#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 2.11 0.04 1.61 1.04 -1.26 -5.16 113.70 112.08 2yre s SER -5 Ca 0.00 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.16 2yre s SER -5 Cb 0.00 -0.06 0.10 0.00 0.10 0.00 0.00 66.02 66.15 2yre s SER -5 CO 0.00 -0.25 1.13 -0.55 0.98 0.00 0.00 173.24 174.55 2yre s SER -4 N -3.13 -0.13 0.00 7.02 0.15 -1.26 -5.18 113.70 111.17 2yre s SER -4 Ca 0.18 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2yre s SER -4 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2yre s SER -4 CO 0.03 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2yre n GLY -3 N -0.43 4.41 3.55 9.45 0.00 -1.26 -5.18 105.19 115.73 2yre n GLY -3 Ca -0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2yre n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yre s SER -2 N 0.00 -0.54 0.07 1.61 0.15 -1.26 -5.18 113.70 108.55 2yre s SER -2 Ca 0.00 0.61 -0.27 0.00 0.70 0.00 0.00 55.95 56.99 2yre s SER -2 Cb 0.00 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 2yre s SER -2 CO 0.00 -0.48 1.07 -0.55 1.20 0.00 0.00 173.24 174.48 2yre s SER -1 N -1.09 -0.15 0.00 5.45 0.15 -1.26 -5.19 113.70 111.61 2yre s SER -1 Ca -0.07 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2yre s SER -1 Cb -0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2yre s SER -1 CO 0.06 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2yre n GLY 0 N -0.45 -0.84 3.19 9.45 0.00 -1.26 -5.18 105.19 110.11 2yre n GLY 0 Ca -0.07 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2yre n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yre s MET 1 N -2.00 0.85 -0.06 1.61 0.00 -1.26 -5.16 119.30 113.28 2yre s MET 1 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 55.69 54.55 2yre s MET 1 Cb 0.00 0.31 0.04 0.00 0.00 0.00 0.00 34.83 35.18 2yre s MET 1 CO 0.00 -0.26 0.12 -1.83 0.00 0.00 0.00 175.02 173.05 2yre s GLU 2 N -3.91 0.00 -0.09 3.16 -1.05 -1.26 -5.15 118.70 110.40 2yre s GLU 2 Ca 0.10 0.44 -0.15 0.00 -0.15 0.00 0.00 54.97 55.21 2yre s GLU 2 Cb 0.06 -0.32 0.03 0.00 -0.44 0.00 0.00 34.13 33.46 2yre s GLU 2 CO -0.07 -0.28 0.38 -1.21 0.95 0.00 0.00 175.26 175.02 2yre s GLU 3 N 1.97 0.56 -0.19 -4.83 2.02 -1.26 -5.15 118.70 111.82 2yre s GLU 3 Ca 0.01 0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.24 2yre s GLU 3 Cb -0.12 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.36 2yre s GLU 3 CO -0.05 -0.11 -0.08 -2.00 0.02 0.00 0.00 175.26 173.04 2yre s GLU 4 N -0.40 3.34 1.22 1.61 2.12 -1.26 -5.12 118.70 120.21 2yre s GLU 4 Ca -0.05 -0.66 -0.20 0.00 0.36 0.00 0.00 54.97 54.41 2yre s GLU 4 Cb -0.03 -2.86 0.30 0.00 0.26 0.00 0.00 34.13 31.80 2yre s GLU 4 CO 0.02 -0.08 1.14 -0.48 -0.54 0.00 0.00 175.26 175.32 2yre s LEU 5 N 1.13 0.77 -0.05 2.70 0.05 -1.26 -5.05 118.68 116.98 2yre s LEU 5 Ca 0.01 0.46 -0.03 0.00 0.05 0.00 0.00 54.13 54.62 2yre s LEU 5 Cb -0.14 -2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 