#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 -0.14 0.31 1.61 0.01 -1.26 -5.19 113.70 109.05 2yre s SER -5 Ca 0.00 -0.82 -0.15 0.00 1.31 0.00 0.00 55.95 56.30 2yre s SER -5 Cb 0.00 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.87 2yre s SER -5 CO 0.00 -1.17 0.64 -0.44 0.41 0.00 0.00 173.24 172.68 2yre s SER -4 N -2.98 0.04 0.00 2.44 0.01 -1.26 -5.19 113.70 106.75 2yre s SER -4 Ca 0.19 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2yre s SER -4 Cb -0.02 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2yre s SER -4 CO 0.07 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.94 2yre n GLY -3 N -0.48 5.31 3.60 3.44 0.00 -1.26 -5.18 105.19 110.63 2yre n GLY -3 Ca -0.04 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 2yre n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yre s SER -2 N -0.33 -0.30 -0.29 1.61 0.01 -1.26 -5.18 113.70 107.97 2yre s SER -2 Ca 0.00 -0.16 -0.21 0.00 1.31 0.00 0.00 55.95 56.89 2yre s SER -2 Cb 0.00 0.44 0.14 0.00 0.21 0.00 0.00 66.02 66.80 2yre s SER -2 CO 0.00 -0.75 1.03 -0.55 0.41 0.00 0.00 173.24 173.38 2yre s SER -1 N -2.68 -0.45 -0.04 2.44 0.15 -1.26 -5.18 113.70 106.69 2yre s SER -1 Ca 0.08 0.80 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2yre s SER -1 Cb -0.01 0.97 0.02 0.00 -1.71 0.00 0.00 66.02 65.28 2yre s SER -1 CO -0.05 -0.13 0.27 -0.83 1.20 0.00 0.00 173.24 173.70 2yre s GLY 0 N 0.68 -0.13 -0.09 9.45 0.00 -1.26 -5.15 107.32 110.82 2yre s GLY 0 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.09 2yre s GLY 0 CO -0.10 0.19 -0.16 1.06 0.00 0.00 0.00 173.10 174.09 2yre s MET 1 N -0.96 2.19 0.04 2.90 1.00 -1.26 -5.13 119.30 118.07 2yre s MET 1 Ca -0.10 -0.57 0.06 0.00 0.00 0.00 0.00 55.69 55.08 2yre s MET 1 Cb -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 34.83 32.98 2yre s MET 1 CO 0.03 0.03 -0.18 -1.21 0.00 0.00 0.00 175.02 173.69 2yre s GLU 2 N 0.69 1.24 -0.24 2.03 0.41 -1.26 -5.14 118.70 116.44 2yre s GLU 2 Ca -0.13 -0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 53.27 2yre s GLU 2 Cb -0.16 -1.32 0.16 0.00 -1.78 0.00 0.00 34.13 31.03 2yre s GLU 2 CO 0.03 0.33 1.20 -2.00 -0.49 0.00 0.00 175.26 174.33 2yre s GLU 3 N -1.15 0.31 -0.01 1.61 2.12 -1.26 -5.17 118.70 115.15 2yre s GLU 3 Ca 0.06 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.52 2yre s GLU 3 Cb -0.08 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 2yre s GLU 3 CO 0.02 -0.09 -0.08 -2.00 -0.54 0.00 0.00 175.26 172.57 2yre s GLU 4 N -0.87 0.63 0.55 4.30 2.12 -1.26 -5.16 118.70 119.01 2yre s GLU 4 Ca 0.04 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2yre s GLU 4 Cb -0.01 -0.61 0.03 0.00 0.26 0.00 0.00 34.13 33.79 2yre s GLU 4 CO -0.05 0.17 0.23 -0.51 -0.54 0.00 0.00 175.26 174.57 2yre s LEU 5 N -0.19 2.43 1.32 2.70 1.43 -1.26 -5.13 118.68 119.97 2yre s LEU 5 Ca 0.03 -1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 