#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 -0.73 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.02 2yre s SER -5 Ca 0.00 0.91 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 2yre s SER -5 Cb 0.00 1.79 0.17 0.00 -1.71 0.00 0.00 66.02 66.28 2yre s SER -5 CO 0.00 -0.14 1.05 -0.94 1.20 0.00 0.00 173.24 174.41 2yre s SER -4 N 2.61 -0.47 0.00 5.45 1.04 -1.26 -5.16 113.70 115.91 2yre s SER -4 Ca -0.01 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2yre s SER -4 Cb -0.08 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2yre s SER -4 CO -0.17 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2yre n GLY -3 N 4.96 2.23 3.40 7.32 0.00 -1.26 -5.08 105.19 116.76 2yre n GLY -3 Ca -0.08 0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 6.95 -0.92 1.61 0.01 -1.26 -4.95 113.70 115.14 2yre s SER -2 Ca 0.00 -2.83 -0.10 0.00 1.31 0.00 0.00 55.95 54.33 2yre s SER -2 Cb 0.00 -2.31 0.24 0.00 0.21 0.00 0.00 66.02 64.16 2yre s SER -2 CO 0.00 -0.67 0.86 -0.94 0.41 0.00 0.00 173.24 172.90 2yre s SER -1 N 2.50 6.75 0.00 2.44 1.04 -1.26 -4.80 113.70 120.37 2yre s SER -1 Ca 0.31 -3.13 0.00 0.00 0.48 0.00 0.00 55.95 53.61 2yre s SER -1 Cb -0.07 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2yre s SER -1 CO -0.07 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2yre n GLY 0 N 3.31 0.94 2.93 7.32 0.00 -1.26 -5.14 105.19 113.30 2yre n GLY 0 Ca 0.18 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 2yre n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2yre s MET 1 N 0.00 1.43 0.69 1.61 -2.45 -1.26 -5.11 119.30 114.21 2yre s MET 1 Ca 0.00 -1.31 -0.17 0.00 -1.25 0.00 0.00 55.69 52.97 2yre s MET 1 Cb 0.00 -2.67 0.01 0.00 1.25 0.00 0.00 34.83 33.41 2yre s MET 1 CO 0.00 -0.78 1.14 -0.85 1.05 0.00 0.00 175.02 175.58 2yre n GLU 2 N 4.56 0.76 -3.69 4.11 -0.00 -1.26 -5.03 120.64 120.08 2yre n GLU 2 Ca -0.05 0.32 -0.13 0.00 -0.00 0.00 0.00 57.16 57.29 2yre n GLU 2 Cb 0.43 -2.38 -0.13 0.00 -0.00 0.00 0.00 31.44 29.35 2yre n GLU 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2yre s GLU 3 N -3.41 0.17 0.34 3.44 0.41 -1.26 -5.14 118.70 113.25 2yre s GLU 3 Ca 0.78 0.63 -0.29 0.00 -0.41 0.00 0.00 54.97 55.68 2yre s GLU 3 Cb -0.36 -0.09 -0.10 0.00 -1.78 0.00 0.00 34.13 31.79 2yre s GLU 3 CO 0.46 -0.23 1.35 -2.00 -0.49 0.00 0.00 175.26 174.34 2yre s GLU 4 N 1.85 4.31 0.51 1.61 2.12 -1.26 -5.03 118.70 122.81 2yre s GLU 4 Ca -0.04 2.29 0.08 0.00 0.36 0.00 0.00 54.97 57.66 2yre s GLU 4 Cb -0.11 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.27 2yre s GLU 4 CO -0.08 -0.26 0.61 -0.51 -0.54 0.00 0.00 175.26 174.48 2yre s LEU 5 N -1.78 3.20 0.59 2.70 1.43 -1.26 -5.13 118.68 118.43 2yre s LEU 5 Ca 0.50 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2yre s LEU 5 Cb -0.41 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.00 2yre s LEU 5 CO 0.54 -1.07 0.84 0.00 