41.83 2yre s LEU 5 CO -0.02 -4.18 0.11 0.00 -0.55 0.00 0.00 176.35 171.71 2yre s GLN 6 N -5.57 3.24 -0.12 1.48 -2.07 -1.26 -5.06 119.66 110.30 2yre s GLN 6 Ca 0.73 -0.34 -0.29 0.00 -1.82 0.00 0.00 55.36 53.63 2yre s GLN 6 Cb -0.07 -2.99 -0.03 0.00 -1.09 0.00 0.00 33.01 28.83 2yre s GLN 6 CO 0.55 0.70 1.45 -1.01 -1.32 0.00 0.00 175.29 175.66 2yre s HIS 7 N -1.14 2.43 0.45 9.60 3.76 -1.26 -4.89 115.29 124.24 2yre s HIS 7 Ca 0.21 0.63 0.10 0.00 -0.15 0.00 0.00 55.06 55.85 2yre s HIS 7 Cb -0.12 -3.71 1.00 0.00 1.11 0.00 0.00 32.58 30.85 2yre s HIS 7 CO 0.11 -2.68 2.09 0.77 -0.85 0.00 0.00 174.74 174.18 2yre h SER 8 N 8.93 0.31 0.07 1.40 0.02 -1.70 -0.94 113.55 121.64 2yre h SER 8 Ca -0.32 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2yre h SER 8 Cb 1.14 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2yre h SER 8 CO 0.97 0.23 -0.03 -0.74 -1.14 0.00 0.00 176.83 176.11 2yre h HIS 9 N 0.36 -0.09 -0.56 3.45 -0.00 -1.68 -3.18 115.15 113.46 2yre h HIS 9 Ca 0.10 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 2yre h HIS 9 Cb -0.04 0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 27.30 2yre h HIS 9 CO 0.00 -0.05 -0.41 0.00 -0.00 0.00 0.00 177.93 177.47 2yre h VAL 11 N -0.22 0.36 -0.59 0.00 -1.51 -1.33 0.56 116.25 113.52 2yre h VAL 11 Ca 0.19 -0.04 -0.40 0.00 -1.23 0.00 0.00 66.70 65.22 2yre h VAL 11 Cb 0.56 0.25 -0.26 0.00 -2.13 0.00 0.00 31.29 29.71 2yre h VAL 11 CO -0.67 0.02 -0.25 0.59 -1.23 0.00 0.00 177.57 176.03 2yre n ASN 12 N -4.33 4.26 -3.93 4.19 3.02 0.17 -4.94 115.26 113.72 2yre n ASN 12 Ca 0.29 -3.79 -0.30 0.00 -0.03 0.00 0.00 54.58 50.75 2yre n ASN 12 Cb 1.25 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 39.70 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 4.70 1.51 -1.67 0.00 0.24 -1.26 -4.92 118.33 116.94 2yre n VAL 14 Ca -0.12 -0.57 -0.59 0.00 -2.04 0.00 0.00 64.34 61.02 2yre n VAL 14 Cb 0.44 -1.46 -0.08 0.00 -1.47 0.00 0.00 33.84 31.27 2yre n VAL 14 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yre n SER 15 N -3.32 1.62 -0.02 -1.34 7.64 -1.26 -4.86 113.62 112.07 2yre n SER 15 Ca -0.45 1.12 -0.16 0.00 1.01 0.00 0.00 58.87 60.39 2yre n SER 15 Cb 0.99 -1.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 2yre n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2yre h ARG 16 N 5.55 0.59 -1.86 1.43 2.47 -1.93 -3.21 114.38 117.42 2yre h ARG 16 Ca -0.47 -0.49 -0.08 0.00 -1.26 0.00 0.00 59.98 57.69 2yre h ARG 16 Cb 1.35 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.74 2yre h ARG 16 CO 0.89 1.11 0.10 0.54 0.56 0.00 0.00 179.97 183.16 2yre n ARG 17 N -4.15 1.19 -2.36 0.04 3.00 -1.26 -4.65 116.66 108.46 2yre n ARG 17 Ca -0.08 -0.37 -0.41 0.00 -0.01 0.00 0.00 57.85 56.98 2yre n ARG 17 Cb 0.64 -1.14 -0.03 0.00 0.00 0.00 0.00 32.46 31.93 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 2.55 2.42 -3.05 0.00 2.81 -1.26 -4.94 