#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 -0.83 0.29 1.61 1.04 -1.26 -5.18 113.70 109.37 2yre s SER -5 Ca 0.00 1.23 0.10 0.00 0.48 0.00 0.00 55.95 57.76 2yre s SER -5 Cb 0.00 1.68 -0.05 0.00 0.10 0.00 0.00 66.02 67.74 2yre s SER -5 CO 0.00 -0.18 -0.14 -0.44 0.98 0.00 0.00 173.24 173.46 2yre s SER -4 N 2.12 3.32 -0.30 7.02 0.01 -1.26 -5.14 113.70 119.47 2yre s SER -4 Ca -0.07 -1.10 -0.17 0.00 1.31 0.00 0.00 55.95 55.91 2yre s SER -4 Cb -0.07 -0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.08 2yre s SER -4 CO -0.18 -0.13 1.17 -0.83 0.41 0.00 0.00 173.24 173.68 2yre s GLY -3 N -3.49 0.18 -0.12 3.44 0.00 -1.26 -5.17 107.32 100.90 2yre s GLY -3 Ca 0.29 3.48 -0.14 0.00 0.00 0.00 0.00 44.72 48.35 2yre s GLY -3 CO 0.14 3.19 0.38 -0.45 0.00 0.00 0.00 173.10 176.35 2yre s SER -2 N 1.95 -0.37 -0.11 1.64 0.15 -1.26 -5.17 113.70 110.54 2yre s SER -2 Ca -0.02 0.63 -0.22 0.00 0.70 0.00 0.00 55.95 57.04 2yre s SER -2 Cb -0.03 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.02 2yre s SER -2 CO -0.15 -0.22 0.53 -0.94 1.20 0.00 0.00 173.24 173.66 2yre s SER -1 N -0.17 -0.50 -0.28 5.45 1.04 -1.26 -5.17 113.70 112.81 2yre s SER -1 Ca -0.03 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 56.88 2yre s SER -1 Cb -0.03 0.73 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2yre s SER -1 CO 0.02 -0.39 0.90 -0.83 0.98 0.00 0.00 173.24 173.92 2yre s GLY 0 N -0.59 -0.31 -0.07 7.32 0.00 -1.26 -5.15 107.32 107.26 2yre s GLY 0 Ca -0.07 2.48 -0.03 0.00 0.00 0.00 0.00 44.72 47.10 2yre s GLY 0 CO 0.05 1.91 0.12 1.06 0.00 0.00 0.00 173.10 176.24 2yre s MET 1 N 0.48 -0.01 0.01 2.90 1.00 -1.26 -5.15 119.30 117.28 2yre s MET 1 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 55.69 56.13 2yre s MET 1 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 34.83 34.31 2yre s MET 1 CO -0.06 -0.34 0.03 -1.21 0.00 0.00 0.00 175.02 173.44 2yre s GLU 2 N 2.24 0.30 0.36 2.03 0.41 -1.26 -5.17 118.70 117.62 2yre s GLU 2 Ca 0.04 -0.43 0.03 0.00 -0.41 0.00 0.00 54.97 54.21 2yre s GLU 2 Cb -0.12 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 2yre s GLU 2 CO -0.05 -0.06 0.09 -1.21 -0.49 0.00 0.00 175.26 173.55 2yre s GLU 3 N -1.15 1.78 -0.06 1.61 8.01 -1.26 -5.16 118.70 122.47 2yre s GLU 3 Ca -0.13 -2.04 0.05 0.00 0.01 0.00 0.00 54.97 52.86 2yre s GLU 3 Cb -0.08 -0.71 -0.00 0.00 -4.31 0.00 0.00 34.13 29.03 2yre s GLU 3 CO -0.00 -0.34 -0.20 -2.00 0.01 0.00 0.00 175.26 172.73 2yre s GLU 4 N -3.82 2.18 0.55 1.61 2.12 -1.26 -5.14 118.70 114.94 2yre s GLU 4 Ca 0.30 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.98 2yre s GLU 4 Cb 0.06 -1.83 0.06 0.00 0.26 0.00 0.00 34.13 32.67 2yre s GLU 4 CO 0.15 0.26 0.55 -0.48 -0.54 0.00 0.00 175.26 175.19 2yre s LEU 5 N 0.07 2.86 1.21 2.70 2.34 -1.26 -5.11 118.68 121.49 2yre s LEU 5 Ca -0.07 -1.09 -0.16 0.00 0.06 0.00 0.00 54.13 52.88 2yre s LEU 5 Cb -0.13 -1.37 0.25 0.00 -0.56 0.00 0.00 46.19 44.38 2yre s LEU 5 CO 0.04 -1.19 0.67 0.00 -1.06 0.00 0.00 176.35 174.81 2yre n GLN 6 N -1.94 -2.62 -4.01 1.48 10.64 -1.26 -5.00 117.38 114.66 2yre n GLN 6 Ca 0.05 -0.75 -0.31 0.00 -1.83 0.00 0.00 57.00 54.16 2yre n GLN 6 Cb 0.63 -1.97 -0.15 0.00 -0.86 0.00 0.00 30.24 27.89 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 -2.30 3.06 0.18 2.61 3.76 -1.26 -4.92 115.29 116.42 2yre s HIS 7 Ca 0.64 -2.26 -0.03 0.00 -0.15 0.00 0.00 55.06 53.25 2yre s HIS 7 Cb -0.20 -1.99 0.35 0.00 1.11 0.00 0.00 32.58 31.85 2yre s HIS 7 CO 0.64 -0.86 0.98 0.45 -0.85 0.00 0.00 174.74 175.09 2yre n SER 8 N 4.48 -0.17 0.11 1.40 2.88 -1.17 0.25 113.62 121.40 2yre n SER 8 Ca -0.10 1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 58.47 2yre n SER 8 Cb 0.43 -0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 2yre n SER 8 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2yre h HIS 9 N 0.00 -0.27 -0.65 0.66 -0.00 -1.37 -3.03 115.15 110.48 2yre h HIS 9 Ca 0.33 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.79 2yre h HIS 9 Cb 0.57 0.09 -0.11 0.00 -0.00 0.00 0.00 27.41 27.95 2yre h HIS 9 CO -0.43 -0.17 -0.44 0.00 -0.00 0.00 0.00 177.93 176.90 2yre h VAL 11 N -0.19 0.21 -0.50 0.00 -1.51 -0.30 0.78 116.25 114.75 2yre h VAL 11 Ca 0.20 0.00 -0.36 0.00 -1.23 0.00 0.00 66.70 65.31 2yre h VAL 11 Cb 0.56 0.31 -0.27 0.00 -2.13 0.00 0.00 31.29 29.76 2yre h VAL 11 CO -0.74 0.00 -0.62 0.59 -1.23 0.00 0.00 177.57 175.57 2yre n ASN 12 N -3.64 3.85 -3.77 4.19 3.02 0.29 -4.97 115.26 114.23 2yre n ASN 12 Ca 0.20 -3.81 -0.25 0.00 -0.03 0.00 0.00 54.58 50.70 2yre n ASN 12 Cb 1.19 -0.44 -0.17 0.00 -0.61 0.00 0.00 39.78 39.75 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 5.10 2.22 -4.17 0.00 0.24 -1.26 -4.89 118.33 115.57 2yre n VAL 14 Ca -0.08 -3.35 -0.35 0.00 -2.04 0.00 0.00 64.34 58.52 2yre n VAL 14 Cb 0.49 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.27 5.66 -0.05 -1.34 0.15 -1.26 -5.02 113.70 108.57 2yre s SER 15 Ca 0.40 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 2yre s SER 15 Cb 0.38 -1.68 -0.30 0.00 -1.71 0.00 0.00 66.02 62.71 2yre s SER 15 CO -0.06 0.36 0.66 0.08 1.20 0.00 0.00 173.24 175.49 2yre h ARG 16 N 4.85 0.35 -0.92 5.44 0.11 -1.97 -3.33 114.38 118.92 2yre h ARG 16 Ca -0.52 -0.60 -0.26 0.00 0.10 0.00 0.00 59.98 58.71 2yre h ARG 16 Cb 1.20 0.22 -0.15 0.00 1.11 0.00 0.00 29.97 32.35 2yre h ARG 16 CO 0.57 1.26 0.33 -2.13 0.10 0.00 0.00 179.97 180.10 2yre n ARG 17 N -3.54 2.38 -1.69 0.08 3.00 -1.26 -4.57 116.66 111.06 2yre n ARG 17 Ca -0.24 -2.11 -0.44 0.00 -0.00 0.00 0.00 57.85 55.06 2yre n ARG 17 Cb 1.07 -1.