#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 -0.27 -0.11 1.61 1.04 -1.26 -5.18 113.70 109.52 2yre s SER -5 Ca 0.00 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 56.61 2yre s SER -5 Cb 0.00 0.80 0.12 0.00 0.10 0.00 0.00 66.02 67.05 2yre s SER -5 CO 0.00 -0.08 1.00 -0.55 0.98 0.00 0.00 173.24 174.59 2yre s SER -4 N 0.67 -0.33 -0.30 7.02 0.15 -1.26 -5.18 113.70 114.47 2yre s SER -4 Ca -0.02 0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.57 2yre s SER -4 Cb -0.04 0.30 0.20 0.00 -1.71 0.00 0.00 66.02 64.77 2yre s SER -4 CO -0.12 -0.42 1.47 -0.83 1.20 0.00 0.00 173.24 174.54 2yre s GLY -3 N -1.75 0.36 -0.14 9.45 0.00 -1.26 -5.18 107.32 108.80 2yre s GLY -3 Ca 0.03 3.49 -0.29 0.00 0.00 0.00 0.00 44.72 47.94 2yre s GLY -3 CO -0.03 1.80 0.76 -0.56 0.00 0.00 0.00 173.10 175.06 2yre s SER -2 N -0.18 -0.63 -0.28 1.64 0.01 -1.26 -5.17 113.70 107.83 2yre s SER -2 Ca 0.08 0.88 -0.26 0.00 1.31 0.00 0.00 55.95 57.96 2yre s SER -2 Cb -0.04 0.77 0.14 0.00 0.21 0.00 0.00 66.02 67.10 2yre s SER -2 CO -0.15 -0.45 1.15 -0.94 0.41 0.00 0.00 173.24 173.26 2yre s SER -1 N -0.67 -0.33 -0.03 2.44 1.04 -1.26 -5.19 113.70 109.71 2yre s SER -1 Ca -0.06 0.61 -0.30 0.00 0.48 0.00 0.00 55.95 56.68 2yre s SER -1 Cb -0.02 0.61 0.11 0.00 0.10 0.00 0.00 66.02 66.82 2yre s SER -1 CO 0.05 -0.13 0.99 -0.83 0.98 0.00 0.00 173.24 174.30 2yre s GLY 0 N 0.03 -0.40 -0.28 7.32 0.00 -1.26 -5.18 107.32 107.56 2yre s GLY 0 Ca 0.04 1.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.55 2yre s GLY 0 CO -0.08 0.33 0.85 -3.16 0.00 0.00 0.00 173.10 171.05 2yre s MET 1 N -2.95 0.69 -0.05 2.90 0.00 -1.26 -5.16 119.30 113.47 2yre s MET 1 Ca 0.07 0.83 0.01 0.00 0.00 0.00 0.00 55.69 56.61 2yre s MET 1 Cb -0.01 0.33 0.02 0.00 0.00 0.00 0.00 34.83 35.17 2yre s MET 1 CO -0.07 -0.08 -0.07 -1.83 0.00 0.00 0.00 175.02 172.97 2yre s GLU 2 N 0.35 1.08 -0.15 3.16 -1.05 -1.26 -5.13 118.70 115.70 2yre s GLU 2 Ca 0.01 -0.19 -0.09 0.00 -0.15 0.00 0.00 54.97 54.55 2yre s GLU 2 Cb -0.05 -1.00 0.05 0.00 -0.44 0.00 0.00 34.13 32.69 2yre s GLU 2 CO -0.03 -0.05 0.37 -2.00 0.95 0.00 0.00 175.26 174.50 2yre s GLU 3 N 0.85 0.36 -0.08 -4.83 2.12 -1.26 -5.14 118.70 110.72 2yre s GLU 3 Ca -0.12 0.68 -0.27 0.00 0.36 0.00 0.00 54.97 55.62 2yre s GLU 3 Cb -0.15 -0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 2yre s GLU 3 CO 0.01 -0.14 0.86 -2.00 -0.54 0.00 0.00 175.26 173.45 2yre s GLU 4 N 1.15 4.44 0.56 4.30 2.56 -1.26 -5.06 118.70 125.38 2yre s GLU 4 Ca -0.08 1.15 0.07 0.00 0.00 0.00 0.00 54.97 56.11 2yre s GLU 4 Cb -0.08 -3.49 0.10 0.00 2.00 0.00 0.00 34.13 32.65 2yre s GLU 4 CO -0.09 -0.12 0.77 1.47 -0.56 0.00 0.00 175.26 176.73 2yre n LEU 5 N 4.33 0.00 -4.83 2.70 -0.00 -1.26 -5.10 117.00 112.85 2yre n LEU 5 Ca 0.04 -2.21 -0.32 0.00 -0.00 0.00 0.00 56.01 53.52 2yre n LEU 5 Cb 0.50 -0.43 