117.12 115.65 2yre n MET 19 Ca 0.05 -3.86 -0.39 0.00 -1.81 0.00 0.00 57.70 51.68 2yre n MET 19 Cb 0.45 -1.82 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 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 -4.28 4.57 -0.11 2.03 2.01 -1.26 -4.98 115.64 113.62 2yre s THR 20 Ca 0.38 1.57 -0.35 0.00 0.31 0.00 0.00 61.69 63.59 2yre s THR 20 Cb 0.41 -4.08 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 2yre s THR 20 CO -0.05 0.48 1.83 0.54 -0.69 0.00 0.00 174.62 176.73 2yre n ARG 21 N 2.03 1.95 -2.07 4.92 1.74 -1.26 -4.86 116.66 119.11 2yre n ARG 21 Ca -0.06 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.33 2yre n ARG 21 Cb 0.50 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yre s PRO 22 N 3.74 3.05 0.32 5.56 0.04 -1.26 -4.52 135.00 141.93 2yre s PRO 22 Ca 0.93 0.99 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2yre s PRO 22 Cb -0.77 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.49 2yre s PRO 22 CO 0.54 -2.21 0.47 -1.21 0.04 0.00 0.00 177.00 174.63 2yre s GLU 23 N 6.17 3.29 0.00 4.56 0.41 0.70 -4.83 118.70 129.00 2yre s GLU 23 Ca 0.71 -0.74 0.07 0.00 -0.41 0.00 0.00 54.97 54.60 2yre s GLU 23 Cb -0.17 -2.79 0.40 0.00 -1.78 0.00 0.00 34.13 29.80 2yre s GLU 23 CO 0.28 0.17 0.86 -0.35 -0.49 0.00 0.00 175.26 175.72 2yre n PRO 24 N -1.64 0.49 0.21 0.39 -0.04 -1.26 -4.07 135.00 129.07 2yre n PRO 24 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2yre n PRO 24 Cb 0.57 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.34 0.00 0.55 0.00 -1.26 -5.02 105.19 98.10 2yre n GLY 25 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.43 0.00 -4.38 -0.61 -0.00 -1.26 -4.12 119.36 105.56 2yre n ILE 26 Ca 0.00 1.20 -0.19 0.00 -0.00 0.00 0.00 62.75 63.76 2yre n ILE 26 Cb 0.00 -1.93 -0.10 0.00 -0.00 0.00 0.00 39.64 37.61 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 -2.55 2.23 0.36 4.38 1.04 -1.26 -1.94 113.70 115.96 2yre s SER 27 Ca 0.00 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.24 2yre s SER 27 Cb 0.00 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.00 2yre s SER 27 CO 0.00 -0.47 0.06 0.00 0.98 0.00 0.00 173.24 173.81 2yre s ASP 29 N -3.56 6.53 0.26 0.00 1.01 -1.26 -4.60 116.67 115.04 2yre s ASP 29 Ca 0.33 2.87 -0.17 0.00 0.71 0.00 0.00 52.55 56.29 2yre s ASP 29 Cb 0.08 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2yre s ASP 29 CO 0.15 -0.75 0.71 -0.76 0.21 0.00 0.00 175.17 174.73 2yre s LEU 30 N -1.56 4.22 -0.00 1.23 1.43 -1.26 -2.94 118.68 119.80 2yre s LEU 30 Ca 0.54 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2yre s LEU 30 Cb -0.44 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2yre s LEU 30 CO 0.55 -0.06 -0.00 0.27 0.23 0.00 0.00 176.35 177.34 2yre s ILE 31 N -1.71 0.07 0.26 -0.59 -5.25 -0.92 -4.83 121.20 108.23 2yre s ILE 31 Ca 0.47 -0.01 -0.30 0.00 -0.99 0.00 0.00 60.65 59.83 2yre s ILE 31 Cb -0.14 -0.09 -0.09 0.00 2.95 