#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 -0.07 -0.06 1.61 1.04 -1.26 -5.17 113.70 109.79 2yre s SER -5 Ca 0.00 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 2yre s SER -5 Cb 0.00 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2yre s SER -5 CO 0.00 -0.82 0.15 -0.44 0.98 0.00 0.00 173.24 173.11 2yre s SER -4 N -2.85 -0.15 0.00 7.02 0.01 -1.26 -5.15 113.70 111.33 2yre s SER -4 Ca 0.05 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2yre s SER -4 Cb 0.03 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2yre s SER -4 CO -0.10 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2yre n GLY -3 N 3.23 2.81 3.63 3.44 0.00 -1.26 -5.18 105.19 111.86 2yre n GLY -3 Ca -0.15 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.70 0.13 1.61 0.01 -1.26 -5.18 113.70 108.31 2yre s SER -2 Ca 0.00 1.29 -0.25 0.00 1.31 0.00 0.00 55.95 58.30 2yre s SER -2 Cb 0.00 1.30 0.08 0.00 0.21 0.00 0.00 66.02 67.61 2yre s SER -2 CO 0.00 -0.22 1.05 -0.44 0.41 0.00 0.00 173.24 174.04 2yre s SER -1 N 0.62 -0.10 0.00 2.44 0.01 -1.26 -5.18 113.70 110.22 2yre s SER -1 Ca -0.02 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2yre s SER -1 Cb -0.05 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2yre s SER -1 CO -0.05 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2yre n GLY 0 N -0.55 2.04 3.04 3.44 0.00 -1.26 -5.15 105.19 106.76 2yre n GLY 0 Ca -0.05 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2yre n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2yre s MET 1 N -0.51 2.41 -0.06 1.61 1.00 -1.26 -5.10 119.30 117.39 2yre s MET 1 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 55.69 55.05 2yre s MET 1 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 34.83 32.65 2yre s MET 1 CO 0.00 -0.24 0.03 -1.83 0.00 0.00 0.00 175.02 172.97 2yre s GLU 2 N 1.45 0.33 -0.13 2.03 -1.05 -1.26 -5.13 118.70 114.93 2yre s GLU 2 Ca 0.05 0.21 -0.07 0.00 -0.15 0.00 0.00 54.97 55.01 2yre s GLU 2 Cb -0.13 -0.80 0.05 0.00 -0.44 0.00 0.00 34.13 32.82 2yre s GLU 2 CO -0.11 -0.32 0.32 -1.21 0.95 0.00 0.00 175.26 174.90 2yre s GLU 3 N 2.05 0.30 -0.09 -4.83 2.02 -1.26 -5.15 118.70 111.73 2yre s GLU 3 Ca 0.05 0.64 -0.10 0.00 0.02 0.00 0.00 54.97 55.58 2yre s GLU 3 Cb -0.12 -0.07 -0.05 0.00 0.10 0.00 0.00 34.13 33.99 2yre s GLU 3 CO -0.04 -0.16 0.23 -2.00 0.02 0.00 0.00 175.26 173.31 2yre s GLU 4 N 1.29 3.68 0.48 1.61 2.56 -1.26 -5.10 118.70 121.96 2yre s GLU 4 Ca -0.09 0.05 0.03 0.00 0.00 0.00 0.00 54.97 54.96 2yre s GLU 4 Cb -0.09 -3.23 -0.03 0.00 2.00 0.00 0.00 34.13 32.78 2yre s GLU 4 CO -0.10 0.69 0.01 -0.51 -0.56 0.00 0.00 175.26 174.79 2yre s LEU 5 N -0.87 2.49 1.11 2.70 1.43 -1.26 -5.13 118.68 119.16 2yre s LEU 5 Ca 0.17 -1.56 -0.18 0.00 -1.03 0.00 0.00 54.13 51.54 2yre s LEU 5 Cb -0.13 -0.80 0.11 0.00 0.03 0.00 0.00 46.19 45.40 2yre s LEU 5 CO 0.07 -0.72 0.08 0.00 0.23 0.00 0.00 176.35 176.00 2yre n GLN 6 N -1.18 -1.55 -4.94 1.70 1.13 -1.26 -5.00 117.38 106.29 2yre n GLN 6 Ca -0.14 -0.43 -0.33 0.00 -1.94 0.00 0.00 57.00 54.16 2yre n GLN 6 Cb 0.67 -1.73 -0.15 0.00 0.11 0.00 0.00 30.24 29.14 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2yre s HIS 7 N -2.25 2.69 0.50 1.08 3.76 -1.26 -5.00 115.29 114.80 2yre s HIS 7 Ca 0.57 -0.54 0.21 0.00 -0.15 0.00 0.00 55.06 55.15 2yre s HIS 7 Cb -0.13 -1.72 1.27 0.00 1.11 0.00 0.00 32.58 33.10 2yre s HIS 7 CO 0.66 -0.11 1.99 0.77 -0.85 0.00 0.00 174.74 177.21 2yre h SER 8 N 6.17 0.13 0.00 1.40 0.02 -1.79 0.22 113.55 119.70 2yre h SER 8 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2yre h SER 8 Cb 1.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2yre h SER 8 CO 0.52 0.07 -0.02 -0.74 -1.14 0.00 0.00 176.83 175.52 2yre h HIS 9 N 0.14 0.00 -0.96 3.45 -0.00 -1.87 -3.37 115.15 112.54 2yre h HIS 9 Ca 0.26 0.00 0.25 0.00 -0.00 0.00 0.00 60.37 60.87 2yre h HIS 9 Cb 0.82 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.06 2yre h HIS 9 CO -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 177.93 177.91 2yre h VAL 11 N 0.02 0.12 -0.88 0.00 -1.51 -1.13 0.61 116.25 113.47 2yre h VAL 11 Ca 0.55 -0.04 -0.61 0.00 -1.23 0.00 0.00 66.70 65.38 2yre h VAL 11 Cb 1.08 0.00 -0.37 0.00 -2.13 0.00 0.00 31.29 29.87 2yre h VAL 11 CO -0.90 0.02 -0.10 0.59 -1.23 0.00 0.00 177.57 175.95 2yre n ASN 12 N -5.26 6.10 -4.02 4.19 3.02 0.19 -4.96 115.26 114.52 2yre n ASN 12 Ca 0.31 -3.77 -0.27 0.00 -0.03 0.00 0.00 54.58 50.82 2yre n ASN 12 Cb 1.01 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 39.40 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 4.29 1.06 -3.61 0.00 0.24 -1.26 -4.93 118.33 114.12 2yre n VAL 14 Ca -0.19 -1.86 -0.37 0.00 -2.04 0.00 0.00 64.34 59.88 2yre n VAL 14 Cb 0.51 0.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 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 -2.44 6.16 0.04 -1.34 0.15 -1.26 -5.00 113.70 110.02 2yre s SER 15 Ca 0.31 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.86 2yre s SER 15 Cb 0.32 -2.13 -0.17 0.00 -1.71 0.00 0.00 66.02 62.33 2yre s SER 15 CO -0.09 0.03 1.48 0.03 1.20 0.00 0.00 173.24 175.90 2yre h ARG 16 N 7.56 -0.36 -1.09 5.44 -0.00 -1.97 -2.88 114.38 121.07 2yre h ARG 16 Ca -0.37 0.02 -0.31 0.00 -0.50 0.00 0.00 59.98 58.82 2yre h ARG 16 Cb 1.17 0.08 -0.17 0.00 0.00 0.00 0.00 29.97 31.05 2yre h ARG 16 CO 0.66 -0.13 0.40 0.54 0.00 0.00 0.00 179.97 181.44 2yre n ARG 17 N -5.18 1.76 -1.31 0.04 3.00 -1.26 -4.77 116.66 108.94 2yre n ARG 17 Ca -0.10 -1.74 -0.48 0.00 -0.01 0.00 0.00 57.85 