51.47 2yre s LEU 5 Cb -0.03 -0.92 0.33 0.00 0.03 0.00 0.00 46.19 45.60 2yre s LEU 5 CO -0.00 -1.07 0.93 0.00 0.23 0.00 0.00 176.35 176.44 2yre n GLN 6 N -1.60 -3.57 -4.46 1.70 10.64 -1.26 -5.02 117.38 113.81 2yre n GLN 6 Ca -0.11 -1.04 -0.33 0.00 -1.83 0.00 0.00 57.00 53.70 2yre n GLN 6 Cb 0.66 -2.05 -0.16 0.00 -0.86 0.00 0.00 30.24 27.83 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2yre s HIS 7 N -2.27 2.74 0.46 2.61 3.76 -1.26 -4.99 115.29 116.34 2yre s HIS 7 Ca 0.68 -1.31 0.27 0.00 -0.15 0.00 0.00 55.06 54.55 2yre s HIS 7 Cb -0.20 -1.88 1.31 0.00 1.11 0.00 0.00 32.58 32.92 2yre s HIS 7 CO 0.62 -0.62 1.79 0.77 -0.85 0.00 0.00 174.74 176.46 2yre h SER 8 N 7.51 0.24 0.00 1.40 0.02 -1.73 0.15 113.55 121.13 2yre h SER 8 Ca -0.36 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2yre h SER 8 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2yre h SER 8 CO 0.58 0.04 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.57 2yre h HIS 9 N 0.21 0.00 -0.86 3.45 -0.00 -1.61 -3.32 115.15 113.02 2yre h HIS 9 Ca 0.57 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 61.09 2yre h HIS 9 Cb 1.82 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 29.08 2yre h HIS 9 CO -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 177.93 177.61 2yre h VAL 11 N -0.04 0.20 -0.85 0.00 -1.51 -0.88 0.75 116.25 113.93 2yre h VAL 11 Ca 0.34 -0.07 -0.57 0.00 -1.23 0.00 0.00 66.70 65.18 2yre h VAL 11 Cb 0.60 -0.02 -0.31 0.00 -2.13 0.00 0.00 31.29 29.44 2yre h VAL 11 CO -0.89 0.04 0.27 0.59 -1.23 0.00 0.00 177.57 176.35 2yre n ASN 12 N -5.16 5.90 -4.06 4.19 5.03 0.18 -4.95 115.26 116.39 2yre n ASN 12 Ca 0.31 -3.76 -0.23 0.00 0.87 0.00 0.00 54.58 51.77 2yre n ASN 12 Cb 1.01 -0.75 -0.16 0.00 -1.02 0.00 0.00 39.78 38.86 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2yre n VAL 14 N 3.32 0.00 -1.54 0.00 0.24 -1.26 -4.93 118.33 114.17 2yre n VAL 14 Ca -0.19 0.00 -0.53 0.00 -2.04 0.00 0.00 64.34 61.58 2yre n VAL 14 Cb 0.53 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.97 0.72 0.05 -1.34 2.88 -1.26 -4.88 113.62 107.82 2yre n SER 15 Ca 0.00 1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 58.48 2yre n SER 15 Cb 0.27 -1.08 -0.12 0.00 -0.75 0.00 0.00 64.21 62.53 2yre n SER 15 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2yre h ARG 16 N 3.34 0.61 -1.80 -1.46 3.08 -1.98 -3.27 114.38 112.89 2yre h ARG 16 Ca -0.46 -0.71 -0.25 0.00 0.07 0.00 0.00 59.98 58.63 2yre h ARG 16 Cb 1.38 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 31.55 2yre h ARG 16 CO 0.69 1.30 0.19 0.54 -1.07 0.00 0.00 179.97 181.62 2yre n ARG 17 N -3.92 1.74 -2.54 0.04 3.00 -1.26 -4.85 116.66 108.87 2yre n ARG 17 Ca -0.12 -1.23 -0.42 0.00 -0.01 0.00 0.00 57.85 56.07 2yre n ARG 17 Cb 0.87 -1.61 -0.02 0.00 0.00 0.00 0.00 32.46 31.69 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 8.29 2.86 -2.80 0.00 2.81 -1.26 -4.87 117.12 