0.00 0.00 42.46 45.09 2yre s ILE 31 CO 0.19 0.04 1.02 -0.83 -1.79 0.00 0.00 174.94 173.57 2yre s GLY 32 N 0.17 3.09 0.07 6.27 0.00 -1.26 -2.96 107.32 112.70 2yre s GLY 32 Ca -0.01 0.76 -0.33 0.00 0.00 0.00 0.00 44.72 45.13 2yre s GLY 32 CO -0.00 1.35 0.80 0.00 0.00 0.00 0.00 173.10 175.25 2yre n PRO 34 N 1.23 0.11 -0.43 0.00 -0.04 -1.26 -2.10 135.00 132.51 2yre n PRO 34 Ca 0.18 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 2yre n PRO 34 Cb 0.14 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.39 3.82 -3.66 1.53 4.77 -1.26 -4.95 117.00 115.87 2yre n LEU 35 Ca 0.05 -3.03 -0.26 0.00 -0.03 0.00 0.00 56.01 52.75 2yre n LEU 35 Cb 0.14 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2yre n LEU 35 CO 0.12 0.68 -0.07 1.33 -1.33 0.00 0.00 177.39 178.12 2yre n VAL 36 N -0.56 -0.39 0.25 4.08 0.24 -0.89 -4.77 118.33 116.30 2yre n VAL 36 Ca 0.21 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.61 2yre n VAL 36 Cb 0.88 -0.89 0.66 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.13 0.93 3.20 0.00 0.00 -1.26 -5.03 105.19 101.89 2yre n GLY 38 Ca -0.03 0.00 -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 -1.81 -0.85 -0.30 4.61 0.00 -1.26 -5.09 121.76 117.07 2yre s ALA 39 Ca 0.00 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 2yre s ALA 39 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2yre s ALA 39 CO 0.00 -0.20 0.14 0.08 0.00 0.00 0.00 175.76 175.78 2yre s VAL 40 N 0.84 4.62 0.07 0.00 1.01 -1.26 -2.34 120.40 123.34 2yre s VAL 40 Ca -0.05 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2yre s VAL 40 Cb -0.06 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2yre s VAL 40 CO -0.06 0.14 -0.09 0.72 0.00 0.00 0.00 175.10 175.80 2yre s PHE 41 N 1.63 0.88 0.24 5.22 -0.71 -1.15 -4.51 117.98 119.59 2yre s PHE 41 Ca 0.05 -0.61 -0.31 0.00 -1.04 0.00 0.00 56.93 55.01 2yre s PHE 41 Cb -0.17 -0.51 -0.12 0.00 -1.21 0.00 0.00 43.02 41.02 2yre s PHE 41 CO 0.06 -0.06 1.65 0.72 -1.34 0.00 0.00 175.22 176.26 2yre n HIS 42 N 0.91 2.76 -0.30 3.49 8.25 -1.26 -2.16 115.22 126.91 2yre n HIS 42 Ca -0.19 0.16 0.22 0.00 -0.26 0.00 0.00 57.72 57.65 2yre n HIS 42 Cb 0.57 -2.63 0.42 0.00 1.12 0.00 0.00 29.99 29.47 2yre n HIS 42 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2yre n SER 43 N 3.08 0.14 -0.23 0.41 3.41 -1.15 0.23 113.62 119.51 2yre n SER 43 Ca 0.13 1.50 -0.09 0.00 -0.26 0.00 0.00 58.87 60.15 2yre n SER 43 Cb 0.35 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.01 0.35 -0.62 0.00 1.79 0.26 -3.25 116.57 116.11 2yre h LYS 45 Ca 0.19 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 2yre h LYS 45 Cb 0.50 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 2yre h LYS 45 CO 0.02 0.55 -0.36 0.00 -1.08 0.00 0.00 179.45 178.58 2yre n ALA 46 N -2.48 -0.40 -0.22 3.86 0.00 -0.14 0.56 120.51 121.69 2yre n ALA 46 Ca -0.00 0.52 0.21 0.00 0.00 0.00 0.00 53.44 54.17 2yre n ALA 46 Cb 