0.23 0.00 0.00 176.35 176.89 2yre s GLN 6 N -4.45 2.47 -0.25 1.70 -2.07 -1.26 -5.09 119.66 110.72 2yre s GLN 6 Ca 0.53 -0.61 0.01 0.00 -1.82 0.00 0.00 55.36 53.48 2yre s GLN 6 Cb -0.06 -2.40 0.04 0.00 -1.09 0.00 0.00 33.01 29.51 2yre s GLN 6 CO 0.33 -0.84 -0.11 -1.01 -1.32 0.00 0.00 175.29 172.34 2yre s HIS 7 N -2.89 3.13 0.36 9.60 3.76 -1.26 -4.94 115.29 123.05 2yre s HIS 7 Ca 0.58 -1.99 0.16 0.00 -0.15 0.00 0.00 55.06 53.65 2yre s HIS 7 Cb -0.10 -1.97 1.09 0.00 1.11 0.00 0.00 32.58 32.70 2yre s HIS 7 CO 0.40 -0.83 1.70 1.03 -0.85 0.00 0.00 174.74 176.19 2yre h SER 8 N 7.88 0.51 0.05 1.40 0.87 -1.62 0.24 113.55 122.88 2yre h SER 8 Ca -0.27 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2yre h SER 8 Cb 1.08 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2yre h SER 8 CO 0.53 -0.03 -0.02 -0.74 -0.53 0.00 0.00 176.83 176.03 2yre h HIS 9 N 0.37 -0.06 -0.58 2.24 -0.00 -1.51 -3.13 115.15 112.48 2yre h HIS 9 Ca 0.69 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 61.14 2yre h HIS 9 Cb 1.64 0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.97 2yre h HIS 9 CO -0.01 -0.04 -0.50 0.00 -0.00 0.00 0.00 177.93 177.39 2yre h VAL 11 N -0.26 0.17 -0.39 0.00 -1.51 -0.68 0.59 116.25 114.18 2yre h VAL 11 Ca 0.14 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.32 2yre h VAL 11 Cb 0.56 0.38 -0.26 0.00 -2.13 0.00 0.00 31.29 29.84 2yre h VAL 11 CO -0.69 0.00 -0.73 0.59 -1.23 0.00 0.00 177.57 175.50 2yre n ASN 12 N -3.37 3.17 -4.09 4.19 3.02 0.29 -5.01 115.26 113.46 2yre n ASN 12 Ca 0.12 -3.57 -0.30 0.00 -0.03 0.00 0.00 54.58 50.80 2yre n ASN 12 Cb 0.95 -0.42 -0.17 0.00 -0.61 0.00 0.00 39.78 39.53 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 4.19 1.81 -3.81 0.00 0.24 -1.26 -4.93 118.33 114.58 2yre n VAL 14 Ca -0.19 -2.86 -0.36 0.00 -2.04 0.00 0.00 64.34 58.88 2yre n VAL 14 Cb 0.51 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 32.74 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 -3.03 5.49 0.02 -1.34 0.15 -1.26 -5.01 113.70 108.72 2yre s SER 15 Ca 0.38 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.73 2yre s SER 15 Cb 0.37 -1.98 -0.13 0.00 -1.71 0.00 0.00 66.02 62.58 2yre s SER 15 CO -0.09 0.04 1.11 -0.09 1.20 0.00 0.00 173.24 175.41 2yre h ARG 16 N 7.73 -0.79 -1.56 5.44 9.65 -1.96 -3.08 114.38 129.82 2yre h ARG 16 Ca -0.37 0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.48 2yre h ARG 16 Cb 1.18 0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.89 2yre h ARG 16 CO 0.61 -0.53 0.11 -2.13 2.80 0.00 0.00 179.97 180.84 2yre n ARG 17 N -4.70 1.21 -1.68 0.20 3.00 -1.26 -4.66 116.66 108.77 2yre n ARG 17 Ca -0.10 -0.44 -0.45 0.00 -0.00 0.00 0.00 57.85 56.86 2yre n ARG 17 Cb 0.32 -1.17 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 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 2.78 2.33 -3.59 0.00 2.81 -1.26 -4.92 117.12 115.27 