122.14 2yre n MET 19 Ca 0.11 -3.53 -0.42 0.00 -1.81 0.00 0.00 57.70 52.04 2yre n MET 19 Cb 0.49 -2.28 -0.03 0.00 -0.71 0.00 0.00 33.22 30.68 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 -4.92 4.76 -0.44 2.03 2.01 -1.26 -4.94 115.64 112.87 2yre s THR 20 Ca 0.59 1.70 -0.41 0.00 0.31 0.00 0.00 61.69 63.88 2yre s THR 20 Cb 0.47 -4.20 -0.17 0.00 0.01 0.00 0.00 72.50 68.60 2yre s THR 20 CO -0.14 -0.15 1.52 -1.14 -0.69 0.00 0.00 174.62 174.02 2yre n ARG 21 N 6.18 0.00 -2.06 4.92 0.63 -1.26 -4.76 116.66 120.31 2yre n ARG 21 Ca 0.08 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2yre n ARG 21 Cb 0.47 -1.32 -0.03 0.00 0.45 0.00 0.00 32.46 32.03 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 3.24 2.99 -0.09 -0.14 0.04 -1.26 -4.77 135.00 135.01 2yre s PRO 22 Ca 0.95 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2yre s PRO 22 Cb -1.32 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 28.91 2yre s PRO 22 CO 0.69 -2.28 0.09 -2.00 0.04 0.00 0.00 177.00 173.54 2yre s GLU 23 N 6.30 3.25 -0.95 4.56 2.12 0.25 -4.85 118.70 129.39 2yre s GLU 23 Ca 0.71 -0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.52 2yre s GLU 23 Cb -0.16 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2yre s GLU 23 CO 0.27 0.73 1.94 -1.25 -0.54 0.00 0.00 175.26 176.41 2yre s PRO 24 N -1.13 2.54 0.00 4.30 0.04 -1.26 -2.12 135.00 137.38 2yre s PRO 24 Ca 0.16 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2yre s PRO 24 Cb -0.12 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2yre s PRO 24 CO 0.06 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 174.03 2yre n GLY 25 N 6.68 2.97 0.08 0.56 0.00 -1.26 -4.96 105.19 109.26 2yre n GLY 25 Ca 0.41 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 1.46 -3.89 -0.61 -0.00 -1.10 -4.31 119.36 110.91 2yre n ILE 26 Ca 0.00 0.14 -0.11 0.00 -0.00 0.00 0.00 62.75 62.78 2yre n ILE 26 Cb 0.00 -2.32 -0.11 0.00 -0.00 0.00 0.00 39.64 37.21 2yre n ILE 26 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2yre s SER 27 N -5.98 0.06 0.33 4.38 1.04 -0.90 -1.53 113.70 111.09 2yre s SER 27 Ca -0.21 -0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.09 2yre s SER 27 Cb 0.04 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 2yre s SER 27 CO 0.33 -0.30 0.16 0.00 0.98 0.00 0.00 173.24 174.41 2yre s ASP 29 N -3.85 4.07 0.11 0.00 1.11 -1.26 -4.75 116.67 112.10 2yre s ASP 29 Ca 0.37 2.29 -0.14 0.00 0.18 0.00 0.00 52.55 55.26 2yre s ASP 29 Cb -0.04 -2.58 -0.07 0.00 1.07 0.00 0.00 42.92 41.31 2yre s ASP 29 CO 0.23 -2.35 0.50 -0.76 1.18 0.00 0.00 175.17 173.98 2yre s LEU 30 N -5.38 4.37 -0.01 1.23 1.43 -1.26 -2.72 118.68 116.34 2yre s LEU 30 Ca 0.72 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2yre s LEU 30 Cb -0.27 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.84 2yre s LEU 30 CO 0.47 0.15 0.00 0.27 0.23 0.00 0.00 176.35 177.48 2yre s ILE 31 N -1.39 