0.35 0.08 0.39 0.00 0.00 0.00 0.00 19.45 20.28 2yre n ALA 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yre n ASP 47 N -4.40 0.21 -0.07 0.00 5.68 -1.23 0.70 116.55 117.44 2yre n ASP 47 Ca 0.01 1.16 -0.18 0.00 -0.50 0.00 0.00 54.79 55.28 2yre n ASP 47 Cb 0.16 -0.55 -0.13 0.00 -1.14 0.00 0.00 41.12 39.46 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2yre h GLU 48 N 0.00 0.04 -0.33 0.11 5.08 -0.09 -3.37 114.58 116.02 2yre h GLU 48 Ca 0.57 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.94 2yre h GLU 48 Cb 1.49 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.69 2yre h GLU 48 CO -0.55 1.03 -0.25 1.25 -1.00 0.00 0.00 179.01 179.50 2yre h HIS 49 N -0.89 -0.66 -1.19 4.33 2.76 0.36 0.19 115.15 120.05 2yre h HIS 49 Ca -0.17 0.04 0.40 0.00 -2.20 0.00 0.00 60.37 58.45 2yre h HIS 49 Cb 1.23 0.34 -0.14 0.00 1.55 0.00 0.00 27.41 30.39 2yre h HIS 49 CO 0.19 -0.32 0.73 0.07 -1.30 0.00 0.00 177.93 177.30 2yre h ARG 50 N -0.21 0.12 -0.25 5.26 0.11 -0.60 0.72 114.38 119.52 2yre h ARG 50 Ca 0.16 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.24 2yre h ARG 50 Cb 0.47 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2yre h ARG 50 CO -0.45 0.08 0.15 -0.07 0.10 0.00 0.00 179.97 179.78 2yre h LEU 51 N 0.13 0.26 0.02 0.08 3.38 -1.11 -3.26 115.31 114.81 2yre h LEU 51 Ca 0.80 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.77 2yre h LEU 51 Cb 2.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.00 2yre h LEU 51 CO -0.52 0.19 -0.01 -0.07 0.09 0.00 0.00 178.44 178.12 2yre h LEU 52 N 0.32 -0.03 -4.34 1.67 3.38 0.19 -3.47 115.31 113.03 2yre h LEU 52 Ca 0.10 -0.56 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 2yre h LEU 52 Cb -0.01 0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2yre h LEU 52 CO -0.04 0.73 0.03 0.00 0.09 0.00 0.00 178.44 179.25 2yre h PRO 54 N 1.46 -0.05 -1.73 0.00 0.13 -1.90 -3.12 132.00 126.79 2yre h PRO 54 Ca -0.25 0.00 0.50 0.00 -0.87 0.00 0.00 66.00 65.39 2yre h PRO 54 Cb 0.69 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 2yre h PRO 54 CO 0.32 0.42 1.24 0.74 -0.23 0.00 0.00 178.00 180.49 2yre h PHE 55 N -0.54 0.00 -2.71 1.56 -1.00 -1.94 0.60 116.94 112.91 2yre h PHE 55 Ca -0.00 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.19 2yre h PHE 55 Cb 0.49 0.00 0.09 0.00 3.61 0.00 0.00 35.95 40.14 2yre h PHE 55 CO 0.09 0.00 0.53 -1.91 -1.61 0.00 0.00 178.31 175.41 2yre n GLU 56 N -4.01 1.92 -1.89 1.51 2.13 -1.18 -4.48 120.64 114.65 2yre n GLU 56 Ca 0.38 0.68 -0.42 0.00 0.66 0.00 0.00 57.16 58.47 2yre n GLU 56 Cb 1.77 -2.29 -0.03 0.00 0.27 0.00 0.00 31.44 31.16 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2yre s ARG 57 N -0.75 4.19 0.01 5.31 3.52 -1.26 -3.60 118.95 126.37 2yre s ARG 57 Ca 0.66 2.40 0.01 0.00 -0.13 0.00 0.00 55.73 58.66 2yre s ARG 57 Cb -0.66 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.28 2yre s ARG 57 CO 0.53 -0.72 -0.04 0.14 -0.81 0.00 0.00 175.30 174.40 2yre s VAL 58 N 2.16 0.26 0.43 7.11 -7.23 0.91 -4.95 120.40 119.09 2yre s VAL 58 Ca 0.74 -0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 60.18 2yre s VAL 58 Cb -0.42 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.15 2yre s VAL 58 CO 0.33 -0.15 1.18 -2.16 -0.31 0.00 0.00 175.10 173.99 2yre s PRO 59 N -0.67 3.91 0.06 4.82 0.04 -1.26 -2.29 135.00 139.60 2yre s PRO 59 Ca -0.05 1.84 -0.38 0.00 0.04 0.00 0.00 61.00 62.45 2yre s PRO 59 Cb -0.05 -2.56 -0.18 0.00 0.04 0.00 0.00 34.50 31.75 2yre s PRO 59 CO -0.00 -0.44 1.21 0.00 0.04 0.00 0.00 177.00 177.81 2yre h LEU 61 N 3.84 0.30 -3.33 0.00 3.38 -1.94 0.95 115.31 118.50 2yre h LEU 61 Ca -0.49 0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 2yre h LEU 61 Cb 1.38 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 42.22 2yre h LEU 61 CO 0.72 -0.30 0.31 0.59 0.09 0.00 0.00 178.44 179.85 2yre n ASN 62 N -4.98 6.09 -0.30 -0.43 3.02 -1.26 -4.50 115.26 112.90 2yre n ASN 62 Ca 0.37 -2.89 -0.01 0.00 -0.03 0.00 0.00 54.58 52.02 2yre n ASN 62 Cb 1.34 -1.06 0.11 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.32 0.87 -0.95 6.41 4.64 0.65 -2.12 113.55 124.37 2yre h SER 63 Ca 0.22 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.80 2yre h SER 63 Cb 0.96 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.72 2yre h SER 63 CO 0.56 0.59 0.44 -2.24 -0.87 0.00 0.00 176.83 175.31 2yre h ASP 64 N 1.01 0.35 -0.70 4.97 2.03 -1.84 0.60 116.42 122.84 2yre h ASP 64 Ca 0.34 0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.81 2yre h ASP 64 Cb 0.04 0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 38.67 2yre h ASP 64 CO -0.13 -0.08 0.43 -0.26 -1.03 0.00 0.00 179.24 178.17 2yre h PHE 65 N 0.34 0.92 0.00 4.15 -1.00 -1.75 -3.46 116.94 116.14 2yre h PHE 65 Ca 0.63 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.42 2yre h PHE 65 Cb 1.32 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.58 2yre h PHE 65 CO -0.11 0.61 0.00 0.41 -1.61 0.00 0.00 178.31 177.61 2yre n GLY 66 N -1.32 1.72 3.61 -1.45 0.00 0.21 -5.09 105.19 102.87 2yre n GLY 66 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 8.84 0.00 -6.42 0.00 0.13 -1.95 -3.41 132.00 129.18 2yre h PRO 68 Ca -0.22 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.29 2yre h PRO 68 Cb 1.06 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.30 2yre h PRO 68 CO 1.09 0.22 0.08 1.19 -0.23 0.00 0.00 178.00 180.36 2yre n PHE 69 N -3.49 1.12 -3.70 1.56 3.72 -1.26 -4.93 117.46 110.47 2yre n PHE 69 Ca -0.01 0.73 -0.15 0.00 -0.05 0.00 0.00 57.45 57.97 2yre n PHE 69 Cb 0.39 -2.23 -0.15 0.00 -0.94 0.00 0.00 39.48 36.56 2yre n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2yre s THR 70 N -0.99 -0.18 0.32 4.37 -4.23 -1.26 -3.07 115.64 110.59 2yre s THR 70 Ca 0.60 0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 2yre s THR 70 Cb -0.73 -0.30 0.03 