#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 0.16 0.23 1.61 0.01 -1.26 -5.18 113.70 109.27 2yre s SER -5 Ca 0.00 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.00 2yre s SER -5 Cb 0.00 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2yre s SER -5 CO 0.00 -0.96 0.16 -0.44 0.41 0.00 0.00 173.24 172.41 2yre s SER -4 N -3.13 0.49 -0.16 2.44 0.01 -1.26 -5.17 113.70 106.93 2yre s SER -4 Ca 0.34 -1.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.05 2yre s SER -4 Cb 0.04 0.40 0.06 0.00 0.21 0.00 0.00 66.02 66.73 2yre s SER -4 CO 0.12 -0.88 0.37 -0.83 0.41 0.00 0.00 173.24 172.44 2yre s GLY -3 N -3.21 -0.28 0.03 3.44 0.00 -1.26 -5.16 107.32 100.87 2yre s GLY -3 Ca 0.39 1.41 0.03 0.00 0.00 0.00 0.00 44.72 46.55 2yre s GLY -3 CO 0.15 1.58 -0.09 -0.56 0.00 0.00 0.00 173.10 174.19 2yre s SER -2 N 1.36 1.01 0.18 1.64 0.01 -1.26 -5.16 113.70 111.49 2yre s SER -2 Ca -0.09 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.86 2yre s SER -2 Cb -0.09 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2yre s SER -2 CO -0.12 -0.05 -0.15 -0.55 0.41 0.00 0.00 173.24 172.78 2yre s SER -1 N -1.00 2.44 -0.05 2.44 0.15 -1.26 -5.16 113.70 111.26 2yre s SER -1 Ca -0.03 -0.96 -0.20 0.00 0.70 0.00 0.00 55.95 55.46 2yre s SER -1 Cb -0.07 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2yre s SER -1 CO 0.00 -0.16 0.45 -0.83 1.20 0.00 0.00 173.24 173.90 2yre s GLY 0 N -3.08 -0.31 -0.09 9.45 0.00 -1.26 -5.17 107.32 106.86 2yre s GLY 0 Ca 0.19 0.76 -0.32 0.00 0.00 0.00 0.00 44.72 45.36 2yre s GLY 0 CO 0.06 0.51 1.03 -3.16 0.00 0.00 0.00 173.10 171.54 2yre s MET 1 N -1.09 0.59 -1.10 2.90 0.00 -1.26 -5.09 119.30 114.25 2yre s MET 1 Ca -0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 55.69 55.23 2yre s MET 1 Cb -0.03 0.27 0.16 0.00 0.00 0.00 0.00 34.83 35.23 2yre s MET 1 CO 0.06 -0.25 1.30 -1.21 0.00 0.00 0.00 175.02 174.91 2yre s GLU 2 N -2.70 3.93 -0.24 3.16 0.41 -1.26 -4.91 118.70 117.09 2yre s GLU 2 Ca 0.07 -2.35 -0.03 0.00 -0.41 0.00 0.00 54.97 52.25 2yre s GLU 2 Cb -0.01 -4.97 0.12 0.00 -1.78 0.00 0.00 34.13 27.49 2yre s GLU 2 CO -0.07 -1.73 0.31 -1.21 -0.49 0.00 0.00 175.26 172.08 2yre s GLU 3 N 1.75 0.29 -0.08 1.61 0.41 -1.26 -5.14 118.70 116.27 2yre s GLU 3 Ca 0.38 0.31 0.04 0.00 -0.41 0.00 0.00 54.97 55.29 2yre s GLU 3 Cb -0.04 -0.77 -0.01 0.00 -1.78 0.00 0.00 34.13 31.53 2yre s GLU 3 CO -0.04 -0.71 -0.21 -2.00 -0.49 0.00 0.00 175.26 171.82 2yre s GLU 4 N 2.44 2.87 0.97 1.61 2.12 -1.26 -5.13 118.70 122.32 2yre s GLU 4 Ca 0.10 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.44 2yre s GLU 4 Cb -0.15 -2.33 0.24 0.00 0.26 0.00 0.00 34.13 32.15 2yre s GLU 4 CO -0.17 0.32 0.86 1.47 -0.54 0.00 0.00 175.26 177.20 2yre n LEU 5 N 3.15 0.00 -4.74 2.70 -0.00 -1.26 -5.09 117.00 111.77 2yre n LEU 5 Ca -0.18 -0.91 -0.30 0.00 -0.00 0.00 0.00 56.01 54.62 2yre n LEU 5 Cb 0.52 -0.79 -0.08 