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.62 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 5.07 3.09 -3.60 0.00 2.81 -1.26 -4.94 117.12 118.29 2yre n MET 19 Ca 0.18 -4.46 -0.34 0.00 -1.81 0.00 0.00 57.70 51.28 2yre n MET 19 Cb 0.34 -2.14 -0.05 0.00 -0.71 0.00 0.00 33.22 30.66 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 -4.93 5.12 -0.03 2.03 2.01 -1.26 -5.03 115.64 113.54 2yre s THR 20 Ca 0.46 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 2yre s THR 20 Cb 0.37 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2yre s THR 20 CO -0.15 0.24 1.70 -0.60 -0.69 0.00 0.00 174.62 175.11 2yre s ARG 21 N -2.05 4.18 -0.05 4.92 3.52 -1.26 -4.91 118.95 123.30 2yre s ARG 21 Ca 0.34 2.26 -0.30 0.00 -0.13 0.00 0.00 55.73 57.90 2yre s ARG 21 Cb -0.13 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 2yre s ARG 21 CO 0.19 -0.85 1.49 -1.25 -0.81 0.00 0.00 175.30 174.07 2yre s PRO 22 N 3.99 4.23 0.19 5.12 0.04 -1.26 -4.59 135.00 142.73 2yre s PRO 22 Ca 0.75 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.92 2yre s PRO 22 Cb -0.35 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2yre s PRO 22 CO 0.31 -0.71 -0.24 -1.21 0.04 0.00 0.00 177.00 175.19 2yre s GLU 23 N 3.23 1.51 -1.13 4.56 0.41 0.30 -4.86 118.70 122.72 2yre s GLU 23 Ca 0.66 -1.52 -0.23 0.00 -0.41 0.00 0.00 54.97 53.48 2yre s GLU 23 Cb -0.31 -1.82 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 2yre s GLU 23 CO 0.26 0.39 1.93 -0.35 -0.49 0.00 0.00 175.26 177.00 2yre n PRO 24 N 0.27 1.57 0.00 0.39 -0.04 -1.26 -2.98 135.00 132.95 2yre n PRO 24 Ca -0.13 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 2yre n PRO 24 Cb 0.56 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 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 5.62 2.71 0.00 0.55 0.00 -1.26 -4.98 105.19 107.82 2yre n GLY 25 Ca 0.45 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.41 -0.61 -0.00 -1.16 -3.37 119.36 109.82 2yre n ILE 26 Ca 0.00 0.44 -0.20 0.00 -0.00 0.00 0.00 62.75 62.99 2yre n ILE 26 Cb 0.00 -1.34 -0.10 0.00 -0.00 0.00 0.00 39.64 38.19 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 -2.91 2.59 0.09 4.38 0.01 -1.17 -1.04 113.70 115.65 2yre s SER 27 Ca 0.00 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 56.09 2yre s SER 27 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2yre s SER 27 CO 0.00 -0.36 -0.06 0.00 0.41 0.00 0.00 173.24 173.22 2yre n ASP 29 N -0.02 -0.89 -4.78 0.00 9.92 -1.26 -4.72 116.55 114.80 2yre n ASP 29 Ca -0.12 0.46 -0.34 0.00 -0.53 0.00 0.00 54.79 54.25 2yre n ASP 29 Cb 0.61 -1.31 -0.07 0.00 -0.64 0.00 0.00 41.12 39.70 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 -2.61 3.90 0.01 0.64 1.43 -1.26 -2.70 118.68 118.08 2yre s LEU 30 Ca 0.64 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2yre s LEU 30 Cb -0.26 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2yre s LEU 30 CO 0.60 0.31 -0.05 0.27 0.23 0.00 0.00 176.35 177.71 2yre s ILE 31 N -1.12 0.41 0.22 -0.59 -5.25 -1.02 -4.85 121.20 108.99 2yre s ILE 31 Ca 0.20 -0.46 -0.29 0.00 -0.99 0.00 0.00 60.65 59.11 2yre s ILE 31 