0.00 1.34 0.00 0.00 72.50 72.84 2yre s THR 70 CO 0.59 0.11 0.57 1.15 -0.54 0.00 0.00 174.62 176.50 2yre n MET 71 N 4.81 0.82 -0.61 3.99 0.00 -0.97 -4.92 117.12 120.25 2yre n MET 71 Ca -0.15 -2.07 -0.28 0.00 0.00 0.00 0.00 57.70 55.20 2yre n MET 71 Cb 0.51 2.32 0.25 0.00 0.00 0.00 0.00 33.22 36.30 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 -2.17 -0.41 0.08 3.17 0.00 -1.26 -0.06 121.76 121.11 2yre s ALA 72 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 2yre s ALA 72 Cb -0.03 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 2yre s ALA 72 CO 0.13 -3.80 1.17 -0.09 0.00 0.00 0.00 175.76 173.17 2yre h ARG 73 N -2.59 0.37 -0.20 0.00 9.65 -0.93 -0.02 114.38 120.66 2yre h ARG 73 Ca -0.61 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 57.72 2yre h ARG 73 Cb 1.34 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 2yre h ARG 73 CO 0.51 1.23 0.00 0.27 2.80 0.00 0.00 179.97 184.78 2yre n ASN 74 N -3.63 1.40 0.00 -3.80 0.23 -1.26 -3.78 115.26 104.42 2yre n ASN 74 Ca -0.09 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 2yre n ASN 74 Cb 0.98 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.55 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2yre n LYS 75 N 0.19 2.92 0.28 -3.83 4.76 -1.20 -4.68 118.16 116.60 2yre n LYS 75 Ca 0.13 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 2yre n LYS 75 Cb 0.26 -0.93 0.79 0.00 -1.84 0.00 0.00 35.03 33.31 2yre n LYS 75 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2yre h VAL 76 N 0.00 0.69 -0.62 -0.18 3.04 -1.08 -2.56 116.25 115.53 2yre h VAL 76 Ca 0.00 -0.17 0.10 0.00 -1.01 0.00 0.00 66.70 65.61 2yre h VAL 76 Cb 0.69 1.10 -0.07 0.00 -2.01 0.00 0.00 31.29 31.00 2yre h VAL 76 CO 0.00 0.04 0.23 0.00 -1.01 0.00 0.00 177.57 176.84 2yre h ALA 77 N 1.96 0.80 -0.35 3.17 0.00 -1.83 0.29 119.26 123.29 2yre h ALA 77 Ca -0.00 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2yre h ALA 77 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2yre h ALA 77 CO 0.01 -0.19 -0.01 1.49 0.00 0.00 0.00 179.25 180.54 2yre h GLU 78 N 0.41 0.56 -0.30 0.00 4.22 -1.79 -2.63 114.58 115.06 2yre h GLU 78 Ca 0.31 -0.13 -0.14 0.00 0.08 0.00 0.00 59.36 59.49 2yre h GLU 78 Cb 0.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2yre h GLU 78 CO -0.31 0.60 -0.38 1.25 -2.18 0.00 0.00 179.01 177.98 2yre h HIS 79 N 0.53 0.83 -0.17 0.92 2.76 -1.17 -2.90 115.15 115.95 2yre h HIS 79 Ca 0.11 -0.24 0.03 0.00 -2.20 0.00 0.00 60.37 58.07 2yre h HIS 79 Cb 0.37 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2yre h HIS 79 CO 0.01 0.98 0.12 -0.07 -1.30 0.00 0.00 177.93 177.67 2yre h LEU 80 N 0.58 0.09 -0.97 0.26 3.38 -0.63 1.63 115.31 119.64 2yre h LEU 80 Ca 0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2yre h LEU 80 Cb 0.91 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2yre h LEU 80 CO 0.08 0.06 0.00 -0.33 0.09 0.00 0.00 178.44 178.34 2yre h GLU 