2yre n MET 19 Ca 0.14 -4.05 -0.37 0.00 -1.81 0.00 0.00 57.70 51.61 2yre n MET 19 Cb 0.31 -1.88 -0.08 0.00 -0.71 0.00 0.00 33.22 30.85 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 -4.08 5.32 -0.46 2.03 2.01 -1.26 -5.00 115.64 114.20 2yre s THR 20 Ca 0.41 0.36 -0.44 0.00 0.31 0.00 0.00 61.69 62.33 2yre s THR 20 Cb 0.38 -3.57 -0.18 0.00 0.01 0.00 0.00 72.50 69.13 2yre s THR 20 CO -0.10 0.34 1.82 -1.14 -0.69 0.00 0.00 174.62 174.85 2yre n ARG 21 N 4.12 0.25 -2.09 4.92 0.63 -1.26 -4.80 116.66 118.43 2yre n ARG 21 Ca -0.13 0.08 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 2yre n ARG 21 Cb 0.52 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.75 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 4.18 3.38 0.22 -0.14 0.04 -1.26 -4.59 135.00 136.82 2yre s PRO 22 Ca 1.09 1.29 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2yre s PRO 22 Cb -1.39 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 28.95 2yre s PRO 22 CO 0.73 -1.80 0.25 -1.21 0.04 0.00 0.00 177.00 175.00 2yre s GLU 23 N 5.51 3.15 0.00 4.56 0.41 0.79 -4.84 118.70 128.28 2yre s GLU 23 Ca 0.75 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 2yre s GLU 23 Cb -0.20 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 2yre s GLU 23 CO 0.33 0.44 0.48 -0.35 -0.49 0.00 0.00 175.26 175.67 2yre n PRO 24 N -1.00 0.49 0.17 0.39 -0.04 -1.26 -3.87 135.00 129.87 2yre n PRO 24 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 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 -1.11 0.00 0.55 0.00 -1.26 -5.02 105.19 98.35 2yre n GLY 25 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.31 0.00 -4.31 -0.61 -0.00 -1.26 -3.91 119.36 105.96 2yre n ILE 26 Ca 0.00 1.23 -0.16 0.00 -0.00 0.00 0.00 62.75 63.82 2yre n ILE 26 Cb 0.00 -2.09 -0.10 0.00 -0.00 0.00 0.00 39.64 37.45 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 -2.28 1.28 0.24 4.38 1.04 -1.25 -1.39 113.70 115.72 2yre s SER 27 Ca 0.00 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.10 2yre s SER 27 Cb 0.00 0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 2yre s SER 27 CO 0.00 -0.69 0.03 0.00 0.98 0.00 0.00 173.24 173.57 2yre s ASP 29 N -2.39 5.23 0.04 0.00 1.01 -1.26 -4.49 116.67 114.81 2yre s ASP 29 Ca 0.05 1.71 -0.01 0.00 0.71 0.00 0.00 52.55 55.01 2yre s ASP 29 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2yre s ASP 29 CO 0.03 -1.54 0.19 -0.76 0.21 0.00 0.00 175.17 173.30 2yre s LEU 30 N -5.43 4.32 -0.05 1.23 1.43 -1.26 -2.74 118.68 116.18 2yre s LEU 30 Ca 0.60 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.92 2yre s LEU 30 Cb -0.15 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.27 2yre s LEU 30 CO 0.52 0.20 0.16 0.27 0.23 0.00 0.00 176.35 177.72 2yre s ILE 31 N -1.44 0.02 0.34 -0.59 -5.25 -0.75 -4.82 121.20 108.72 2yre s ILE 31 Ca 0.32 -0.14 -0.26 0.00 -0.99 0.00 0.00 60.65 59.58 2yre s ILE 31 Cb -0.13 -0.27 -0.09 0.00 2.95 0.00 0.00 42.46 44.92 2yre s ILE 31 CO 0.25 -0.08 1.05 -0.83 -1.79 0.00 0.00 174.94 173.54 2yre s GLY 32 N -0.20 2.87 0.19 6.27 0.00 -1.26 -2.93 107.32 112.26 2yre s GLY 32 Ca -0.03 0.75 -0.32 0.00 0.00 0.00 0.00 44.72 45.12 2yre s GLY 32 CO 0.00 1.25 1.23 0.00 0.00 0.00 0.00 173.10 175.58 2yre n PRO 34 N 1.84 0.18 -0.38 0.00 -0.04 -1.26 -1.97 135.00 133.37 2yre n PRO 34 Ca 0.14 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 2yre n PRO 34 Cb 0.26 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.31 3.75 -3.37 1.53 4.77 -1.26 -4.95 117.00 116.16 2yre n LEU 35 Ca 0.07 -2.45 -0.21 0.00 -0.03 0.00 0.00 56.01 53.39 2yre n LEU 35 Cb 0.12 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 2yre n LEU 35 CO 0.11 0.74 -0.06 1.33 -1.33 0.00 0.00 177.39 178.18 2yre n VAL 36 N 0.37 -0.47 0.26 4.08 0.24 -0.83 -4.77 118.33 117.20 2yre n VAL 36 Ca 0.19 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.61 2yre n VAL 36 Cb 0.71 -1.02 0.70 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.65 0.68 3.63 0.00 0.00 -1.26 -5.05 105.19 102.55 2yre n GLY 38 Ca -0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.50 -1.81 -0.28 4.61 0.00 -1.26 -5.09 121.76 116.42 2yre s ALA 39 Ca 0.00 2.14 -0.07 0.00 0.00 0.00 0.00 51.96 54.03 2yre s ALA 39 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2yre s ALA 39 CO 0.00 -0.35 0.08 0.08 0.00 0.00 0.00 175.76 175.57 2yre s VAL 40 N 0.74 4.11 0.12 0.00 1.01 -1.26 -2.59 120.40 122.53 2yre s VAL 40 Ca -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2yre s VAL 40 Cb -0.05 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2yre s VAL 40 CO -0.05 0.18 -0.08 0.72 0.00 0.00 0.00 175.10 175.87 2yre s PHE 41 N 1.55 1.06 0.16 5.22 -0.71 -1.15 -4.47 117.98 119.64 2yre s PHE 41 Ca 0.04 -0.85 -0.31 0.00 -1.04 0.00 0.00 56.93 54.77 2yre s PHE 41 Cb -0.16 -0.57 -0.11 0.00 -1.21 0.00 0.00 43.02 40.97 2yre s PHE 41 CO 0.03 -0.05 1.69 -1.01 -1.34 0.00 0.00 175.22 174.54 2yre s HIS 42 N -3.49 2.74 0.29 3.49 3.76 -1.26 -1.80 115.29 119.02 2yre s HIS 42 Ca 0.14 0.36 0.16 0.00 -0.15 0.00 0.00 55.06 55.57 2yre s HIS 42 Cb 0.04 -4.06 1.04 0.00 1.11 0.00 0.00 32.58 30.72 2yre s HIS 42 CO -0.02 -4.09 1.23 -1.13 -0.85 0.00 0.00 174.74 169.88 2yre n SER 43 N 4.52 0.27 -0.07 1.40 3.41 -1.11 0.22 113.62 122.26 2yre n SER 43 Ca 0.16 1.29 -0.11 0.00 -0.26 0.00 0.00 58.87 59.94 2yre n SER 43 Cb 0.37 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.11 0.76 -0.68 0.00 1.79 0.22 -3.04 116.57 115.74 2yre h LYS 45 Ca 0.06 -0.08 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 2yre h LYS 45 Cb 0.38 -0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 30.75 2yre h LYS 45 CO 0.01 0.58 -0.20 0.00 -1.08 0.00 0.00 179.45 178.75 2yre n ALA 46 N -2.45 0.08 -0.21 3.86 0.00 -0.27 0.14 120.51 121.65 2yre n ALA 46 Ca 0.05 0.72 -0.02 0.00 0.00 