Cb -0.12 -0.39 -0.09 0.00 2.95 0.00 0.00 42.46 44.82 2yre s ILE 31 CO 0.11 -0.04 0.92 -0.83 -1.79 0.00 0.00 174.94 173.31 2yre s GLY 32 N -0.54 3.09 0.08 6.27 0.00 -1.26 -3.17 107.32 111.78 2yre s GLY 32 Ca -0.02 0.59 -0.35 0.00 0.00 0.00 0.00 44.72 44.94 2yre s GLY 32 CO -0.00 1.19 0.85 0.00 0.00 0.00 0.00 173.10 175.14 2yre n PRO 34 N 1.30 0.06 -0.45 0.00 -0.04 -1.26 -2.08 135.00 132.53 2yre n PRO 34 Ca 0.19 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 2yre n PRO 34 Cb 0.14 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.44 3.95 -3.57 1.53 4.77 -1.26 -4.95 117.00 116.03 2yre n LEU 35 Ca 0.04 -2.85 -0.24 0.00 -0.03 0.00 0.00 56.01 52.92 2yre n LEU 35 Cb 0.15 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2yre n LEU 35 CO 0.13 0.68 -0.07 1.33 -1.33 0.00 0.00 177.39 178.13 2yre n VAL 36 N -0.22 -0.43 0.26 4.08 0.24 -0.88 -4.77 118.33 116.61 2yre n VAL 36 Ca 0.21 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.63 2yre n VAL 36 Cb 0.86 -0.95 0.72 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.78 0.55 3.37 0.00 0.00 -1.26 -5.03 105.19 102.04 2yre n GLY 38 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.26 -1.27 -0.32 4.61 0.00 -1.26 -5.09 121.76 117.17 2yre s ALA 39 Ca 0.00 1.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 2yre s ALA 39 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2yre s ALA 39 CO 0.00 -0.30 0.21 0.08 0.00 0.00 0.00 175.76 175.75 2yre s VAL 40 N 1.46 5.13 0.09 0.00 1.01 -1.26 -2.68 120.40 124.14 2yre s VAL 40 Ca -0.10 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2yre s VAL 40 Cb -0.07 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2yre s VAL 40 CO -0.15 0.08 -0.08 0.72 0.00 0.00 0.00 175.10 175.67 2yre s PHE 41 N 1.71 0.95 0.26 5.22 -0.71 -1.19 -4.21 117.98 120.01 2yre s PHE 41 Ca 0.06 -0.75 -0.31 0.00 -1.04 0.00 0.00 56.93 54.89 2yre s PHE 41 Cb -0.17 -0.53 -0.12 0.00 -1.21 0.00 0.00 43.02 40.99 2yre s PHE 41 CO 0.10 -0.07 1.65 0.72 -1.34 0.00 0.00 175.22 176.28 2yre n HIS 42 N 0.37 2.82 -0.29 3.49 8.25 -1.26 -2.42 115.22 126.17 2yre n HIS 42 Ca -0.15 0.17 0.19 0.00 -0.26 0.00 0.00 57.72 57.67 2yre n HIS 42 Cb 0.59 -2.63 0.37 0.00 1.12 0.00 0.00 29.99 29.43 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 2.88 0.08 -0.13 0.41 3.41 -1.10 0.23 113.62 119.41 2yre n SER 43 Ca 0.12 1.45 -0.12 0.00 -0.26 0.00 0.00 58.87 60.05 2yre n SER 43 Cb 0.36 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 0.78 0.00 -1.01 0.00 1.79 0.26 -2.90 116.57 115.50 2yre h LYS 45 Ca 0.08 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 2yre h LYS 45 Cb 0.91 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.48 2yre h LYS 45 CO 0.08 0.00 0.64 0.00 -1.08 0.00 0.00 179.45 179.10 2yre h ALA 46 N 2.03 1.48 -0.31 3.86 0.00 -0.57 0.68 119.26 126.42 2yre h ALA 46 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yre