0.03 0.00 -0.00 0.00 0.00 43.42 43.52 2yre n LEU 5 CO 0.49 -0.74 0.71 0.00 -0.00 0.00 0.00 177.39 177.85 2yre s GLN 6 N -4.49 3.24 -0.27 1.47 -2.07 -1.26 -5.05 119.66 111.23 2yre s GLN 6 Ca 0.56 0.99 -0.02 0.00 -1.82 0.00 0.00 55.36 55.07 2yre s GLN 6 Cb -0.04 -2.03 0.04 0.00 -1.09 0.00 0.00 33.01 29.88 2yre s GLN 6 CO 0.36 -0.86 -0.03 -1.01 -1.32 0.00 0.00 175.29 172.43 2yre s HIS 7 N -2.87 3.16 0.45 9.60 3.76 -1.26 -4.98 115.29 123.15 2yre s HIS 7 Ca 0.59 -1.68 0.30 0.00 -0.15 0.00 0.00 55.06 54.12 2yre s HIS 7 Cb -0.14 -2.09 1.40 0.00 1.11 0.00 0.00 32.58 32.87 2yre s HIS 7 CO 0.48 -0.76 1.67 1.03 -0.85 0.00 0.00 174.74 176.31 2yre h SER 8 N 8.01 0.24 0.00 1.40 0.87 -1.75 0.26 113.55 122.57 2yre h SER 8 Ca -0.27 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2yre h SER 8 Cb 1.09 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2yre h SER 8 CO 0.56 -0.09 0.00 1.57 -0.53 0.00 0.00 176.83 178.33 2yre n HIS 9 N -4.56 0.00 -0.30 2.24 -0.00 -1.08 -3.67 115.22 107.85 2yre n HIS 9 Ca 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 58.03 2yre n HIS 9 Cb 1.35 -0.46 0.02 0.00 -0.00 0.00 0.00 29.99 30.90 2yre n HIS 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yre h VAL 11 N -0.08 0.19 -0.71 0.00 -1.51 -0.68 0.82 116.25 114.28 2yre h VAL 11 Ca 0.29 -0.03 -0.51 0.00 -1.23 0.00 0.00 66.70 65.22 2yre h VAL 11 Cb 0.57 0.11 -0.35 0.00 -2.13 0.00 0.00 31.29 29.49 2yre h VAL 11 CO -0.85 0.01 -0.45 -0.46 -1.23 0.00 0.00 177.57 174.59 2yre n ASN 12 N -4.38 5.01 -3.93 4.19 0.23 0.27 -4.98 115.26 111.66 2yre n ASN 12 Ca 0.35 -3.77 -0.24 0.00 -0.53 0.00 0.00 54.58 50.39 2yre n ASN 12 Cb 1.49 -0.48 -0.17 0.00 -2.08 0.00 0.00 39.78 38.54 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 4.31 0.03 -1.69 0.00 0.24 -1.26 -4.91 118.33 115.05 2yre n VAL 14 Ca -0.19 -0.01 -0.60 0.00 -2.04 0.00 0.00 64.34 61.49 2yre n VAL 14 Cb 0.51 -0.55 -0.08 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.48 1.68 0.19 -1.34 2.88 -1.26 -4.82 113.62 108.47 2yre n SER 15 Ca -0.01 1.13 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 2yre n SER 15 Cb 0.51 -1.04 0.33 0.00 -0.75 0.00 0.00 64.21 63.26 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 5.76 0.00 -1.08 -1.46 0.11 -1.96 -3.01 114.38 112.74 2yre h ARG 16 Ca -0.46 0.00 -0.42 0.00 0.10 0.00 0.00 59.98 59.20 2yre h ARG 16 Cb 1.35 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.20 2yre h ARG 16 CO 0.91 0.35 0.54 0.54 0.10 0.00 0.00 179.97 182.42 2yre n ARG 17 N -3.48 2.02 -1.97 0.08 5.12 -1.26 -4.65 116.66 112.52 2yre n ARG 17 Ca 0.00 -2.29 -0.42 0.00 -1.93 0.00 0.00 57.85 53.20 2yre n ARG 17 Cb 0.51 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 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 6.51 3.47 -2.87 0.00 0.00 -1.26 -4.96 117.12 118.01 2yre n MET 19 Ca 0.17 -4.04 -0.34 0.00 0.00 0.00 0.00 57.70 53.49 2yre n MET 19 Cb 0.42 -2.28 -0.07 0.00 0.00 0.00 0.00 33.22 31.29 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 -4.66 4.42 -0.04 3.17 2.01 -1.26 -4.99 115.64 114.29 2yre s THR 20 Ca 0.53 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.68 2yre s THR 20 Cb 0.42 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 2yre s THR 20 CO 0.02 -0.22 1.64 -0.60 -0.69 0.00 0.00 174.62 174.78 2yre s ARG 21 N -2.96 4.19 -0.44 4.92 6.06 -1.26 -4.93 118.95 124.54 2yre s ARG 21 Ca 0.59 2.19 -0.28 0.00 -2.50 0.00 0.00 55.73 55.73 2yre s ARG 21 Cb -0.11 -3.93 -0.01 0.00 0.06 0.00 0.00 34.95 30.96 2yre s ARG 21 CO 0.15 -0.82 1.76 -1.25 -2.50 0.00 0.00 175.30 172.64 2yre s PRO 22 N 3.81 3.14 0.30 5.12 0.04 -1.26 -4.55 135.00 141.60 2yre s PRO 22 Ca 0.73 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2yre s PRO 22 Cb -0.34 -4.23 -0.03 0.00 0.04 0.00 0.00 34.50 29.94 2yre s PRO 22 CO 0.30 -2.10 0.48 -1.21 0.04 0.00 0.00 177.00 174.51 2yre s GLU 23 N 6.00 3.48 0.00 4.56 0.41 0.68 -4.85 118.70 128.97 2yre s GLU 23 Ca 0.73 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 2yre s GLU 23 Cb -0.18 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 2yre s GLU 23 CO 0.29 0.25 0.49 -0.35 -0.49 0.00 0.00 175.26 175.45 2yre n PRO 24 N -1.55 0.49 0.16 0.39 -0.04 -1.26 -4.04 135.00 129.14 2yre n PRO 24 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2yre n PRO 24 Cb 0.56 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.01 -1.37 0.00 0.55 0.00 -1.26 -5.03 105.19 98.07 2yre n GLY 25 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.16 0.00 -4.45 -0.61 -0.00 -1.26 -4.37 119.36 105.51 2yre n ILE 26 Ca 0.00 1.14 -0.24 0.00 -0.00 0.00 0.00 62.75 63.66 2yre n ILE 26 Cb 0.00 -2.00 -0.10 0.00 -0.00 0.00 0.00 39.64 37.53 2yre n ILE 26 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2yre s SER 27 N -2.28 3.48 0.41 4.38 0.15 -1.26 -2.63 113.70 115.96 2yre s SER 27 Ca 0.00 -1.01 0.06 0.00 0.70 0.00 0.00 55.95 55.70 2yre s SER 27 Cb 0.00 -0.28 -0.07 0.00 -1.71 0.00 0.00 66.02 63.96 2yre s SER 27 CO 0.00 0.03 0.02 0.00 1.20 0.00 0.00 173.24 174.49 2yre s ASP 29 N -3.69 5.27 0.05 0.00 1.11 -1.26 -4.63 116.67 113.53 2yre s ASP 29 Ca 0.31 2.61 -0.11 0.00 0.18 0.00 0.00 52.55 55.54 2yre s ASP 29 Cb 0.09 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 2yre s ASP 29 CO 0.16 -1.55 0.40 -0.76 1.18 0.00 0.00 175.17 174.59 2yre s LEU 30 N -3.69 4.38 0.02 1.23 1.43 -1.26 -2.76 118.68 118.03 2yre s LEU 30 Ca 0.73 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2yre s LEU 30 Cb -0.36 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2yre s LEU 30 CO 0.42 0.22 -0.04 0.27 0.23 0.00 0.00 176.35 177.45 2yre s ILE 31 N -1.30 0.18 0.13 -0.59 -5.25 -0.59 -4.85 121.20 108.92 2yre s ILE 31 Ca 0.30 -0.95 -0.17 0.00 -0.99 0.00 0.00 60.65 58.85 2yre s ILE 31 Cb -0.15 -0.33 -0.07 0.00 2.95 0.00 0.00 42.46 44.86 2yre s ILE 31 CO 0.16 -0.49 0.57 -0.83 -1.79 0.00 0.00 174.94 172.57 2yre s GLY 32 N -1.50 2.55 0.09 6.27 0.00 -1.26 -2.09 107.32 111.38 2yre s GLY 32 Ca -0.15 -0.05 -0.35 0.00 0.00 0.00 0.00 44.72 44.18 2yre s GLY 32 CO -0.01 0.29 0.88 0.00 0.00 0.00 0.00 173.10 174.26 2yre n PRO 34 N 1.34 0.49 -0.17 0.00 -0.04 -1.26 -2.01 135.00 133.36 2yre n PRO 34 Ca 0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 2yre n PRO 34 Cb 0.15 -1.47 0.17 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.97 2.76 -3.75 1.53 4.77 -1.26 -4.97 117.00 115.11 2yre n LEU 35 Ca 0.11 -3.04 -0.28 0.00 -0.03 0.00 0.00 56.01 52.77 2yre n LEU 35 Cb 0.05 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2yre n LEU 35 CO 0.08 0.70 -0.07 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -1.16 -0.51 0.26 4.08 0.24 -0.85 -4.77 118.33 115.62 2yre n VAL 36 Ca 0.17 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 2yre n VAL 36 Cb 0.70 -1.07 0.73 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.82 0.53 3.51 0.00 0.00 -1.26 -5.03 105.19 102.11 2yre n GLY 38 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.13 -1.52 -0.27 4.61 0.00 -1.26 -5.08 121.76 117.10 2yre s ALA 39 Ca 0.00 1.86 -0.07 0.00 0.00 0.00 0.00 51.96 53.75 2yre s ALA 39 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2yre s ALA 39 CO 0.00 -0.31 0.07 0.08 0.00 0.00 0.00 175.76 175.60 2yre s VAL 40 N 0.80 4.05 0.15 0.00 1.01 -1.26 -2.30 120.40 122.85 2yre s VAL 40 Ca -0.04 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2yre s VAL 40 Cb -0.05 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2yre s VAL 40 CO -0.06 0.21 -0.05 0.72 0.00 0.00 0.00 175.10 175.93 2yre s PHE 41 N 1.55 1.17 0.16 5.22 -0.71 -0.89 -4.50 117.98 119.97 2yre s PHE 41 Ca 0.04 -0.91 -0.31 0.00 -1.04 0.00 0.00 56.93 54.71 2yre s PHE 41 Cb -0.16 -0.65 -0.10 0.00 -1.21 0.00 0.00 43.02 40.90 2yre s PHE 41 CO 0.02 -0.10 1.60 -1.01 -1.34 0.00 0.00 175.22 174.40 2yre s HIS 42 N -3.54 2.93 0.23 3.49 3.76 -1.26 -1.55 115.29 119.36 2yre s HIS 42 Ca 0.19 0.54 0.06 0.00 -0.15 0.00 0.00 55.06 55.69 2yre s HIS 42 Cb 0.05 -3.96 0.68 0.00 1.11 0.00 0.00 32.58 30.45 2yre s HIS 42 CO 0.01 -3.62 1.11 -1.13 -0.85 0.00 0.00 174.74 170.26 2yre n SER 43 N 4.24 0.03 -0.07 1.40 3.41 -1.11 0.23 113.62 121.74 2yre n SER 43 Ca 0.14 1.19 -0.11 0.00 -0.26 0.00 0.00 58.87 59.83 2yre n SER 43 Cb 0.38 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.16 1.06 -0.62 0.00 1.79 0.25 -3.00 116.57 116.21 2yre h LYS 45 Ca 0.06 -0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2yre h LYS 45 Cb 0.37 -0.24 -0.07 0.00 -1.58 0.00 0.00 32.23 30.71 2yre h LYS 45 CO 0.01 0.70 -0.37 0.00 -1.08 0.00 0.00 179.45 178.72 2yre n ALA 46 N -2.37 -0.40 -0.28 3.86 0.00 -0.27 0.11 120.51 121.16 2yre n ALA 46 Ca 0.16 0.53 0.07 0.00 0.00 0.00 0.00 53.44 54.19 2yre n ALA 46 Cb 0.22 -0.07 0.15 0.00 0.00 0.00 0.00 19.45 19.75 2yre n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yre n ASP 47 N -4.70 -0.23 -0.05 0.00 8.00 -1.13 -0.28 116.55 118.15 2yre n ASP 47 Ca 0.01 1.36 -0.14 0.00 0.71 0.00 0.00 54.79 56.73 2yre n ASP 47 Cb 0.16 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.01 -0.72 -1.24 5.08 0.63 -3.35 114.58 114.99 2yre h GLU 48 Ca 0.41 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.86 2yre h GLU 48 Cb 0.70 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 2yre h GLU 48 CO -0.80 0.90 -0.45 1.25 -1.00 0.00 0.00 179.01 178.91 2yre h HIS 49 N -0.86 -1.32 -0.89 4.33 2.76 0.21 0.22 115.15 119.59 2yre h HIS 49 Ca -0.00 0.09 0.29 0.00 -2.20 0.00 0.00 60.37 58.55 2yre h HIS 49 Cb 0.90 0.68 -0.16 0.00 1.55 0.00 0.00 27.41 30.38 2yre h HIS 49 CO 0.24 -0.41 0.18 0.54 -1.30 0.00 0.00 177.93 177.18 2yre n ARG 50 N -5.40 -0.06 -0.14 5.26 1.74 0.40 0.80 116.66 119.27 2yre n ARG 50 Ca 0.03 1.30 -0.05 0.00 -0.77 0.00 0.00 57.85 58.37 2yre n ARG 50 Cb 0.35 -2.15 0.02 0.00 -1.02 0.00 0.00 32.46 29.65 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 -0.65 0.01 0.55 3.38 -0.71 -2.84 115.31 115.05 2yre h LEU 51 Ca 0.62 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.71 2yre h LEU 51 Cb 1.44 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2yre h LEU 51 CO -0.78 -0.22 -0.16 -0.07 0.09 0.00 0.00 178.44 177.30 2yre h LEU 52 N -0.09 0.11 -5.67 1.67 4.07 0.35 -3.47 115.31 112.29 2yre h LEU 52 Ca 0.22 -0.87 -0.49 0.00 0.08 0.00 0.00 57.88 56.82 2yre h LEU 52 Cb 0.43 -0.04 0.04 0.00 1.08 0.00 0.00 40.66 42.17 2yre h LEU 52 CO -0.51 0.97 -0.02 0.00 -1.08 0.00 0.00 178.44 177.81 2yre h PRO 54 N 1.71 0.40 -0.70 0.00 0.13 -1.90 -3.12 132.00 128.52 2yre h PRO 54 Ca -0.30 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 2yre h PRO 54 Cb 0.90 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 2yre h PRO 54 CO 0.40 0.78 0.16 0.74 -0.23 0.00 0.00 178.00 179.85 2yre h PHE 55 N 0.32 1.19 -0.93 1.56 -1.00 -1.92 0.46 116.94 116.63 2yre h PHE 55 Ca 0.02 -0.14 -0.67 0.00 2.81 0.00 0.00 57.97 59.99 2yre h PHE 55 Cb 0.93 -0.33 0.08 0.00 3.61 0.00 0.00 35.95 40.23 2yre h PHE 55 CO 0.03 0.97 -0.24 -1.91 -1.61 0.00 0.00 178.31 175.55 2yre n GLU 56 N -4.24 0.00 -1.91 1.51 0.00 -1.18 -4.24 120.64 110.58 2yre n GLU 56 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.79 2yre n GLU 56 Cb 0.26 -1.14 -0.03 0.00 0.00 0.00 0.00 31.44 30.54 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 -0.50 4.17 0.04 5.31 6.06 -1.26 -3.85 118.95 128.92 2yre s ARG 57 Ca 0.71 2.31 0.04 0.00 -2.50 0.00 0.00 55.73 56.29 2yre s ARG 57 Cb -1.01 -3.99 -0.02 0.00 0.06 0.00 0.00 34.95 30.00 2yre s ARG 57 CO 0.52 -0.86 -0.12 0.14 -2.50 0.00 0.00 175.30 172.49 2yre s VAL 58 N 3.98 0.89 0.45 7.11 -7.23 -0.30 -4.94 120.40 120.36 2yre s VAL 58 Ca 0.77 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 2yre s VAL 58 Cb -0.36 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.66 2yre s VAL 58 CO 0.33 -0.10 1.17 -2.16 -0.31 0.00 0.00 175.10 174.03 2yre s PRO 59 N -1.19 3.80 0.15 4.82 0.04 -1.26 -1.64 135.00 139.73 2yre s PRO 59 Ca -0.02 1.79 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 2yre s PRO 59 Cb -0.08 -2.45 -0.17 0.00 0.04 0.00 0.00 34.50 31.84 2yre s PRO 59 CO 0.01 -0.52 0.84 0.00 0.04 0.00 0.00 177.00 177.37 2yre h LEU 61 N 2.11 -0.22 -3.13 0.00 3.38 -1.92 1.23 115.31 116.77 2yre h LEU 61 Ca -0.38 0.25 -0.25 0.00 0.09 0.00 0.00 57.88 57.59 2yre h LEU 61 Cb 1.41 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 42.41 2yre h LEU 61 CO 0.62 -0.29 0.32 -0.46 0.09 0.00 0.00 178.44 178.72 2yre n ASN 62 N -5.37 4.88 -0.14 -0.43 0.23 -1.26 -4.47 115.26 108.70 2yre n ASN 62 Ca 0.24 -2.82 -0.06 0.00 -0.53 0.00 0.00 54.58 51.40 2yre n ASN 62 Cb 0.78 -0.86 0.02 0.00 -2.08 0.00 0.00 39.78 37.64 2yre n ASN 62 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2yre h SER 63 N 0.93 0.39 -1.06 0.53 0.87 0.13 -2.18 113.55 113.16 2yre h SER 63 Ca 0.26 0.01 0.37 0.00 -1.23 0.00 0.00 61.79 61.19 2yre h SER 63 Cb 1.33 -0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 63.06 2yre h SER 63 CO 0.56 0.28 0.62 -2.24 -0.53 0.00 0.00 176.83 175.52 2yre h ASP 64 N 0.50 0.41 -0.73 6.23 3.04 -1.82 1.08 116.42 125.14 2yre h ASP 64 Ca 0.18 0.20 -0.02 0.00 -3.24 0.00 0.00 57.03 54.14 2yre h ASP 64 Cb 0.03 0.17 -0.04 0.00 -1.04 0.00 0.00 39.33 38.46 2yre h ASP 64 CO -0.09 -0.22 0.38 -0.26 -2.04 0.00 0.00 179.24 177.01 2yre h PHE 65 N 0.19 1.04 0.00 4.15 -1.00 -1.75 -3.46 116.94 116.11 2yre h PHE 65 Ca 0.78 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.53 2yre h PHE 65 Cb 2.00 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 41.23 2yre h PHE 65 CO -0.01 0.74 0.00 0.41 -1.61 0.00 0.00 178.31 177.84 2yre n GLY 66 N -1.13 0.71 3.52 -1.45 0.00 0.37 -5.12 105.19 102.09 2yre n GLY 66 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2yre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre h PRO 68 N 8.76 0.00 -6.43 0.00 0.13 -1.95 -3.40 132.00 129.10 2yre h PRO 68 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.26 2yre h PRO 68 Cb 1.10 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.29 2yre h PRO 68 CO 0.85 0.00 0.72 1.19 -0.23 0.00 0.00 178.00 180.53 2yre n PHE 69 N -2.78 2.08 -4.04 1.56 3.01 -1.26 -4.90 117.46 111.13 2yre n PHE 69 Ca 0.01 0.36 -0.19 0.00 1.01 0.00 0.00 57.45 58.64 2yre n PHE 69 Cb 0.27 -2.49 -0.16 0.00 -0.01 0.00 0.00 39.48 37.08 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 0.92 0.40 0.34 4.37 -4.23 -1.26 -1.64 115.64 114.54 