00 -0.21 -4.90 117.12 120.55 2yre n MET 71 Ca -0.21 -1.77 -0.31 0.00 0.00 0.00 0.00 57.70 55.40 2yre n MET 71 Cb 0.50 2.24 0.16 0.00 0.00 0.00 0.00 33.22 36.13 2yre n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre n ALA 72 N -0.95 -1.45 0.27 3.17 0.00 -1.26 0.09 120.51 120.38 2yre n ALA 72 Ca -0.14 -0.61 0.15 0.00 0.00 0.00 0.00 53.44 52.84 2yre n ALA 72 Cb 0.51 -2.07 0.67 0.00 0.00 0.00 0.00 19.45 18.56 2yre n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yre h ARG 73 N -1.85 0.00 0.00 0.00 3.08 0.12 -2.09 114.38 113.64 2yre h ARG 73 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2yre h ARG 73 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2yre h ARG 73 CO 0.39 0.07 -1.26 0.27 -1.07 0.00 0.00 179.97 178.38 2yre n ASN 74 N -3.23 0.53 0.07 7.04 6.94 -1.06 -4.02 115.26 121.52 2yre n ASN 74 Ca -0.00 -0.07 0.12 0.00 -0.02 0.00 0.00 54.58 54.61 2yre n ASN 74 Cb 0.31 1.02 0.09 0.00 -2.36 0.00 0.00 39.78 38.84 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2yre n LYS 75 N -2.18 0.39 0.09 -3.83 4.76 -0.95 -3.98 118.16 112.46 2yre n LYS 75 Ca 0.00 0.08 0.18 0.00 -2.87 0.00 0.00 58.31 55.70 2yre n LYS 75 Cb 0.49 -1.71 0.73 0.00 -1.84 0.00 0.00 35.03 32.70 2yre n LYS 75 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2yre h VAL 76 N 0.00 0.64 0.67 -0.18 -1.51 -1.53 -2.40 116.25 111.94 2yre h VAL 76 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2yre h VAL 76 Cb 0.82 0.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2yre h VAL 76 CO 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 177.57 176.02 2yre h ALA 77 N 1.74 -0.90 -0.42 5.19 0.00 -1.83 0.69 119.26 123.73 2yre h ALA 77 Ca 0.18 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2yre h ALA 77 Cb 0.79 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2yre h ALA 77 CO -0.00 -0.91 0.50 1.49 0.00 0.00 0.00 179.25 180.33 2yre h GLU 78 N -1.08 0.00 0.01 0.00 4.81 -1.69 0.25 114.58 116.88 2yre h GLU 78 Ca -0.09 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.82 2yre h GLU 78 Cb 0.72 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2yre h GLU 78 CO 0.15 0.00 -1.92 1.58 -0.73 0.00 0.00 179.01 178.09 2yre n HIS 79 N -3.57 0.75 -0.37 0.92 -0.00 -1.02 -4.21 115.22 107.72 2yre n HIS 79 Ca 0.08 0.26 -0.01 0.00 0.46 0.00 0.00 57.72 58.51 2yre n HIS 79 Cb 0.68 -1.13 0.14 0.00 -0.12 0.00 0.00 29.99 29.55 2yre n HIS 79 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2yre h LEU 80 N 0.01 1.11 -1.95 0.27 3.38 0.39 1.44 115.31 119.95 2yre h LEU 80 Ca -0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2yre h LEU 80 Cb 2.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 2yre h LEU 80 CO 0.06 0.78 -0.11 1.05 0.09 0.00 0.00 178.44 180.31 2yre h GLU 81 N 1.30 0.00 -0.00 1.13 4.11 -1.59 -2.44 114.58 117.08 2yre h GLU 81 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2yre h GLU 81 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2yre h GLU 81 CO -0.10 0.11 0.00 0.00 0.07 0.00 0.00 179.01 179.08 2yre n MET 82 N -3.64 1.98 -3.00 1.06 0.00 -0.31 -5.03 117.12 108.18 2yre n MET 82 Ca -0.02 -2.15 -0.39 0.00 0.00 0.00 0.00 57.70 55.14 2yre n MET 82 Cb 0.23 -1.30 -0.06 0.00 0.00 0.00 0.00 33.22 32.08 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 4.43 -0.03 -0.23 0.00 0.13 -1.88 -3.06 132.00 131.36 2yre h PRO 84 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2yre h PRO 84 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yre h PRO 84 CO 0.66 0.45 0.40 0.00 -0.23 0.00 0.00 178.00 179.28 2yre h ALA 85 N 0.44 1.77 -0.38 -0.56 0.00 -1.94 -1.14 119.26 117.44 2yre h ALA 85 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2yre h ALA 85 Cb 0.49 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2yre h ALA 85 CO 0.01 -0.52 0.33 0.43 0.00 0.00 0.00 179.25 179.50 2yre n SER 86 N -3.34 6.25 -0.25 0.00 7.64 -1.16 -4.66 113.62 118.10 2yre n SER 86 Ca 0.03 -2.94 0.21 0.00 1.01 0.00 0.00 58.87 57.18 2yre n SER 86 Cb 0.52 -1.08 0.39 0.00 -1.01 0.00 0.00 64.21 63.03 2yre n SER 86 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yre n VAL 87 N 0.60 -0.32 -4.45 0.44 0.24 -0.43 -4.70 118.33 109.70 2yre n VAL 87 Ca 0.25 1.61 -0.39 0.00 -2.04 0.00 0.00 64.34 63.77 2yre n VAL 87 Cb 0.56 -2.53 -0.09 0.00 -1.47 0.00 0.00 33.84 30.32 2yre n VAL 87 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2yre n SER 88 N -4.85 -0.92 -4.82 -1.34 3.41 -1.26 -4.88 113.62 98.96 2yre n SER 88 Ca 0.26 -1.25 -0.35 0.00 -0.26 0.00 0.00 58.87 57.27 2yre n SER 88 Cb 0.88 -1.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.18 2yre n SER 88 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yre s GLY 89 N -3.60 2.54 -0.81 5.00 0.00 -1.26 -4.98 107.32 104.21 2yre s GLY 89 Ca 0.56 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 2yre s GLY 89 CO 1.01 0.45 1.92 2.56 0.00 0.00 0.00 173.10 179.04 2yre s PRO 90 N -2.22 2.58 -0.08 2.90 0.04 -1.26 -4.82 135.00 132.14 2yre s PRO 90 Ca 0.46 0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.41 2yre s PRO 90 Cb -0.15 -4.84 -0.07 0.00 0.04 0.00 0.00 34.50 29.48 2yre s PRO 90 CO 0.20 -3.16 0.35 1.03 0.04 0.00 0.00 177.00 175.45 2yre h SER 91 N 12.52 -0.14 -0.70 6.66 0.87 -2.02 -3.33 113.55 127.41 2yre h SER 91 Ca -0.02 -0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2yre h SER 91 Cb 1.06 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.98 2yre h SER 91 CO 1.21 0.41 0.33 0.77 -0.53 0.00 0.00 176.83 179.02 2yre h SER 92 N -1.02 0.42 0.00 6.23 4.64 -2.05 -3.57 113.55 118.20 2yre h SER 92 Ca -0.02 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2yre h SER 92 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2yre h SER 92 CO 0.03 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.83