h ALA 46 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2yre h ALA 46 CO 0.00 0.31 0.19 0.22 0.00 0.00 0.00 179.25 179.97 2yre h ASP 47 N 1.07 0.36 0.58 0.00 1.82 -1.66 -1.11 116.42 117.48 2yre h ASP 47 Ca 0.47 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.89 2yre h ASP 47 Cb 0.37 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 2yre h ASP 47 CO -0.23 0.28 -1.58 -1.84 -1.61 0.00 0.00 179.24 174.27 2yre n GLU 48 N -4.47 0.63 -0.02 0.28 0.28 -0.13 -4.24 120.64 112.96 2yre n GLU 48 Ca 0.02 0.22 -0.12 0.00 -0.16 0.00 0.00 57.16 57.12 2yre n GLU 48 Cb 0.08 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.10 2yre n GLU 48 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2yre h HIS 49 N 0.00 0.15 -1.54 -1.84 2.76 0.85 -2.86 115.15 112.68 2yre h HIS 49 Ca -0.22 -0.03 0.45 0.00 -2.20 0.00 0.00 60.37 58.37 2yre h HIS 49 Cb 1.74 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 30.60 2yre h HIS 49 CO 0.00 0.43 1.12 0.07 -1.30 0.00 0.00 177.93 178.25 2yre h ARG 50 N -0.16 0.00 -0.01 5.26 0.11 -1.40 0.45 114.38 118.63 2yre h ARG 50 Ca 0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.10 2yre h ARG 50 Cb 0.37 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 2yre h ARG 50 CO 0.01 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 180.01 2yre h LEU 51 N 0.00 0.01 0.12 0.08 3.38 -1.71 -3.26 115.31 113.94 2yre h LEU 51 Ca 0.73 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 58.46 2yre h LEU 51 Cb 2.96 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 43.72 2yre h LEU 51 CO -0.01 0.04 -1.02 -0.07 0.09 0.00 0.00 178.44 177.47 2yre h LEU 52 N -0.02 0.41 -6.18 1.67 4.07 -0.42 -3.47 115.31 111.37 2yre h LEU 52 Ca 0.00 -0.91 -0.58 0.00 0.08 0.00 0.00 57.88 56.48 2yre h LEU 52 Cb 0.03 -0.13 0.02 0.00 1.08 0.00 0.00 40.66 41.65 2yre h LEU 52 CO -0.00 1.47 0.30 0.00 -1.08 0.00 0.00 178.44 179.13 2yre h PRO 54 N 2.89 0.25 -1.06 0.00 0.13 -1.90 -3.16 132.00 129.14 2yre h PRO 54 Ca -0.32 -0.13 0.29 0.00 -0.87 0.00 0.00 66.00 64.97 2yre h PRO 54 Cb 0.96 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 2yre h PRO 54 CO 0.58 0.67 0.66 0.74 -0.23 0.00 0.00 178.00 180.42 2yre h PHE 55 N -0.15 0.77 -1.16 1.56 -1.00 -1.91 0.30 116.94 115.35 2yre h PHE 55 Ca 0.02 0.03 -0.68 0.00 2.81 0.00 0.00 57.97 60.15 2yre h PHE 55 Cb 0.62 -0.22 0.10 0.00 3.61 0.00 0.00 35.95 40.07 2yre h PHE 55 CO 0.09 -0.01 -0.38 -1.91 -1.61 0.00 0.00 178.31 174.49 2yre n GLU 56 N -4.76 0.15 -1.90 1.51 4.07 -1.20 -4.18 120.64 114.35 2yre n GLU 56 Ca 0.28 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 57.01 2yre n GLU 56 Cb 0.93 -1.16 -0.03 0.00 -0.06 0.00 0.00 31.44 31.12 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 -0.91 4.19 -0.01 5.31 3.52 -1.26 -3.16 118.95 126.62 2yre s ARG 57 Ca 0.67 2.37 -0.04 0.00 -0.13 0.00 0.00 55.73 58.60 2yre s ARG 57 Cb -0.95 