0.04 0.36 -0.59 -5.25 -0.78 -4.85 121.20 108.74 2yre s ILE 31 Ca 0.35 0.04 -0.27 0.00 -0.99 0.00 0.00 60.65 59.78 2yre s ILE 31 Cb -0.15 -0.08 -0.09 0.00 2.95 0.00 0.00 42.46 45.09 2yre s ILE 31 CO 0.18 0.04 1.17 -0.83 -1.79 0.00 0.00 174.94 173.72 2yre s GLY 32 N 0.33 2.93 0.14 6.27 0.00 -1.26 -3.23 107.32 112.50 2yre s GLY 32 Ca -0.03 0.99 -0.34 0.00 0.00 0.00 0.00 44.72 45.35 2yre s GLY 32 CO -0.01 1.55 1.07 0.00 0.00 0.00 0.00 173.10 175.70 2yre n PRO 34 N 1.63 0.25 -0.34 0.00 -0.04 -1.26 -1.99 135.00 133.24 2yre n PRO 34 Ca 0.16 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2yre n PRO 34 Cb 0.22 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.25 3.51 -3.18 1.53 4.77 -1.26 -4.96 117.00 116.17 2yre n LEU 35 Ca 0.08 -2.63 -0.17 0.00 -0.03 0.00 0.00 56.01 53.25 2yre n LEU 35 Cb 0.11 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2yre n LEU 35 CO 0.11 0.69 -0.06 1.33 -1.33 0.00 0.00 177.39 178.13 2yre n VAL 36 N -0.13 -0.34 0.26 4.08 0.24 -0.84 -4.76 118.33 116.83 2yre n VAL 36 Ca 0.17 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.57 2yre n VAL 36 Cb 0.71 -0.80 0.68 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.07 0.61 3.47 0.00 0.00 -1.26 -5.05 105.19 101.89 2yre n GLY 38 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.84 -1.42 -0.25 4.61 0.00 -1.26 -5.09 121.76 117.51 2yre s ALA 39 Ca 0.00 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 2yre s ALA 39 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2yre s ALA 39 CO 0.00 -0.28 -0.01 0.08 0.00 0.00 0.00 175.76 175.55 2yre s VAL 40 N 0.05 3.41 0.14 0.00 1.01 -1.26 -2.34 120.40 121.41 2yre s VAL 40 Ca -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2yre s VAL 40 Cb -0.04 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2yre s VAL 40 CO 0.02 0.23 -0.05 0.72 0.00 0.00 0.00 175.10 176.02 2yre s PHE 41 N 1.44 1.10 0.25 5.22 -0.12 -1.20 -4.59 117.98 120.08 2yre s PHE 41 Ca 0.03 -0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 55.69 2yre s PHE 41 Cb -0.16 -0.61 -0.11 0.00 -0.63 0.00 0.00 43.02 41.51 2yre s PHE 41 CO -0.02 -0.12 1.54 -1.01 -0.05 0.00 0.00 175.22 175.57 2yre s HIS 42 N -3.56 2.92 0.31 3.49 3.76 -1.26 -1.87 115.29 119.08 2yre s HIS 42 Ca 0.17 0.82 0.11 0.00 -0.15 0.00 0.00 55.06 56.01 2yre s HIS 42 Cb 0.05 -3.95 0.98 0.00 1.11 0.00 0.00 32.58 30.77 2yre s HIS 42 CO -0.00 -3.25 1.44 -1.13 -0.85 0.00 0.00 174.74 170.94 2yre n SER 43 N 2.69 0.12 -0.06 1.40 3.41 -1.10 0.11 113.62 120.19 2yre n SER 43 Ca 0.09 1.54 -0.13 0.00 -0.26 0.00 0.00 58.87 60.11 2yre n SER 43 Cb 0.39 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.00 0.46 -0.52 0.00 1.79 0.49 -2.97 116.57 115.82 2yre h LYS 45 Ca 0.03 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2yre h LYS 45 Cb 0.58 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 2yre h LYS 45 CO 0.03 0.30 -0.33 0.00 -1.08 0.00 0.00 179.45 178.37 2yre h ALA 46 N 1.68 -0.33 -1.07 3.86 0.00 -0.88 0.71 119.26 123.21 2yre h ALA 46 Ca 0.30 0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.62 2yre h ALA 46 Cb 0.53 1.