81 N 0.10 0.75 -0.01 1.13 4.39 -1.43 -2.94 114.58 116.57 2yre h GLU 81 Ca 0.07 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2yre h GLU 81 Cb 0.17 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2yre h GLU 81 CO -0.01 0.76 -0.26 0.00 -1.16 0.00 0.00 179.01 178.34 2yre n MET 82 N -4.22 1.61 -1.89 2.33 0.00 -0.48 -4.84 117.12 109.62 2yre n MET 82 Ca 0.02 -0.95 -0.41 0.00 0.00 0.00 0.00 57.70 56.36 2yre n MET 82 Cb 0.29 -1.28 -0.02 0.00 0.00 0.00 0.00 33.22 32.21 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 4.66 0.62 -0.08 0.00 0.13 -1.88 -3.09 132.00 132.35 2yre h PRO 84 Ca -0.47 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 2yre h PRO 84 Cb 1.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2yre h PRO 84 CO 0.76 0.92 0.01 0.00 -0.23 0.00 0.00 178.00 179.46 2yre h ALA 85 N 0.68 1.87 0.00 -0.56 0.00 -1.94 -0.49 119.26 118.83 2yre h ALA 85 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yre h ALA 85 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2yre h ALA 85 CO 0.06 0.10 0.00 0.45 0.00 0.00 0.00 179.25 179.87 2yre n SER 86 N -4.48 0.56 -3.67 0.00 2.88 -1.17 -4.84 113.62 102.91 2yre n SER 86 Ca -0.02 0.69 -0.23 0.00 -1.33 0.00 0.00 58.87 57.99 2yre n SER 86 Cb 0.12 -0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 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 -2.18 -0.50 -3.74 2.46 0.24 -0.19 -4.85 118.33 109.56 2yre n VAL 87 Ca 0.01 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 2yre n VAL 87 Cb 0.13 -0.58 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 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 -3.57 3.78 0.00 -1.34 1.04 -1.26 -5.07 113.70 107.27 2yre s SER 88 Ca 0.14 -2.54 0.00 0.00 0.48 0.00 0.00 55.95 54.03 2yre s SER 88 Cb -0.08 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2yre s SER 88 CO 0.67 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2yre n GLY 89 N 3.67 2.23 0.00 7.32 0.00 -1.26 -4.86 105.19 112.29 2yre n GLY 89 Ca 0.07 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.43 2yre n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yre n PRO 90 N -0.60 0.14 -0.34 1.61 -0.04 -1.26 -3.67 135.00 130.84 2yre n PRO 90 Ca 0.00 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2yre n PRO 90 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2yre n PRO 90 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2yre h SER 91 N 0.00 -1.34 0.00 3.54 0.02 -2.01 -3.28 113.55 110.48 2yre h SER 91 Ca 0.00 0.29 -0.27 0.00 -0.84 0.00 0.00 61.79 60.97 2yre h SER 91 Cb 0.17 0.70 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2yre h SER 91 CO 0.00 -0.29 -1.84 -0.24 -1.14 0.00 0.00 176.83 173.31 2yre n SER 92 N -5.47 1.39 0.00 3.07 2.88 -1.25 -5.26 113.62 108.98 2yre n SER 92 Ca 0.09 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2yre n SER 92 Cb 0.39 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42