2yre s THR 70 Ca 0.81 -0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 61.12 2yre s THR 70 Cb -0.75 -0.46 0.05 0.00 1.34 0.00 0.00 72.50 72.68 2yre s THR 70 CO 0.41 0.20 0.82 0.00 -0.54 0.00 0.00 174.62 175.51 2yre s MET 71 N 1.08 2.05 0.53 3.99 0.23 -0.65 -4.92 119.30 121.61 2yre s MET 71 Ca -0.09 -1.30 -0.22 0.00 -1.03 0.00 0.00 55.69 53.06 2yre s MET 71 Cb -0.14 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 2yre s MET 71 CO -0.01 -0.96 1.27 0.00 -2.03 0.00 0.00 175.02 173.29 2yre s ALA 72 N -2.46 2.81 0.29 3.16 0.00 -1.26 -1.15 121.76 123.14 2yre s ALA 72 Ca 0.16 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.29 2yre s ALA 72 Cb -0.05 -3.49 0.59 0.00 0.00 0.00 0.00 23.12 20.18 2yre s ALA 72 CO 0.10 -1.12 1.82 0.00 0.00 0.00 0.00 175.76 176.56 2yre h ARG 73 N 1.53 0.92 0.00 0.00 2.47 -0.17 0.60 114.38 119.73 2yre h ARG 73 Ca -0.50 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 2yre h ARG 73 Cb 1.28 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2yre h ARG 73 CO 0.58 0.61 0.00 -1.71 0.56 0.00 0.00 179.97 180.00 2yre n ASN 74 N -4.65 0.00 0.00 7.04 2.85 -1.21 -3.22 115.26 116.07 2yre n ASN 74 Ca 0.20 -1.85 0.00 0.00 -0.11 0.00 0.00 54.58 52.82 2yre n ASN 74 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2yre n LYS 75 N -0.52 2.67 -0.29 1.20 4.76 0.18 -4.78 118.16 121.38 2yre n LYS 75 Ca 0.01 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 2yre n LYS 75 Cb 0.00 -0.93 0.09 0.00 -1.84 0.00 0.00 35.03 32.36 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2yre n VAL 76 N -1.90 -0.36 -0.12 -0.18 0.31 0.73 -0.77 118.33 116.04 2yre n VAL 76 Ca 0.00 1.85 -0.05 0.00 -0.01 0.00 0.00 64.34 66.13 2yre n VAL 76 Cb 0.43 -2.53 -0.04 0.00 -0.91 0.00 0.00 33.84 30.78 2yre n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yre h ALA 77 N 1.47 -0.35 -1.81 3.52 0.00 -1.86 0.73 119.26 120.96 2yre h ALA 77 Ca 0.36 0.02 0.53 0.00 0.00 0.00 0.00 54.91 55.82 2yre h ALA 77 Cb 0.56 1.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2yre h ALA 77 CO -0.82 -0.49 1.33 -1.91 0.00 0.00 0.00 179.25 177.36 2yre n GLU 78 N -3.84 0.00 -0.00 0.00 0.00 0.05 0.24 120.64 117.08 2yre n GLU 78 Ca -0.00 1.01 -0.17 0.00 0.00 0.00 0.00 57.16 58.01 2yre n GLU 78 Cb 0.12 -2.35 -0.14 0.00 0.00 0.00 0.00 31.44 29.07 2yre n GLU 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2yre n HIS 79 N -3.76 1.17 -0.17 4.31 -0.00 0.21 -4.25 115.22 112.72 2yre n HIS 79 Ca 0.41 0.30 -0.02 0.00 0.46 0.00 0.00 57.72 58.87 2yre n HIS 79 Cb 1.88 -1.17 0.05 0.00 -0.12 0.00 0.00 29.99 30.62 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 0.05 -0.44 -1.45 0.27 3.38 0.75 1.58 115.31 119.44 2yre h LEU 80 Ca -0.37 0.16 0.16 0.00 0.09 0.00 0.00 57.88 57.92 2yre h LEU 80 Cb 2.03 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 43.03 2yre h