55.52 2yre n ARG 17 Cb 0.22 -1.68 -0.13 0.00 0.00 0.00 0.00 32.46 30.87 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 7.64 2.22 -3.86 0.00 2.81 -1.26 -4.92 117.12 119.75 2yre n MET 19 Ca 0.58 -2.22 -0.35 0.00 -1.81 0.00 0.00 57.70 53.90 2yre n MET 19 Cb -0.00 -1.95 -0.09 0.00 -0.71 0.00 0.00 33.22 30.47 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 -2.77 5.14 -0.19 2.03 2.01 -1.26 -5.03 115.64 115.57 2yre s THR 20 Ca 0.48 0.09 -0.34 0.00 0.31 0.00 0.00 61.69 62.23 2yre s THR 20 Cb 0.35 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 69.42 2yre s THR 20 CO -0.12 0.46 1.99 -1.14 -0.69 0.00 0.00 174.62 175.12 2yre n ARG 21 N 3.45 1.77 -2.07 4.92 3.00 -1.26 -4.86 116.66 121.61 2yre n ARG 21 Ca -0.16 0.60 -0.41 0.00 -0.00 0.00 0.00 57.85 57.88 2yre n ARG 21 Cb 0.52 -2.62 -0.03 0.00 0.00 0.00 0.00 32.46 30.34 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yre s PRO 22 N 4.86 3.09 0.50 -0.14 0.04 -1.26 -4.53 135.00 137.55 2yre s PRO 22 Ca 0.99 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 2yre s PRO 22 Cb -0.73 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 29.55 2yre s PRO 22 CO 0.51 -2.16 0.78 -1.21 0.04 0.00 0.00 177.00 174.95 2yre s GLU 23 N 6.10 3.22 0.00 4.56 0.41 0.70 -4.81 118.70 128.89 2yre s GLU 23 Ca 0.72 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.22 2yre s GLU 23 Cb -0.17 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2yre s GLU 23 CO 0.28 -0.36 0.43 -0.35 -0.49 0.00 0.00 175.26 174.77 2yre n PRO 24 N -2.29 0.49 0.09 0.39 -0.04 -1.26 -4.04 135.00 128.33 2yre n PRO 24 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2yre n PRO 24 Cb 0.57 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.05 -1.11 0.00 0.55 0.00 -1.26 -5.04 105.19 98.38 2yre n GLY 25 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.84 0.00 -4.14 -0.61 -0.00 -1.26 -4.50 119.36 106.01 2yre n ILE 26 Ca 0.00 1.10 -0.29 0.00 -0.00 0.00 0.00 62.75 63.57 2yre n ILE 26 Cb 0.00 -2.10 -0.08 0.00 -0.00 0.00 0.00 39.64 37.47 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 -2.01 5.02 0.34 4.38 0.15 -1.26 -3.37 113.70 116.95 2yre s SER 27 Ca 0.00 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.47 2yre s SER 27 Cb 0.00 -1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 63.07 2yre s SER 27 CO 0.00 0.14 0.04 0.00 1.20 0.00 0.00 173.24 174.62 2yre s ASP 29 N -3.54 3.31 0.10 0.00 1.01 -1.26 -4.71 116.67 111.58 2yre s ASP 29 Ca 0.36 2.15 0.03 0.00 0.71 0.00 0.00 52.55 55.80 2yre s ASP 29 Cb 0.09 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2yre s ASP 29 CO 0.16 -2.85 0.11 -0.76 0.21 0.00 0.00 175.17 172.04 2yre s LEU 30 N -6.35 3.87 -0.13 1.23 1.43 -1.26 -2.24 118.68 115.23 2yre s LEU 30 Ca 0.67 