0.00 -0.00 0.00 0.00 43.42 43.07 2yre n LEU 5 CO 0.27 -1.93 -0.23 -1.10 -0.00 0.00 0.00 177.39 174.41 2yre s GLN 6 N -4.95 2.14 -0.31 1.47 -0.21 -1.26 -5.12 119.66 111.42 2yre s GLN 6 Ca 0.56 -2.23 -0.09 0.00 0.02 0.00 0.00 55.36 53.62 2yre s GLN 6 Cb -0.06 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2yre s GLN 6 CO 0.43 -0.28 0.14 -1.01 -2.12 0.00 0.00 175.29 172.45 2yre s HIS 7 N -2.79 3.18 0.10 0.91 3.76 -1.26 -4.84 115.29 114.34 2yre s HIS 7 Ca 0.20 -0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 2yre s HIS 7 Cb 0.04 -2.34 -0.13 0.00 1.11 0.00 0.00 32.58 31.26 2yre s HIS 7 CO 0.11 -0.50 1.61 0.77 -0.85 0.00 0.00 174.74 175.87 2yre h SER 8 N 8.33 -1.02 -0.11 1.40 0.02 -1.65 0.86 113.55 121.39 2yre h SER 8 Ca -0.31 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2yre h SER 8 Cb 1.14 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 2yre h SER 8 CO 0.62 -0.50 -0.40 -0.74 -1.14 0.00 0.00 176.83 174.66 2yre h HIS 9 N -0.73 -1.20 -0.43 3.45 -0.00 -1.47 -0.59 115.15 114.17 2yre h HIS 9 Ca -0.02 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2yre h HIS 9 Cb 0.67 0.54 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 2yre h HIS 9 CO -0.23 -0.40 0.29 0.00 -0.00 0.00 0.00 177.93 177.58 2yre h VAL 11 N 0.56 0.75 -0.33 0.00 2.07 0.22 -2.64 116.25 116.88 2yre h VAL 11 Ca 0.16 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.42 2yre h VAL 11 Cb -0.02 0.98 -0.32 0.00 -1.52 0.00 0.00 31.29 30.41 2yre h VAL 11 CO -0.04 0.00 -0.89 -0.46 0.02 0.00 0.00 177.57 176.20 2yre n ASN 12 N -4.18 2.39 -4.10 0.57 0.23 -0.38 -4.98 115.26 104.80 2yre n ASN 12 Ca -0.02 -2.88 -0.37 0.00 -0.53 0.00 0.00 54.58 50.78 2yre n ASN 12 Cb 0.12 -0.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.31 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 3.61 1.90 -4.02 0.00 0.24 -1.26 -4.86 118.33 113.94 2yre n VAL 14 Ca 0.07 -0.79 -0.35 0.00 -2.04 0.00 0.00 64.34 61.23 2yre n VAL 14 Cb 0.38 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.87 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 0.05 5.51 -0.05 -1.34 0.15 -1.26 -5.02 113.70 111.74 2yre s SER 15 Ca 0.23 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.87 2yre s SER 15 Cb 0.20 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 2yre s SER 15 CO 0.05 0.15 0.27 -0.09 1.20 0.00 0.00 173.24 174.82 2yre h ARG 16 N 6.83 -0.18 -1.94 5.44 2.43 -1.89 -3.32 114.38 121.75 2yre h ARG 16 Ca -0.36 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 2yre h ARG 16 Cb 1.17 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 2yre h ARG 16 CO 0.68 -0.12 0.04 0.54 -1.51 0.00 0.00 179.97 179.60 2yre n ARG 17 N -4.12 1.14 -1.87 0.20 5.12 -1.26 -4.77 116.66 111.10 2yre n ARG 17 Ca -0.02 -0.23 -0.42 0.00 -1.93 0.00 0.00 57.85 55.24 2yre n ARG 17 Cb 0.07 -1.11 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 