LEU 80 CO 0.09 -0.16 0.56 1.05 0.09 0.00 0.00 178.44 180.06 2yre h GLU 81 N 0.02 0.50 -0.43 1.13 4.11 -1.63 0.13 114.58 118.41 2yre h GLU 81 Ca 0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2yre h GLU 81 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2yre h GLU 81 CO -0.53 0.33 0.00 0.00 0.07 0.00 0.00 179.01 178.87 2yre n MET 82 N -4.52 3.10 -2.70 1.06 0.00 0.60 -4.88 117.12 109.78 2yre n MET 82 Ca 0.17 -2.50 -0.41 0.00 0.00 0.00 0.00 57.70 54.96 2yre n MET 82 Cb 0.56 -1.59 -0.04 0.00 0.00 0.00 0.00 33.22 32.15 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 5.39 -0.06 -0.15 0.00 0.13 -1.87 -3.11 132.00 132.33 2yre h PRO 84 Ca -0.43 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2yre h PRO 84 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2yre h PRO 84 CO 0.72 0.41 0.16 0.00 -0.23 0.00 0.00 178.00 179.05 2yre h ALA 85 N 0.37 1.78 0.00 -0.56 0.00 -1.93 0.23 119.26 119.14 2yre h ALA 85 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yre h ALA 85 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yre h ALA 85 CO 0.01 -0.24 0.00 0.43 0.00 0.00 0.00 179.25 179.45 2yre n SER 86 N -3.85 0.30 -3.48 0.00 7.64 -1.17 -4.87 113.62 108.19 2yre n SER 86 Ca 0.01 0.57 -0.20 0.00 1.01 0.00 0.00 58.87 60.25 2yre n SER 86 Cb 0.28 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.83 -0.41 -3.61 0.44 0.24 0.80 -4.84 118.33 109.12 2yre n VAL 87 Ca 0.03 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.73 2yre n VAL 87 Cb 0.23 -0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.37 5.69 0.00 -1.34 0.15 -1.26 -4.96 113.70 108.61 2yre s SER 88 Ca 0.14 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2yre s SER 88 Cb -0.08 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2yre s SER 88 CO 0.59 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2yre n GLY 89 N 5.00 1.44 3.76 9.45 0.00 -1.26 -4.96 105.19 118.61 2yre n GLY 89 Ca -0.12 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.50 2.09 0.08 1.61 0.04 -1.26 -5.07 135.00 127.99 2yre s PRO 90 Ca 0.00 1.12 0.09 0.00 0.04 0.00 0.00 61.00 62.25 2yre s PRO 90 Cb 0.00 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2yre s PRO 90 CO 0.00 -1.75 -0.24 -1.54 0.04 0.00 0.00 177.00 173.51 2yre s SER 91 N -3.39 3.41 -0.95 6.66 1.04 -1.26 -5.07 113.70 114.15 2yre s SER 91 Ca 0.62 -0.61 -0.24 0.00 0.48 0.00 0.00 55.95 56.19 2yre s SER 91 Cb -0.17 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.62 2yre s SER 91 CO 0.56 0.22 1.53 -0.55 0.98 0.00 0.00 173.24 175.98 2yre s SER 92 N -1.65 6.18 0.00 7.02 0.15 -1.26 -5.32 113.70 118.82 2yre s SER 92 Ca 0.14 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2yre s SER 92 Cb -0.10 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2yre s SER 92 CO 0.05 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 173.30