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 2yre s ARG 57 CO 0.56 -0.75 0.09 0.14 -0.81 0.00 0.00 175.30 174.53 2yre s VAL 58 N 2.62 0.05 0.47 7.11 -7.23 -0.59 -4.94 120.40 117.90 2yre s VAL 58 Ca 0.75 -0.40 -0.22 0.00 -1.81 0.00 0.00 61.98 60.29 2yre s VAL 58 Cb -0.41 -0.26 -0.07 0.00 0.56 0.00 0.00 36.38 36.20 2yre s VAL 58 CO 0.33 -0.22 1.16 -2.16 -0.31 0.00 0.00 175.10 173.89 2yre s PRO 59 N -0.71 3.71 0.02 4.82 0.04 -1.26 -1.76 135.00 139.86 2yre s PRO 59 Ca -0.08 1.75 -0.39 0.00 0.04 0.00 0.00 61.00 62.32 2yre s PRO 59 Cb -0.05 -2.35 -0.20 0.00 0.04 0.00 0.00 34.50 31.94 2yre s PRO 59 CO 0.00 -0.59 1.04 0.00 0.04 0.00 0.00 177.00 177.49 2yre n LEU 61 N 1.60 0.12 -2.09 0.00 4.77 -1.26 0.21 117.00 120.35 2yre n LEU 61 Ca 0.20 1.56 -0.24 0.00 -0.03 0.00 0.00 56.01 57.50 2yre n LEU 61 Cb 0.10 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.58 2yre n LEU 61 CO 0.61 -1.67 1.32 0.59 -1.33 0.00 0.00 177.39 176.91 2yre n ASN 62 N -5.23 6.96 -0.09 -1.43 3.02 -1.26 -4.58 115.26 112.64 2yre n ASN 62 Ca 0.29 -3.35 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 2yre n ASN 62 Cb 0.97 -1.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.74 0.33 -0.94 6.41 0.87 0.22 -2.69 113.55 119.48 2yre h SER 63 Ca 0.42 -0.00 0.25 0.00 -1.23 0.00 0.00 61.79 61.22 2yre h SER 63 Cb 0.85 -0.08 -0.17 0.00 -0.44 0.00 0.00 62.40 62.57 2yre h SER 63 CO 1.09 0.24 0.03 -0.78 -0.53 0.00 0.00 176.83 176.88 2yre h ASP 64 N 0.40 -0.44 -0.89 6.23 1.82 -1.82 0.80 116.42 122.53 2yre h ASP 64 Ca 0.12 0.26 0.13 0.00 -0.39 0.00 0.00 57.03 57.15 2yre h ASP 64 Cb -0.03 0.45 -0.09 0.00 0.68 0.00 0.00 39.33 40.34 2yre h ASP 64 CO -0.04 -0.31 0.50 -0.26 -1.61 0.00 0.00 179.24 177.52 2yre h PHE 65 N 0.04 0.89 0.00 0.28 -1.00 -1.85 -3.45 116.94 111.84 2yre h PHE 65 Ca 0.56 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.37 2yre h PHE 65 Cb 1.12 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2yre h PHE 65 CO -0.48 0.28 0.00 0.41 -1.61 0.00 0.00 178.31 176.91 2yre n GLY 66 N -1.33 0.44 3.30 -1.45 0.00 0.28 -5.12 105.19 101.32 2yre n GLY 66 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 8.26 0.00 -6.51 0.00 0.13 -1.96 -3.40 132.00 128.53 2yre h PRO 68 Ca -0.25 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.29 2yre h PRO 68 Cb 1.09 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.29 2yre h PRO 68 CO 0.61 0.00 0.66 1.19 -0.23 0.00 0.00 178.00 180.23 2yre n PHE 69 N -2.42 2.10 -3.99 1.56 3.01 -1.26 -4.90 117.46 111.56 2yre n PHE 69 Ca 0.02 0.40 -0.18 0.00 1.01 0.00 0.00 57.45 58.69 2yre n PHE 69 Cb 0.24 -2.47 -0.16 0.00 -0.01 0.00 0.00 39.48 37.07 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 0.39 0.30 0.30 4.37 -4.23 -1.26 -1.67 115.64 113.84 2yre s THR 70 Ca 0.74 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 2yre s THR 70 Cb -0.70 -0.38 0.06 0.00 1.34 0.00 0.00 72.50 72.81 2yre s