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2yre s LEU 30 Cb -0.22 -2.52 0.06 0.00 0.03 0.00 0.00 46.19 43.53 2yre s LEU 30 CO 0.56 0.14 0.29 0.27 0.23 0.00 0.00 176.35 177.85 2yre s ILE 31 N -1.49 -0.15 0.34 -0.59 -5.25 -1.00 -4.79 121.20 108.27 2yre s ILE 31 Ca 0.30 0.16 -0.28 0.00 -0.99 0.00 0.00 60.65 59.85 2yre s ILE 31 Cb -0.12 -0.46 -0.10 0.00 2.95 0.00 0.00 42.46 44.74 2yre s ILE 31 CO 0.23 0.07 1.29 -0.83 -1.79 0.00 0.00 174.94 173.91 2yre s GLY 32 N 1.60 2.99 0.07 6.27 0.00 -1.26 -3.76 107.32 113.23 2yre s GLY 32 Ca -0.07 1.22 -0.33 0.00 0.00 0.00 0.00 44.72 45.54 2yre s GLY 32 CO -0.10 1.85 0.80 0.00 0.00 0.00 0.00 173.10 175.66 2yre n PRO 34 N 1.22 0.49 -0.07 0.00 -0.04 -1.26 -1.94 135.00 133.40 2yre n PRO 34 Ca 0.18 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2yre n PRO 34 Cb 0.14 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.87 2.16 -3.47 1.53 4.77 -1.26 -4.98 117.00 114.88 2yre n LEU 35 Ca 0.09 -2.76 -0.23 0.00 -0.03 0.00 0.00 56.01 53.07 2yre n LEU 35 Cb 0.04 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2yre n LEU 35 CO 0.07 0.64 -0.06 1.33 -1.33 0.00 0.00 177.39 178.04 2yre n VAL 36 N -1.18 -0.54 0.26 4.08 0.24 -0.82 -4.77 118.33 115.60 2yre n VAL 36 Ca 0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 2yre n VAL 36 Cb 0.56 -1.12 0.73 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.94 0.54 3.51 0.00 0.00 -1.26 -5.06 105.19 101.98 2yre n GLY 38 Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.09 -1.54 -0.29 4.61 0.00 -1.26 -5.09 121.76 117.10 2yre s ALA 39 Ca 0.00 1.94 -0.08 0.00 0.00 0.00 0.00 51.96 53.81 2yre s ALA 39 Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 2yre s ALA 39 CO 0.00 -0.32 0.12 0.08 0.00 0.00 0.00 175.76 175.64 2yre s VAL 40 N 1.05 4.42 0.10 0.00 1.01 -1.26 -2.60 120.40 123.12 2yre s VAL 40 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2yre s VAL 40 Cb -0.05 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2yre s VAL 40 CO -0.10 0.15 -0.08 0.72 0.00 0.00 0.00 175.10 175.79 2yre s PHE 41 N 1.60 0.95 0.22 5.22 -0.71 -1.25 -4.37 117.98 119.64 2yre s PHE 41 Ca 0.05 -0.77 -0.32 0.00 -1.04 0.00 0.00 56.93 54.85 2yre s PHE 41 Cb -0.16 -0.53 -0.12 0.00 -1.21 0.00 0.00 43.02 40.99 2yre s PHE 41 CO 0.05 -0.07 1.71 0.72 -1.34 0.00 0.00 175.22 176.29 2yre n HIS 42 N 0.31 2.79 -0.24 3.49 8.25 -1.26 -2.37 115.22 126.19 2yre n HIS 42 Ca -0.14 0.06 0.19 0.00 -0.26 0.00 0.00 57.72 57.57 2yre n HIS 42 Cb 0.59 -2.67 0.36 0.00 1.12 0.00 0.00 29.99 29.39 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 3.70 0.14 -0.07 0.41 3.41 -0.95 0.23 113.62 120.50 2yre n SER 43 Ca 0.15 1.21 -0.11 0.00 -0.26 0.00 0.00 58.87 59.85 2yre n SER 43 Cb 0.35 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.13 