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 3.46 2.91 -2.97 0.00 2.81 -1.26 -4.92 117.12 117.16 2yre n MET 19 Ca 0.12 -3.91 -0.39 0.00 -1.81 0.00 0.00 57.70 51.72 2yre n MET 19 Cb 0.38 -2.02 -0.06 0.00 -0.71 0.00 0.00 33.22 30.81 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 -4.24 4.36 -0.12 2.03 2.01 -1.26 -4.98 115.64 113.43 2yre s THR 20 Ca 0.43 1.71 -0.34 0.00 0.31 0.00 0.00 61.69 63.80 2yre s THR 20 Cb 0.38 -4.14 -0.12 0.00 0.01 0.00 0.00 72.50 68.63 2yre s THR 20 CO 0.01 0.52 1.90 -1.14 -0.69 0.00 0.00 174.62 175.22 2yre n ARG 21 N 1.57 2.06 -2.07 4.92 0.63 -1.26 -4.86 116.66 117.65 2yre n ARG 21 Ca -0.05 0.75 -0.41 0.00 -0.92 0.00 0.00 57.85 57.21 2yre n ARG 21 Cb 0.49 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.75 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 4.24 3.03 0.71 -0.14 0.04 -1.26 -4.71 135.00 136.91 2yre s PRO 22 Ca 0.94 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 2yre s PRO 22 Cb -0.71 -4.26 0.02 0.00 0.04 0.00 0.00 34.50 29.59 2yre s PRO 22 CO 0.52 -2.23 1.09 -1.21 0.04 0.00 0.00 177.00 175.21 2yre s GLU 23 N 6.21 2.75 0.00 4.56 0.41 -0.68 -4.79 118.70 127.16 2yre s GLU 23 Ca 0.71 0.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 2yre s GLU 23 Cb -0.17 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 2yre s GLU 23 CO 0.27 -1.07 0.49 -0.35 -0.49 0.00 0.00 175.26 174.11 2yre n PRO 24 N -3.00 0.49 0.08 0.39 -0.04 -1.26 -4.10 135.00 127.55 2yre n PRO 24 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2yre n PRO 24 Cb 0.58 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.00 -1.16 0.37 0.55 0.00 -1.26 -5.01 105.19 98.68 2yre n GLY 25 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.92 -0.61 5.03 -1.89 -3.38 117.51 114.74 2yre h ILE 26 Ca 0.00 0.00 -0.58 0.00 -0.12 0.00 0.00 64.86 64.16 2yre h ILE 26 Cb 0.00 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 33.66 2yre h ILE 26 CO 0.00 0.00 -0.57 -0.55 -0.68 0.00 0.00 178.15 176.35 2yre s SER 27 N -4.37 3.26 0.21 1.72 0.15 -1.26 -1.20 113.70 112.21 2yre s SER 27 Ca -0.12 -1.50 -0.08 0.00 0.70 0.00 0.00 55.95 54.95 2yre s SER 27 Cb 0.06 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 2yre s SER 27 CO 0.48 -0.68 0.32 0.00 1.20 0.00 0.00 173.24 174.56 2yre s ASP 29 N -3.05 6.24 0.10 0.00 1.11 -1.26 -4.67 116.67 115.15 2yre s ASP 29 Ca 0.26 2.82 -0.19 0.00 0.18 0.00 0.00 52.55 55.62 2yre s ASP 29 Cb 0.03 -2.65 -0.07 0.00 1.07 0.00 0.00 42.92 41.30 2yre s ASP 29 CO 0.07 -0.91 0.59 -0.76 1.18 0.00 0.00 175.17 175.33 2yre s LEU 30 N -2.37 4.50 0.02 1.23 1.43 -1.26 -2.28 118.68 119.95 2yre s LEU 30 Ca 0.56 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2yre s LEU 30 Cb -0.42 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 2yre s LEU 30 CO 0.55 0.24 -0.08 0.27 0.23 0.00 0.00 176.35 177.55 2yre s ILE 31 N -1.18 0.64 0.27 -0.59 -5.25 -0.81 -4.84 121.20 109.44 