THR 70 CO 0.44 0.18 0.87 0.00 -0.54 0.00 0.00 174.62 175.57 2yre s MET 71 N 1.07 1.83 0.27 3.99 0.23 -0.72 -4.93 119.30 121.03 2yre s MET 71 Ca -0.09 -1.15 -0.31 0.00 -1.03 0.00 0.00 55.69 53.11 2yre s MET 71 Cb -0.14 0.53 -0.12 0.00 -1.53 0.00 0.00 34.83 33.57 2yre s MET 71 CO -0.01 -0.86 1.54 0.00 -2.03 0.00 0.00 175.02 173.66 2yre n ALA 72 N -0.57 2.05 -0.55 3.16 0.00 -1.26 -1.54 120.51 121.81 2yre n ALA 72 Ca -0.06 0.39 0.44 0.00 0.00 0.00 0.00 53.44 54.21 2yre n ALA 72 Cb 0.60 -2.40 0.71 0.00 0.00 0.00 0.00 19.45 18.36 2yre n ALA 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2yre n ARG 73 N 2.26 -0.02 0.06 0.00 0.63 0.11 0.16 116.66 119.86 2yre n ARG 73 Ca 0.10 1.17 -0.21 0.00 -0.92 0.00 0.00 57.85 58.00 2yre n ARG 73 Cb 0.35 -2.44 -0.13 0.00 0.45 0.00 0.00 32.46 30.69 2yre n ARG 73 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2yre h ASN 74 N 0.00 0.65 -0.15 6.15 7.08 -1.88 -3.27 115.58 124.17 2yre h ASN 74 Ca 0.89 -0.87 -0.00 0.00 -3.08 0.00 0.00 56.30 53.24 2yre h ASN 74 Cb 3.11 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 39.14 2yre h ASN 74 CO -0.30 1.45 0.09 0.50 -2.08 0.00 0.00 177.43 177.09 2yre h LYS 75 N -0.06 0.21 -1.06 4.14 1.63 0.13 -2.35 116.57 119.21 2yre h LYS 75 Ca -0.15 -0.01 0.31 0.00 -0.85 0.00 0.00 60.65 59.94 2yre h LYS 75 Cb 1.70 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.24 2yre h LYS 75 CO 0.18 0.15 1.11 -0.39 -3.45 0.00 0.00 179.45 177.05 2yre h VAL 76 N 0.21 0.08 0.69 2.00 -1.51 -1.12 0.12 116.25 116.71 2yre h VAL 76 Ca 0.06 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.49 2yre h VAL 76 Cb -0.00 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.29 2yre h VAL 76 CO -0.01 0.00 -0.33 0.00 -1.23 0.00 0.00 177.57 176.00 2yre h ALA 77 N 0.78 -1.19 -0.98 5.19 0.00 -1.64 0.23 119.26 121.65 2yre h ALA 77 Ca 0.50 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.40 2yre h ALA 77 Cb 2.71 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 20.76 2yre h ALA 77 CO -0.01 -1.12 0.61 1.05 0.00 0.00 0.00 179.25 179.78 2yre h GLU 78 N -0.96 0.67 -0.00 0.00 4.11 -1.20 -1.46 114.58 115.74 2yre h GLU 78 Ca -0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2yre h GLU 78 Cb 0.71 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2yre h GLU 78 CO 0.16 0.45 -0.00 1.25 0.07 0.00 0.00 179.01 180.93 2yre h HIS 79 N 0.69 0.00 -1.10 2.06 2.76 -1.37 -3.04 115.15 115.16 2yre h HIS 79 Ca 0.55 -0.00 0.32 0.00 -2.20 0.00 0.00 60.37 59.04 2yre h HIS 79 Cb 0.94 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.78 2yre h HIS 79 CO -0.00 0.37 0.69 -0.07 -1.30 0.00 0.00 177.93 177.62 2yre h LEU 80 N -0.36 0.42 -0.80 0.26 3.38 0.55 0.65 115.31 119.40 2yre h LEU 80 Ca 0.00 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.19 2yre h LEU 80 Cb 0.37 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2yre h LEU 80 CO 0.00 -0.04 0.45 -0.33 0.09 0.00 0.00 178.44 178.62 2yre h GLU 81 N 0.31 0.74 -0.24 1.13 5.08 -1.36 -2.07 114.58 118.17 2yre h GLU 81 Ca 0.69 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.95 2yre h GLU 81 Cb 1.81 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.86 2yre h GLU 81 CO -0.41 0.49 -0.04 0.00 -1.00 0.00 0.00 179.01 178.05 2yre n MET 82 N -4.76 2.28 -2.85 2.33 0.00 0.14 -5.01 117.12 109.25 2yre n MET 82 Ca 0.13 -2.92 -0.41 0.00 0.00 0.00 0.00 57.70 54.50 2yre n MET 82 Cb 0.28 -1.78 -0.04 0.00 0.00 0.00 0.00 33.22 31.68 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 5.95 0.53 -0.45 0.00 0.13 -1.88 -3.10 132.00 133.17 2yre h PRO 84 Ca -0.43 -0.28 0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2yre h PRO 84 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 84 CO 0.72 0.86 0.31 0.00 -0.23 0.00 0.00 178.00 179.67 2yre h ALA 85 N 0.66 2.15 0.00 -0.56 0.00 -1.93 0.67 119.26 120.24 2yre h ALA 85 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yre h ALA 85 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2yre h ALA 85 CO 0.05 -0.26 0.03 0.43 0.00 0.00 0.00 179.25 179.50 2yre n SER 86 N -4.46 0.44 -3.28 0.00 7.64 -1.17 -4.80 113.62 107.98 2yre n SER 86 Ca 0.07 0.69 -0.13 0.00 1.01 0.00 0.00 58.87 60.51 2yre n SER 86 Cb 0.37 -0.74 -0.04 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 -2.09 -0.45 -3.75 0.44 0.24 0.22 -4.83 118.33 108.10 2yre n VAL 87 Ca -0.01 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.34 61.71 2yre n VAL 87 Cb 0.05 -0.44 -0.12 0.00 -1.47 0.00 0.00 33.84 31.86 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 -3.62 5.29 0.00 -1.34 0.15 -1.26 -5.02 113.70 107.89 2yre s SER 88 Ca 0.01 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2yre s SER 88 Cb -0.01 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2yre s SER 88 CO 0.41 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2yre n GLY 89 N 4.73 2.70 0.00 9.45 0.00 -1.26 -4.91 105.19 115.89 2yre n GLY 89 Ca -0.09 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.51 0.35 -1.26 1.61 -0.04 -1.26 -4.83 135.00 128.07 2yre n PRO 90 Ca 0.00 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 2yre n PRO 90 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 2yre n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yre n SER 91 N -1.14 0.83 -0.29 3.54 3.41 -1.26 -4.88 113.62 113.83 2yre n SER 91 Ca 0.09 0.63 -0.03 0.00 -0.26 0.00 0.00 58.87 59.31 2yre n SER 91 Cb 0.08 -1.47 0.03 0.00 -0.26 0.00 0.00 64.21 62.60 2yre n SER 91 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yre h SER 92 N -0.52 -1.25 0.00 4.04 0.87 -2.03 -3.50 113.55 111.16 2yre h SER 92 Ca -0.47 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2yre h SER 92 Cb 1.32 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2yre h SER 92 CO 0.47 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.08