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 2yre h ALA 46 CO -0.09 -0.55 0.71 -0.25 0.00 0.00 0.00 179.25 179.07 2yre n ASP 47 N -4.24 0.12 -0.08 0.00 8.00 -1.12 0.11 116.55 119.34 2yre n ASP 47 Ca 0.01 0.93 -0.21 0.00 0.71 0.00 0.00 54.79 56.22 2yre n ASP 47 Cb 0.15 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.67 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2yre h GLU 48 N 0.00 0.06 -0.20 -1.24 5.08 0.07 -3.39 114.58 114.96 2yre h GLU 48 Ca 0.64 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.95 2yre h GLU 48 Cb 2.17 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.39 2yre h GLU 48 CO -0.26 1.05 -0.19 1.25 -1.00 0.00 0.00 179.01 179.86 2yre h HIS 49 N -0.78 -0.49 -0.92 4.33 2.76 0.39 -1.46 115.15 118.98 2yre h HIS 49 Ca -0.34 0.03 0.36 0.00 -2.20 0.00 0.00 60.37 58.21 2yre h HIS 49 Cb 1.44 0.25 -0.17 0.00 1.55 0.00 0.00 27.41 30.48 2yre h HIS 49 CO 0.10 -0.27 0.39 2.89 -1.30 0.00 0.00 177.93 179.75 2yre n ARG 50 N -5.34 -0.06 -0.28 5.26 1.85 0.73 0.19 116.66 119.00 2yre n ARG 50 Ca -0.01 1.30 0.01 0.00 -1.00 0.00 0.00 57.85 58.14 2yre n ARG 50 Cb 0.25 -2.27 0.14 0.00 -1.05 0.00 0.00 32.46 29.53 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 0.72 0.16 2.89 3.38 -1.45 -2.90 115.31 118.10 2yre h LEU 51 Ca 0.74 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 58.48 2yre h LEU 51 Cb 1.88 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 42.52 2yre h LEU 51 CO -0.74 0.45 -1.21 -0.07 0.09 0.00 0.00 178.44 176.95 2yre h LEU 52 N 0.85 0.52 -4.96 1.67 3.38 0.20 -3.47 115.31 113.50 2yre h LEU 52 Ca 0.36 -0.91 -0.44 0.00 0.09 0.00 0.00 57.88 56.97 2yre h LEU 52 Cb 0.22 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.83 2yre h LEU 52 CO -0.19 1.56 0.10 0.00 0.09 0.00 0.00 178.44 179.99 2yre h PRO 54 N 1.85 0.00 0.12 0.00 0.13 -1.91 -3.08 132.00 129.12 2yre h PRO 54 Ca -0.27 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.53 2yre h PRO 54 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2yre h PRO 54 CO 0.39 0.00 -1.69 0.74 -0.23 0.00 0.00 178.00 177.21 2yre h PHE 55 N 0.00 0.47 -0.95 1.56 -1.00 -1.92 -0.01 116.94 115.09 2yre h PHE 55 Ca 0.00 -0.34 -0.69 0.00 2.81 0.00 0.00 57.97 59.75 2yre h PHE 55 Cb 0.40 -0.02 0.08 0.00 3.61 0.00 0.00 35.95 40.02 2yre h PHE 55 CO 0.00 1.67 -0.25 -1.91 -1.61 0.00 0.00 178.31 176.21 2yre n GLU 56 N -3.74 0.00 -1.81 1.51 4.07 -1.16 -4.28 120.64 115.22 2yre n GLU 56 Ca -0.28 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.40 2yre n GLU 56 Cb 0.97 -1.17 -0.03 0.00 -0.06 0.00 0.00 31.44 31.15 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 -0.51 4.16 0.03 5.31 3.52 -1.26 -3.89 118.95 126.31 2yre s ARG 57 Ca 0.73 2.47 0.03 