2yre s ILE 31 Ca 0.31 -0.70 -0.26 0.00 -0.99 0.00 0.00 60.65 59.01 2yre s ILE 31 Cb -0.19 -0.61 -0.09 0.00 2.95 0.00 0.00 42.46 44.52 2yre s ILE 31 CO 0.19 -0.07 0.90 -0.83 -1.79 0.00 0.00 174.94 173.35 2yre s GLY 32 N -0.85 2.89 0.12 6.27 0.00 -1.26 -2.89 107.32 111.59 2yre s GLY 32 Ca -0.02 0.50 -0.34 0.00 0.00 0.00 0.00 44.72 44.85 2yre s GLY 32 CO 0.00 0.97 0.98 0.00 0.00 0.00 0.00 173.10 175.06 2yre n PRO 34 N 1.51 0.06 -0.46 0.00 -0.04 -1.26 -2.10 135.00 132.71 2yre n PRO 34 Ca 0.17 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2yre n PRO 34 Cb 0.19 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.43 3.94 -3.86 1.53 4.77 -1.26 -4.95 117.00 115.74 2yre n LEU 35 Ca 0.05 -2.98 -0.29 0.00 -0.03 0.00 0.00 56.01 52.76 2yre n LEU 35 Cb 0.15 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 2yre n LEU 35 CO 0.13 0.67 -0.09 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -0.41 -0.20 0.25 4.08 0.24 -0.89 -4.76 118.33 116.64 2yre n VAL 36 Ca 0.21 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.61 2yre n VAL 36 Cb 0.89 -0.62 0.66 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.90 0.60 3.50 0.00 0.00 -1.26 -5.03 105.19 102.11 2yre n GLY 38 Ca -0.02 0.00 -0.12 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 -0.94 -1.51 -0.27 4.61 0.00 -1.26 -5.09 121.76 117.29 2yre s ALA 39 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 2yre s ALA 39 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2yre s ALA 39 CO 0.00 -0.30 0.07 0.08 0.00 0.00 0.00 175.76 175.61 2yre s VAL 40 N 0.71 4.08 0.12 0.00 1.01 -1.26 -2.54 120.40 122.52 2yre s VAL 40 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2yre s VAL 40 Cb -0.05 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2yre s VAL 40 CO -0.05 0.22 -0.10 0.72 0.00 0.00 0.00 175.10 175.89 2yre s PHE 41 N 1.55 1.13 0.25 5.22 -0.71 -1.14 -4.61 117.98 119.67 2yre s PHE 41 Ca 0.05 -0.75 -0.30 0.00 -1.04 0.00 0.00 56.93 54.89 2yre s PHE 41 Cb -0.16 -0.60 -0.11 0.00 -1.21 0.00 0.00 43.02 40.94 2yre s PHE 41 CO 0.03 0.01 1.56 -1.01 -1.34 0.00 0.00 175.22 174.46 2yre s HIS 42 N -3.04 2.89 0.34 3.49 3.76 -1.26 -1.92 115.29 119.55 2yre s HIS 42 Ca 0.12 0.79 0.20 0.00 -0.15 0.00 0.00 55.06 56.01 2yre s HIS 42 Cb 0.01 -3.98 1.24 0.00 1.11 0.00 0.00 32.58 30.96 2yre s HIS 42 CO -0.01 -3.37 1.44 -1.13 -0.85 0.00 0.00 174.74 170.83 2yre n SER 43 N 2.66 0.31 -0.18 1.40 3.41 -0.96 0.23 113.62 120.49 2yre n SER 43 Ca 0.09 1.50 -0.10 0.00 -0.26 0.00 0.00 58.87 60.10 2yre n SER 43 Cb 0.38 -0.73 0.01 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 0.83 0.98 -0.61 0.00 1.79 0.26 -3.25 116.57 116.56 2yre h LYS 45 Ca 0.14 -0.31 0.06 0.00 -2.18 0.00 0.00 60.65 58.36 2yre h LYS 45 Cb 0.60 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.09 2yre h LYS 45 CO 0.04 0.98 -0.35 0.00 -1.08 0.00 0.00 179.45 179.04 2yre n ALA 46 N -2.46 -0.37 -0.34 3.86 0.00 -0.23 0.19 120.51 121.16 2yre n ALA 46 Ca 0.02 0.52 0.18 0.00 0.00 0.00 0.00 53.44 54.16 2yre n ALA 46 Cb 0.33 -0.10 0.34 0.00 0.00 0.00 0.00 19.45 20.03 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 -4.77 -0.03 -0.07 0.00 9.92 -1.23 -0.85 116.55 119.52 2yre n ASP 47 Ca 0.02 1.67 -0.12 0.00 -0.53 0.00 0.00 54.79 55.82 2yre n ASP 47 Cb 0.16 -0.64 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2yre h GLU 48 N 0.00 0.00 -0.97 -1.24 5.08 0.19 -3.37 114.58 114.27 2yre h GLU 48 Ca 0.64 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 59.16 2yre h GLU 48 Cb 1.41 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.50 2yre h GLU 48 CO -0.90 0.79 -0.36 1.58 -1.00 0.00 0.00 179.01 179.12 2yre n HIS 49 N -4.61 0.07 -0.30 4.33 -0.00 0.11 0.76 115.22 115.57 2yre n HIS 49 Ca -0.11 1.19 0.24 0.00 0.46 0.00 0.00 57.72 59.51 2yre n HIS 49 Cb 0.42 -0.89 0.46 0.00 -0.12 0.00 0.00 29.99 29.86 2yre n HIS 49 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2yre n ARG 50 N -5.45 -0.06 -0.03 1.57 1.85 -0.03 0.66 116.66 115.17 2yre n ARG 50 Ca 0.11 1.30 -0.09 0.00 -1.00 0.00 0.00 57.85 58.17 2yre n ARG 50 Cb 0.40 -2.25 -0.02 0.00 -1.05 0.00 0.00 32.46 29.54 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 -0.65 -0.02 2.89 3.38 0.15 -2.95 115.31 118.10 2yre h LEU 51 Ca 0.71 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.72 2yre h LEU 51 Cb 1.78 0.31 0.01 0.00 0.09 0.00 0.00 40.66 42.84 2yre h LEU 51 CO -0.76 -0.25 -0.30 -0.07 0.09 0.00 0.00 178.44 177.15 2yre h LEU 52 N -0.23 0.30 -5.64 1.67 4.07 0.15 -3.46 115.31 112.16 2yre h LEU 52 Ca 0.12 -0.73 -0.49 0.00 0.08 0.00 0.00 57.88 56.86 2yre h LEU 52 Cb 0.41 -0.09 0.04 0.00 1.08 0.00 0.00 40.66 42.10 2yre h LEU 52 CO -0.33 0.99 -0.01 0.00 -1.08 0.00 0.00 178.44 178.01 2yre h PRO 54 N 1.72 0.51 -0.88 0.00 0.13 -1.89 -3.19 132.00 128.39 2yre h PRO 54 Ca -0.30 -0.27 0.13 0.00 -0.87 0.00 0.00 66.00 64.69 2yre h PRO 54 Cb 0.90 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 2yre h PRO 54 CO 0.40 0.85 0.49 0.74 -0.23 0.00 0.00 178.00 180.25 2yre h PHE 55 N 0.20 0.88 -0.91 1.56 -1.00 -1.93 0.55 116.94 116.29 2yre h PHE 55 Ca 0.03 0.03 -0.61 0.00 2.81 0.00 0.00 57.97 60.24 2yre h PHE 55 Cb 0.75 -0.26 0.10 0.00 3.61 0.00 0.00 35.95 40.15 2yre h PHE 55 CO 0.08 0.27 -0.46 -1.91 -1.61 0.00 0.00 178.31 174.68 2yre n GLU 56 N -4.79 0.00 -1.83 1.51 4.07 -1.21 -4.07 120.64 114.32 2yre n GLU 56 Ca 0.17 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.85 2yre n GLU 56 Cb 0.39 -0.92 -0.03 0.00 -0.06 0.00 0.00 31.44 30.82 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 -0.88 4.17 0.01 5.31 3.52 -1.26 -3.81 118.95 126.01 2yre s ARG 57 Ca 0.59 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.66 2yre s ARG 57 Cb -0.85 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.14 2yre s ARG 57 CO 0.51 -0.74 -0.02 0.14 -0.81 0.00 0.00 175.30 174.37 2yre s VAL 58 N 2.02 0.12 0.45 7.11 -7.23 -0.11 -4.94 120.40 117.82 2yre s VAL 58 Ca 0.75 -0.58 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 2yre s VAL 58 Cb -0.45 -0.21 -0.08 0.00 0.56 0.00 0.00 36.38 36.21 2yre s VAL 58 CO 0.33 -0.29 1.17 -2.16 -0.31 0.00 0.00 175.10 173.84 2yre s PRO 59 N -0.91 3.80 0.21 4.82 0.04 -1.26 -1.30 135.00 140.39 2yre s PRO 59 Ca -0.09 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2yre s PRO 59 Cb -0.06 -2.44 -0.16 0.00 0.04 0.00 0.00 34.50 31.87 2yre s PRO 59 CO -0.01 -0.52 0.82 0.00 0.04 0.00 0.00 177.00 177.33 2yre h LEU 61 N 1.83 -0.38 -3.76 0.00 3.38 -1.91 0.75 115.31 115.22 2yre h LEU 61 Ca -0.36 0.25 -0.41 0.00 0.09 0.00 0.00 57.88 57.46 2yre h LEU 61 Cb 1.39 0.43 -0.17 0.00 0.09 0.00 0.00 40.66 42.41 2yre h LEU 61 CO 0.61 -0.30 0.48 0.59 0.09 0.00 0.00 178.44 179.91 2yre n ASN 62 N -5.42 6.65 -0.19 -0.43 3.02 -1.26 -4.56 115.26 113.07 2yre n ASN 62 Ca 0.21 -3.19 -0.07 0.00 -0.03 0.00 0.00 54.58 51.50 2yre n ASN 62 Cb 0.70 -1.08 0.02 0.00 -0.61 0.00 0.00 39.78 38.82 2yre n ASN 62 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2yre h SER 63 N 1.85 0.66 -0.93 6.41 0.87 0.24 -2.98 113.55 119.67 2yre h SER 63 Ca 0.35 -0.06 0.15 0.00 -1.23 0.00 0.00 61.79 61.00 2yre h SER 63 Cb 0.85 -0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 62.49 2yre h SER 63 CO 0.90 0.53 -0.35 0.47 -0.53 0.00 0.00 176.83 177.84 2yre n ASP 64 N -4.65 -0.58 -0.30 6.23 8.00 -1.26 0.13 116.55 124.11 2yre n ASP 64 Ca 0.03 1.62 0.10 0.00 0.71 0.00 0.00 54.79 57.25 2yre n ASP 64 Cb 0.06 -0.38 0.27 0.00 -0.02 0.00 0.00 41.12 41.05 2yre n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2yre h PHE 65 N 0.00 0.69 0.00 1.24 -1.00 -1.91 -3.45 116.94 112.51 2yre h PHE 65 Ca 0.33 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.15 2yre h PHE 65 Cb 0.56 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2yre h PHE 65 CO -0.81 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 176.35 2yre n GLY 66 N -1.33 0.41 3.43 -1.45 0.00 0.34 -5.12 105.19 101.46 2yre n GLY 66 Ca 0.20 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 5.13 0.49 -2.62 0.00 -0.04 -1.26 -4.52 135.00 132.18 2yre n PRO 68 Ca -0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 2yre n PRO 68 Cb 0.46 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.00 3.52 -0.04 0.54 0.40 -1.26 -5.01 117.98 114.13 2yre s PHE 69 Ca 0.17 1.54 0.02 0.00 -0.60 0.00 0.00 56.93 58.06 2yre s PHE 69 Cb 0.08 -3.23 0.02 0.00 0.51 0.00 0.00 43.02 40.39 2yre s PHE 69 CO 0.13 -0.46 -0.06 0.95 0.70 0.00 0.00 175.22 176.48 2yre s THR 70 N 1.42 0.62 0.29 0.64 -4.23 -1.26 -1.62 115.64 111.51 2yre s THR 70 Ca 0.53 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.64 2yre s THR 70 Cb -0.22 -0.60 0.06 0.00 1.34 0.00 0.00 72.50 73.07 2yre s THR 70 CO 0.25 0.23 0.88 0.00 -0.54 0.00 0.00 