0.00 0.00 53.44 54.19 2yre n ALA 46 Cb 0.11 -0.40 0.05 0.00 0.00 0.00 0.00 19.45 19.21 2yre n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2yre h ASP 47 N 0.00 -0.77 -0.03 0.00 3.32 -1.69 0.16 116.42 117.40 2yre h ASP 47 Ca 0.29 0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 2yre h ASP 47 Cb 0.46 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2yre h ASP 47 CO -0.69 -0.25 -0.17 -0.33 -1.72 0.00 0.00 179.24 176.08 2yre h GLU 48 N -0.06 0.17 -0.48 3.56 5.08 0.96 -3.32 114.58 120.49 2yre h GLU 48 Ca 0.29 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2yre h GLU 48 Cb 0.50 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2yre h GLU 48 CO -0.67 0.81 -0.38 1.25 -1.00 0.00 0.00 179.01 179.02 2yre h HIS 49 N -0.41 -1.07 -0.79 4.33 2.76 0.17 -0.06 115.15 120.07 2yre h HIS 49 Ca -0.01 0.07 0.24 0.00 -2.20 0.00 0.00 60.37 58.47 2yre h HIS 49 Cb 0.84 0.54 -0.15 0.00 1.55 0.00 0.00 27.41 30.20 2yre h HIS 49 CO 0.15 -0.41 0.10 0.54 -1.30 0.00 0.00 177.93 177.01 2yre n ARG 50 N -5.42 -0.06 -0.23 5.26 1.74 0.48 0.20 116.66 118.63 2yre n ARG 50 Ca 0.02 1.17 0.03 0.00 -0.77 0.00 0.00 57.85 58.29 2yre n ARG 50 Cb 0.35 -1.90 0.15 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.22 0.17 0.55 3.38 -1.15 -2.48 115.31 116.00 2yre h LEU 51 Ca 0.52 0.10 -0.24 0.00 0.09 0.00 0.00 57.88 58.35 2yre h LEU 51 Cb 1.14 0.09 0.03 0.00 0.09 0.00 0.00 40.66 42.01 2yre h LEU 51 CO -0.72 0.10 -1.04 -0.07 0.09 0.00 0.00 178.44 176.80 2yre h LEU 52 N 0.41 0.62 -6.30 1.67 3.38 0.22 -3.47 115.31 111.83 2yre h LEU 52 Ca 0.37 -0.93 -0.57 0.00 0.09 0.00 0.00 57.88 56.84 2yre h LEU 52 Cb 0.52 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 41.10 2yre h LEU 52 CO -0.38 1.50 0.14 0.00 0.09 0.00 0.00 178.44 179.80 2yre h PRO 54 N 2.43 0.00 0.11 0.00 0.13 -1.90 -3.08 132.00 129.68 2yre h PRO 54 Ca -0.35 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 2yre h PRO 54 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2yre h PRO 54 CO 0.51 0.00 -1.35 0.74 -0.23 0.00 0.00 178.00 177.67 2yre h PHE 55 N 0.00 0.42 -0.75 1.56 -1.00 -1.91 0.19 116.94 115.46 2yre h PHE 55 Ca 0.00 -0.31 -0.57 0.00 2.81 0.00 0.00 57.97 59.91 2yre h PHE 55 Cb 0.38 -0.02 0.05 0.00 3.61 0.00 0.00 35.95 39.97 2yre h PHE 55 CO 0.00 1.53 -0.09 -1.91 -1.61 0.00 0.00 178.31 176.23 2yre n GLU 56 N -3.96 0.00 -1.69 1.51 4.07 -1.17 -4.17 120.64 115.23 2yre n GLU 56 Ca -0.24 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.43 2yre n GLU 56 Cb 0.88 -1.01 -0.03 0.00 -0.06 0.00 0.00 31.44 31.22 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2yre n ARG 57 N 1.01 2.76 -3.90 5.31 0.63 -1.26 -3.48 116.66 117.73 2yre n ARG 57 Ca 0.15 1.