0.00 -0.13 0.00 0.00 55.73 58.83 2yre s ARG 57 Cb -1.03 -3.70 -0.02 0.00 -1.56 0.00 0.00 34.95 28.63 2yre s ARG 57 CO 0.54 -0.82 -0.10 0.14 -0.81 0.00 0.00 175.30 174.25 2yre s VAL 58 N 3.04 0.77 0.42 7.11 -7.23 -0.16 -4.95 120.40 119.40 2yre s VAL 58 Ca 0.79 -0.84 -0.25 0.00 -1.81 0.00 0.00 61.98 59.88 2yre s VAL 58 Cb -0.42 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.71 2yre s VAL 58 CO 0.35 -0.08 1.18 -2.16 -0.31 0.00 0.00 175.10 174.08 2yre s PRO 59 N -1.02 3.96 0.14 4.82 0.04 -1.26 -1.78 135.00 139.90 2yre s PRO 59 Ca -0.02 1.85 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 2yre s PRO 59 Cb -0.07 -2.61 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 2yre s PRO 59 CO 0.01 -0.41 0.86 0.00 0.04 0.00 0.00 177.00 177.50 2yre h LEU 61 N 2.20 -0.74 -3.54 0.00 3.38 -1.92 0.53 115.31 115.22 2yre h LEU 61 Ca -0.39 0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2yre h LEU 61 Cb 1.41 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 42.64 2yre h LEU 61 CO 0.63 -0.31 -0.01 0.59 0.09 0.00 0.00 178.44 179.42 2yre n ASN 62 N -5.56 5.61 -0.21 -0.43 3.02 -1.26 -4.50 115.26 111.94 2yre n ASN 62 Ca 0.17 -2.62 -0.04 0.00 -0.03 0.00 0.00 54.58 52.06 2yre n ASN 62 Cb 0.54 -1.22 0.07 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.89 0.55 -0.95 6.41 4.64 -0.23 -2.79 113.55 123.07 2yre h SER 63 Ca 0.15 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.62 2yre h SER 63 Cb 1.12 -0.10 -0.15 0.00 -0.31 0.00 0.00 62.40 62.95 2yre h SER 63 CO 0.28 0.38 -0.40 0.44 -0.87 0.00 0.00 176.83 176.66 2yre h ASP 64 N 0.68 -1.47 -0.86 4.97 3.32 -1.84 0.61 116.42 121.82 2yre h ASP 64 Ca 0.25 0.30 0.21 0.00 0.02 0.00 0.00 57.03 57.82 2yre h ASP 64 Cb 0.08 0.76 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 2yre h ASP 64 CO -0.13 -0.29 0.32 -0.26 -1.72 0.00 0.00 179.24 177.16 2yre h PHE 65 N -0.02 0.51 0.00 4.55 -1.00 -1.87 -3.45 116.94 115.66 2yre h PHE 65 Ca 0.32 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.14 2yre h PHE 65 Cb 0.58 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2yre h PHE 65 CO -0.86 -0.10 0.00 0.41 -1.61 0.00 0.00 178.31 176.15 2yre n GLY 66 N -1.35 0.86 3.58 -1.45 0.00 0.21 -5.10 105.19 101.95 2yre n GLY 66 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 7.32 0.27 -2.32 0.00 -0.04 -1.26 -4.55 135.00 134.41 2yre n PRO 68 Ca 0.08 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 2yre n PRO 68 Cb 0.49 -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 -2.46 3.37 -0.03 0.54 0.40 -1.26 -5.00 117.98 113.53 2yre s PHE 69 Ca 0.16 1.19 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 2yre s PHE 69 Cb 0.10 -3.52 0.02 0.00 0.51 0.00 0.00 43.02 40.13 2yre s PHE 69 CO 0.22 -1.68 -0.04 0.95 0.70 0.00 0.00 175.22 175.38 2yre s THR 70 N 0.97 0.43 0.30 0.64 -4.23 -1.26 -2.15 115.64 110.34 2yre s THR 70 Ca 0.60 -0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.84 