174.62 175.44 2yre s MET 71 N 0.65 1.82 0.56 3.99 0.23 -0.42 -4.90 119.30 121.23 2yre s MET 71 Ca -0.09 -1.16 -0.21 0.00 -1.03 0.00 0.00 55.69 53.20 2yre s MET 71 Cb -0.12 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.66 2yre s MET 71 CO 0.01 -0.85 1.30 0.00 -2.03 0.00 0.00 175.02 173.44 2yre s ALA 72 N -2.43 2.73 0.27 3.16 0.00 -1.26 -0.93 121.76 123.29 2yre s ALA 72 Ca 0.17 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 2yre s ALA 72 Cb -0.04 -3.52 0.39 0.00 0.00 0.00 0.00 23.12 19.94 2yre s ALA 72 CO 0.08 -1.28 1.91 0.00 0.00 0.00 0.00 175.76 176.47 2yre h ARG 73 N 1.31 1.18 -0.01 0.00 2.47 0.01 0.19 114.38 119.52 2yre h ARG 73 Ca -0.51 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 2yre h ARG 73 Cb 1.30 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2yre h ARG 73 CO 0.57 0.78 0.00 -1.71 0.56 0.00 0.00 179.97 180.16 2yre n ASN 74 N -4.46 0.01 0.00 7.04 5.15 -1.24 -3.12 115.26 118.64 2yre n ASN 74 Ca 0.14 -1.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 2yre n ASN 74 Cb 0.13 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 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 -0.49 3.16 -0.33 1.20 4.01 0.34 -4.76 118.16 121.29 2yre n LYS 75 Ca 0.00 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 57.98 2yre n LYS 75 Cb 0.00 -0.90 0.35 0.00 -0.51 0.00 0.00 35.03 33.97 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 0.08 -0.91 -0.18 2.07 -0.71 0.27 116.25 116.87 2yre h VAL 76 Ca 0.00 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2yre h VAL 76 Cb 0.81 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 2yre h VAL 76 CO 0.00 0.01 -0.50 0.00 0.02 0.00 0.00 177.57 177.10 2yre h ALA 77 N 1.95 -0.29 -0.94 1.67 0.00 -1.86 0.61 119.26 120.40 2yre h ALA 77 Ca 0.64 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.85 2yre h ALA 77 Cb 1.41 1.18 -0.09 0.00 0.00 0.00 0.00 17.79 20.30 2yre h ALA 77 CO -0.84 -0.84 0.56 0.93 0.00 0.00 0.00 179.25 179.06 2yre h GLU 78 N -0.05 0.81 -0.12 0.00 5.08 -1.29 -1.82 114.58 117.19 2yre h GLU 78 Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2yre h GLU 78 Cb 0.50 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2yre h GLU 78 CO -0.90 0.54 0.03 1.25 -1.00 0.00 0.00 179.01 178.92 2yre h HIS 79 N 0.84 0.20 -1.20 4.33 2.76 0.10 -2.79 115.15 119.40 2yre h HIS 79 Ca 0.49 -0.02 0.35 0.00 -2.20 0.00 0.00 60.37 58.99 2yre h HIS 79 Cb 0.58 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.38 2yre h HIS 79 CO -0.03 0.35 0.79 -0.07 -1.30 0.00 0.00 177.93 177.66 2yre h LEU 80 N -0.01 0.30 -0.33 0.26 3.38 0.31 0.72 115.31 119.93 2yre h LEU 80 Ca 0.04 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2yre h LEU 80 Cb 0.25 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2yre h LEU 80 CO 0.00 -0.03 0.18 -0.33 0.09 0.00 0.00 178.44 178.34 2yre h GLU 81 N 0.21 0.35 -0.45 1.13 5.08 -1.31 -2.71 114.58 