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.97 2yre n ARG 57 Cb 0.10 -2.89 -0.11 0.00 0.45 0.00 0.00 32.46 30.01 2yre n ARG 57 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2yre s VAL 58 N 2.50 0.07 0.48 5.15 -7.23 0.36 -4.96 120.40 116.78 2yre s VAL 58 Ca 0.81 -0.54 -0.22 0.00 -1.81 0.00 0.00 61.98 60.22 2yre s VAL 58 Cb -0.50 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.10 2yre s VAL 58 CO 0.37 -0.30 1.15 -2.16 -0.31 0.00 0.00 175.10 173.85 2yre s PRO 59 N -0.95 3.64 0.15 4.82 0.04 -1.26 -1.46 135.00 139.98 2yre s PRO 59 Ca -0.10 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2yre s PRO 59 Cb -0.06 -2.28 -0.18 0.00 0.04 0.00 0.00 34.50 32.02 2yre s PRO 59 CO 0.00 -0.64 0.66 0.00 0.04 0.00 0.00 177.00 177.06 2yre h LEU 61 N 1.50 0.00 -3.66 0.00 3.38 -1.92 0.80 115.31 115.41 2yre h LEU 61 Ca -0.34 0.22 -0.45 0.00 0.09 0.00 0.00 57.88 57.40 2yre h LEU 61 Cb 1.43 0.30 -0.19 0.00 0.09 0.00 0.00 40.66 42.29 2yre h LEU 61 CO 0.59 -0.24 0.59 0.59 0.09 0.00 0.00 178.44 180.06 2yre n ASN 62 N -5.27 6.85 -0.18 -0.43 3.02 -1.26 -4.57 115.26 113.42 2yre n ASN 62 Ca 0.25 -3.33 -0.06 0.00 -0.03 0.00 0.00 54.58 51.41 2yre n ASN 62 Cb 0.82 -1.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.64 0.56 -0.93 6.41 0.87 0.35 -2.66 113.55 119.80 2yre h SER 63 Ca 0.41 -0.01 0.23 0.00 -1.23 0.00 0.00 61.79 61.19 2yre h SER 63 Cb 0.91 -0.13 -0.17 0.00 -0.44 0.00 0.00 62.40 62.57 2yre h SER 63 CO 1.06 0.40 -0.04 0.44 -0.53 0.00 0.00 176.83 178.16 2yre h ASP 64 N 0.67 -0.55 -1.00 6.23 5.19 -1.82 0.87 116.42 126.00 2yre h ASP 64 Ca 0.20 0.26 0.19 0.00 -0.62 0.00 0.00 57.03 57.06 2yre h ASP 64 Cb -0.03 0.48 -0.10 0.00 0.18 0.00 0.00 39.33 39.85 2yre h ASP 64 CO -0.07 -0.30 0.61 -0.26 -3.12 0.00 0.00 179.24 176.10 2yre h PHE 65 N 0.03 1.06 0.00 4.55 -1.00 -1.85 -3.44 116.94 116.29 2yre h PHE 65 Ca 0.52 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.34 2yre h PHE 65 Cb 0.98 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.22 2yre h PHE 65 CO -0.54 0.25 0.00 0.41 -1.61 0.00 0.00 178.31 176.82 2yre n GLY 66 N -1.34 0.59 3.53 -1.45 0.00 0.30 -5.12 105.19 101.70 2yre n GLY 66 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 8.74 0.00 -6.33 0.00 0.13 -1.95 -3.41 132.00 129.18 2yre h PRO 68 Ca -0.26 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.28 2yre h PRO 68 Cb 1.10 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.41 2yre h PRO 68 CO 0.86 0.29 -0.67 1.19 -0.23 0.00 0.00 178.00 179.44 2yre n PHE 69 N -3.60 -1.50 -3.70 1.56 3.01 -1.26 -4.89 117.46 107.08 2yre n PHE 69 Ca -0.01 0.44 -0.11 0.00 1.01 0.00 0.00 57.45 58.78 2yre n PHE 69 Cb 0.42 -1.86 -0.11 0.00 -0.01 0.00 0.00 39.48 37.93 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 -1.82 -0.02 0.25 4.37 -4.23 -1.26 -2.91 115.64 110.02 2yre s THR 70 Ca 0.64 0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 2yre s THR 70 Cb -0.46 -0.62 0.05 0.00 1.34 0.00 0.00 72.50 72.81 2yre s THR 70 CO 0.59 0.03 0.67 1.15 -0.54 0.00 0.00 174.62 176.52 2yre n MET 71 N 3.98 0.76 -2.08 3.99 