2yre s THR 70 Cb -0.32 -0.46 0.06 0.00 1.34 0.00 0.00 72.50 73.11 2yre s THR 70 CO 0.30 0.19 0.88 0.00 -0.54 0.00 0.00 174.62 175.45 2yre s MET 71 N 0.79 1.84 0.93 3.99 0.23 -0.73 -4.92 119.30 121.43 2yre s MET 71 Ca -0.10 -1.16 -0.11 0.00 -1.03 0.00 0.00 55.69 53.29 2yre s MET 71 Cb -0.13 0.53 0.11 0.00 -1.53 0.00 0.00 34.83 33.81 2yre s MET 71 CO -0.00 -0.86 0.89 0.00 -2.03 0.00 0.00 175.02 173.02 2yre n ALA 72 N -0.58 -1.44 -0.03 3.16 0.00 -1.26 -0.99 120.51 119.37 2yre n ALA 72 Ca -0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2yre n ALA 72 Cb 0.60 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.79 0.72 0.00 0.00 3.08 -1.13 -0.84 114.38 114.41 2yre h ARG 73 Ca -0.43 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.13 2yre h ARG 73 Cb 1.27 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2yre h ARG 73 CO 0.39 1.11 0.00 -1.71 -1.07 0.00 0.00 179.97 178.68 2yre n ASN 74 N -3.96 0.00 -0.00 7.04 5.15 -0.86 -2.93 115.26 119.70 2yre n ASN 74 Ca -0.04 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 2yre n ASN 74 Cb 0.65 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.89 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 -0.82 1.18 -0.30 1.20 4.01 -1.05 -4.71 118.16 117.66 2yre n LYS 75 Ca 0.13 -0.01 0.12 0.00 -0.51 0.00 0.00 58.31 58.05 2yre n LYS 75 Cb 0.06 -1.02 0.28 0.00 -0.51 0.00 0.00 35.03 33.84 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 0.29 -0.36 -0.18 2.07 -1.03 -1.68 116.25 115.36 2yre h VAL 76 Ca -0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2yre h VAL 76 Cb 0.35 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2yre h VAL 76 CO 0.00 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.26 2yre h ALA 77 N 1.79 -0.55 -0.87 1.67 0.00 -1.84 0.17 119.26 119.63 2yre h ALA 77 Ca 0.54 0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.70 2yre h ALA 77 Cb 1.10 1.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.79 2yre h ALA 77 CO -0.68 -0.74 0.18 1.49 0.00 0.00 0.00 179.25 179.49 2yre h GLU 78 N -0.19 0.16 -0.24 0.00 4.22 -1.64 0.18 114.58 117.07 2yre h GLU 78 Ca 0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 2yre h GLU 78 Cb 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2yre h GLU 78 CO -0.44 0.10 0.13 1.25 -2.18 0.00 0.00 179.01 177.88 2yre h HIS 79 N 0.16 0.33 -1.09 0.92 2.76 -0.83 -2.53 115.15 114.87 2yre h HIS 79 Ca 0.54 -0.01 0.31 0.00 -2.20 0.00 0.00 60.37 59.01 2yre h HIS 79 Cb 1.08 -0.10 -0.11 0.00 1.55 0.00 0.00 27.41 29.82 2yre h HIS 79 CO -0.32 0.29 0.69 -0.07 -1.30 0.00 0.00 177.93 177.22 2yre h LEU 80 N 0.27 0.43 -0.86 0.26 3.38 0.20 0.81 115.31 119.81 2yre h LEU 80 Ca 0.08 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2yre h LEU 80 Cb 0.07 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2yre h LEU 80 CO -0.01 0.00 0.53 -0.33 0.09 0.00 0.00 178.44 178.72 2yre h GLU 81 N 0.34 