116.88 2yre h GLU 81 Ca 0.69 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.87 2yre h GLU 81 Cb 2.09 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 31.17 2yre h GLU 81 CO -0.30 0.23 0.08 0.00 -1.00 0.00 0.00 179.01 178.02 2yre n MET 82 N -4.93 2.59 -3.03 2.33 0.00 0.11 -4.34 117.12 109.85 2yre n MET 82 Ca -0.00 -3.04 -0.39 0.00 0.00 0.00 0.00 57.70 54.27 2yre n MET 82 Cb 0.07 -1.93 -0.06 0.00 0.00 0.00 0.00 33.22 31.30 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 4.97 0.18 -0.11 0.00 0.13 -1.89 -3.11 132.00 132.17 2yre h PRO 84 Ca -0.46 -0.10 0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2yre h PRO 84 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yre h PRO 84 CO 0.68 0.62 0.09 0.00 -0.23 0.00 0.00 178.00 179.16 2yre h ALA 85 N 0.56 1.96 0.00 -0.56 0.00 -1.94 -0.20 119.26 119.08 2yre h ALA 85 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2yre h ALA 85 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yre h ALA 85 CO 0.02 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.78 2yre h SER 86 N 0.00 0.00 -5.88 0.00 4.64 -1.84 -3.45 113.55 107.02 2yre h SER 86 Ca 0.05 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.00 2yre h SER 86 Cb 0.23 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.14 2yre h SER 86 CO -0.00 0.00 -0.57 1.33 -0.87 0.00 0.00 176.83 176.72 2yre n VAL 87 N -2.49 -0.28 0.01 0.95 0.24 -0.09 -4.61 118.33 112.06 2yre n VAL 87 Ca -0.02 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2yre n VAL 87 Cb 0.05 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 2yre n VAL 87 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yre n SER 88 N -1.38 0.02 -4.60 -1.34 7.64 -1.26 -5.07 113.62 107.63 2yre n SER 88 Ca -0.05 0.02 -0.55 0.00 1.01 0.00 0.00 58.87 59.30 2yre n SER 88 Cb 0.34 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.48 2yre n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yre n GLY 89 N 2.14 0.34 0.00 0.23 0.00 -1.26 -4.80 105.19 101.84 2yre n GLY 89 Ca 0.00 0.77 0.07 0.00 0.00 0.00 0.00 46.02 46.86 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 2.82 0.17 -4.17 1.61 -0.04 -1.26 -4.71 135.00 129.41 2yre n PRO 90 Ca 0.21 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 2yre n PRO 90 Cb 0.14 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 2yre n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yre s SER 91 N -2.66 4.74 -0.12 3.54 0.15 -1.26 -5.05 113.70 113.04 2yre s SER 91 Ca 0.13 -0.28 -0.10 0.00 0.70 0.00 0.00 55.95 56.40 2yre s SER 91 Cb 0.10 -1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 2yre s SER 91 CO 0.23 0.17 -0.22 -1.20 1.20 0.00 0.00 173.24 173.43 2yre n SER 92 N 0.58 1.42 0.00 5.45 7.64 -1.26 -5.01 113.62 122.43 2yre n SER 92 Ca -0.12 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2yre n SER 92 Cb 0.52 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64