0.00 -0.53 -4.94 117.12 118.30 2yre n MET 71 Ca -0.21 -1.54 -0.39 0.00 0.00 0.00 0.00 57.70 55.56 2yre n MET 71 Cb 0.56 1.96 -0.01 0.00 0.00 0.00 0.00 33.22 35.73 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 -1.82 3.28 0.66 3.17 0.00 -1.26 -0.48 121.76 125.31 2yre s ALA 72 Ca 0.14 1.22 0.21 0.00 0.00 0.00 0.00 51.96 53.52 2yre s ALA 72 Cb -0.03 -3.48 1.12 0.00 0.00 0.00 0.00 23.12 20.73 2yre s ALA 72 CO 0.08 -0.78 1.63 0.00 0.00 0.00 0.00 175.76 176.69 2yre h ARG 73 N 2.76 0.00 0.00 0.00 3.08 -0.73 1.20 114.38 120.69 2yre h ARG 73 Ca -0.49 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 2yre h ARG 73 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 2yre h ARG 73 CO 0.63 0.00 -1.95 -1.71 -1.07 0.00 0.00 179.97 175.86 2yre n ASN 74 N -2.77 0.16 0.04 7.04 5.15 -0.25 -4.32 115.26 120.32 2yre n ASN 74 Ca -0.01 0.07 -0.11 0.00 -0.60 0.00 0.00 54.58 53.92 2yre n ASN 74 Cb 0.58 1.41 -0.13 0.00 -0.53 0.00 0.00 39.78 41.10 2yre n ASN 74 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yre h LYS 75 N 0.00 0.10 -0.79 1.20 1.79 0.10 -3.32 116.57 115.66 2yre h LYS 75 Ca -0.16 -0.18 0.23 0.00 -2.18 0.00 0.00 60.65 58.36 2yre h LYS 75 Cb 1.39 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.07 2yre h LYS 75 CO 0.01 0.93 1.01 -0.39 -1.08 0.00 0.00 179.45 179.93 2yre h VAL 76 N 0.03 0.08 0.16 0.50 -1.51 -0.73 -1.30 116.25 113.48 2yre h VAL 76 Ca -0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2yre h VAL 76 Cb 1.93 0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2yre h VAL 76 CO 0.13 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 176.38 2yre h ALA 77 N 0.72 -0.99 -1.58 5.19 0.00 -1.83 0.33 119.26 121.09 2yre h ALA 77 Ca 0.38 -0.05 0.46 0.00 0.00 0.00 0.00 54.91 55.70 2yre h ALA 77 Cb 2.39 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 20.30 2yre h ALA 77 CO -0.00 -0.98 1.13 0.93 0.00 0.00 0.00 179.25 180.33 2yre h GLU 78 N -0.24 0.01 0.07 0.00 3.07 -1.50 0.51 114.58 116.50 2yre h GLU 78 Ca -0.02 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 2yre h GLU 78 Cb 0.19 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2yre h GLU 78 CO 0.03 0.01 -0.57 1.25 -1.40 0.00 0.00 179.01 178.32 2yre h HIS 79 N 0.01 0.44 -1.13 4.33 -0.00 -1.45 -3.30 115.15 114.06 2yre h HIS 79 Ca 0.76 -0.29 0.35 0.00 -0.00 0.00 0.00 60.37 61.19 2yre h HIS 79 Cb 3.02 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 30.27 2yre h HIS 79 CO -0.00 1.18 0.70 -0.07 -0.00 0.00 0.00 177.93 179.74 2yre h LEU 80 N -0.43 0.40 -0.60 0.26 3.38 0.40 0.62 115.31 119.35 2yre h LEU 80 Ca -0.09 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2yre h LEU 80 Cb 1.40 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2yre h LEU 80 CO 0.11 -0.09 0.38 -0.33 0.09 0.00 0.00 178.44 178.60 2yre h GLU 81 N 0.26 0.73 -0.48 1.13 5.08 -1.57 -2.23 114.58 117.50 2yre h GLU 81 Ca 0.72 