0.92 -0.23 1.13 5.08 -1.12 -2.32 114.58 118.38 2yre h GLU 81 Ca 0.67 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.92 2yre h GLU 81 Cb 1.73 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.74 2yre h GLU 81 CO -0.38 0.61 -0.05 0.00 -1.00 0.00 0.00 179.01 178.19 2yre n MET 82 N -4.64 2.22 -2.88 2.33 0.00 0.14 -4.77 117.12 109.52 2yre n MET 82 Ca 0.13 -2.92 -0.40 0.00 0.00 0.00 0.00 57.70 54.51 2yre n MET 82 Cb 0.20 -1.76 -0.06 0.00 0.00 0.00 0.00 33.22 31.60 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 4.36 0.67 0.00 0.00 0.13 -1.89 -3.05 132.00 132.23 2yre h PRO 84 Ca -0.46 -0.35 -0.03 0.00 -0.87 0.00 0.00 66.00 64.29 2yre h PRO 84 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yre h PRO 84 CO 0.67 0.96 -0.12 0.00 -0.23 0.00 0.00 178.00 179.28 2yre h ALA 85 N 0.70 1.49 0.00 -0.56 0.00 -1.94 -1.15 119.26 117.80 2yre h ALA 85 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yre h ALA 85 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2yre h ALA 85 CO 0.07 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.90 2yre n SER 86 N -3.95 0.57 -3.35 0.00 7.64 -1.15 -4.86 113.62 108.51 2yre n SER 86 Ca -0.02 0.64 -0.16 0.00 1.01 0.00 0.00 58.87 60.34 2yre n SER 86 Cb 0.22 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.61 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 -2.13 -0.44 -3.63 0.44 0.24 -0.44 -4.85 118.33 107.52 2yre n VAL 87 Ca 0.02 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2yre n VAL 87 Cb 0.22 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.01 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 -3.52 0.14 0.00 -1.34 1.04 -1.26 -5.12 113.70 103.63 2yre s SER 88 Ca 0.04 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2yre s SER 88 Cb -0.02 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.09 2yre s SER 88 CO 0.49 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2yre n GLY 89 N 5.37 4.10 0.20 7.32 0.00 -1.26 -4.82 105.19 116.10 2yre n GLY 89 Ca -0.07 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.44 2yre n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yre h PRO 90 N 0.00 0.00 -4.27 1.61 0.13 -2.00 -3.46 132.00 124.02 2yre h PRO 90 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2yre h PRO 90 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2yre h PRO 90 CO 0.00 0.33 -0.47 -1.54 -0.23 0.00 0.00 178.00 176.09 2yre s SER 91 N -6.48 0.09 -0.26 1.44 1.04 -1.26 -5.08 113.70 103.19 2yre s SER 91 Ca -0.01 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.13 2yre s SER 91 Cb 0.12 0.43 -0.15 0.00 0.10 0.00 0.00 66.02 66.52 2yre s SER 91 CO 0.67 -0.91 -0.22 -0.24 0.98 0.00 0.00 173.24 173.52 2yre n SER 92 N -0.28 1.97 0.00 7.02 2.88 -1.26 -4.92 113.62 119.04 2yre n SER 92 Ca -0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2yre n SER 92 Cb 0.64 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42