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 2yre h GLU 81 Cb 1.95 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2yre h GLU 81 CO -0.45 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2yre n MET 82 N -4.72 4.26 -3.15 2.33 0.00 0.17 -4.69 117.12 111.32 2yre n MET 82 Ca 0.05 -3.06 -0.39 0.00 0.00 0.00 0.00 57.70 54.30 2yre n MET 82 Cb 0.06 -2.12 -0.05 0.00 0.00 0.00 0.00 33.22 31.10 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 6.80 0.93 0.00 0.00 0.13 -1.89 -2.92 132.00 135.05 2yre h PRO 84 Ca -0.40 -0.49 -0.00 0.00 -0.87 0.00 0.00 66.00 64.23 2yre h PRO 84 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yre h PRO 84 CO 0.76 1.15 -0.01 0.00 -0.23 0.00 0.00 178.00 179.67 2yre h ALA 85 N 0.77 1.05 0.00 -0.56 0.00 -1.93 -0.57 119.26 118.02 2yre h ALA 85 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2yre h ALA 85 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2yre h ALA 85 CO 0.09 0.01 0.00 0.77 0.00 0.00 0.00 179.25 180.12 2yre h SER 86 N 0.00 0.00 -5.82 0.00 0.02 -1.81 -3.46 113.55 102.48 2yre h SER 86 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2yre h SER 86 Cb 0.09 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.46 2yre h SER 86 CO 0.00 0.00 -0.54 1.33 -1.14 0.00 0.00 176.83 176.48 2yre n VAL 87 N -2.51 -0.29 -0.08 2.27 0.24 -0.22 -4.74 118.33 113.00 2yre n VAL 87 Ca 0.02 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2yre n VAL 87 Cb 0.26 -0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 32.15 2yre n VAL 87 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2yre n SER 88 N -1.31 1.58 0.00 -1.34 2.88 -1.26 -5.14 113.62 109.03 2yre n SER 88 Ca -0.06 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2yre n SER 88 Cb 0.33 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2yre n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yre n GLY 89 N 1.82 4.39 3.63 0.46 0.00 -1.26 -5.14 105.19 109.08 2yre n GLY 89 Ca -0.28 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.99 -0.58 -0.07 1.61 0.04 -1.26 -4.89 135.00 126.85 2yre s PRO 90 Ca 0.00 0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.11 2yre s PRO 90 Cb 0.00 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.91 2yre s PRO 90 CO 0.00 -3.33 0.24 0.45 0.04 0.00 0.00 177.00 174.39 2yre s SER 91 N -3.71 -0.21 -0.39 6.66 0.15 -1.26 -5.12 113.70 109.81 2yre s SER 91 Ca 0.69 0.37 -0.09 0.00 0.70 0.00 0.00 55.95 57.62 2yre s SER 91 Cb -0.13 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 2yre s SER 91 CO 0.57 -0.15 0.22 -0.55 1.20 0.00 0.00 173.24 174.53 2yre s SER 92 N -0.17 5.57 0.00 5.45 0.15 -1.26 -5.14 113.70 118.30 2yre s SER 92 Ca -0.03 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.25 2yre s SER 92 Cb -0.03 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2yre s SER 92 CO 0.01 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.59