1.05 -0.72 0.00 1.79 0.26 -2.92 116.57 116.16 2yre h LYS 45 Ca 0.06 -0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2yre h LYS 45 Cb 0.40 -0.24 -0.09 0.00 -1.58 0.00 0.00 32.23 30.72 2yre h LYS 45 CO 0.01 0.70 -0.41 0.00 -1.08 0.00 0.00 179.45 178.67 2yre n ALA 46 N -2.36 -0.41 -0.30 3.86 0.00 -0.52 0.77 120.51 121.55 2yre n ALA 46 Ca 0.16 0.63 0.04 0.00 0.00 0.00 0.00 53.44 54.27 2yre n ALA 46 Cb 0.23 -0.14 0.11 0.00 0.00 0.00 0.00 19.45 19.64 2yre n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2yre n ASP 47 N -4.93 -0.34 -0.03 0.00 -0.08 -1.10 -0.28 116.55 109.79 2yre n ASP 47 Ca 0.02 1.44 -0.11 0.00 -1.51 0.00 0.00 54.79 54.64 2yre n ASP 47 Cb 0.20 -0.42 -0.09 0.00 2.34 0.00 0.00 41.12 43.15 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2yre h GLU 48 N 0.00 -0.06 -0.98 -0.67 4.39 0.17 -3.34 114.58 114.10 2yre h GLU 48 Ca 0.39 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.28 2yre h GLU 48 Cb 0.60 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 29.07 2yre h GLU 48 CO -0.86 0.56 -0.25 1.25 -1.16 0.00 0.00 179.01 178.55 2yre h HIS 49 N -0.92 -0.55 -1.02 4.33 -0.00 0.12 0.89 115.15 118.01 2yre h HIS 49 Ca -0.01 0.09 0.32 0.00 -0.00 0.00 0.00 60.37 60.77 2yre h HIS 49 Cb 0.64 0.39 -0.15 0.00 -0.00 0.00 0.00 27.41 28.30 2yre h HIS 49 CO 0.16 -0.42 0.59 0.00 -0.00 0.00 0.00 177.93 178.25 2yre h ARG 50 N -0.00 0.32 -0.51 5.26 3.08 -0.76 0.43 114.38 122.20 2yre h ARG 50 Ca 0.46 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.58 2yre h ARG 50 Cb 0.71 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 2yre h ARG 50 CO -1.01 0.21 0.13 -0.07 -1.07 0.00 0.00 179.97 178.17 2yre h LEU 51 N 0.33 0.07 0.00 3.04 3.38 0.68 -3.14 115.31 119.66 2yre h LEU 51 Ca 0.73 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.77 2yre h LEU 51 Cb 1.69 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 2yre h LEU 51 CO -0.58 0.06 -0.09 -0.07 0.09 0.00 0.00 178.44 177.85 2yre h LEU 52 N 0.28 0.00 -4.86 1.67 4.07 -0.42 -3.47 115.31 112.58 2yre h LEU 52 Ca 0.25 -0.64 -0.43 0.00 0.08 0.00 0.00 57.88 57.15 2yre h LEU 52 Cb 0.32 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.09 2yre h LEU 52 CO -0.30 0.87 0.03 0.00 -1.08 0.00 0.00 178.44 177.96 2yre h PRO 54 N 1.61 0.15 -0.99 0.00 0.13 -1.90 -3.19 132.00 127.80 2yre h PRO 54 Ca -0.27 -0.08 0.32 0.00 -0.87 0.00 0.00 66.00 65.09 2yre h PRO 54 Cb 0.77 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.76 2yre h PRO 54 CO 0.35 0.60 0.53 0.74 -0.23 0.00 0.00 178.00 179.99 2yre h PHE 55 N -0.29 0.86 -1.36 1.56 -1.00 -1.93 0.14 116.94 114.93 2yre h PHE 55 Ca 0.01 0.04 -0.69 0.00 2.81 0.00 0.00 57.97 60.14 2yre h PHE 55 Cb 0.57 -0.22 0.09 0.00 3.61 0.00 0.00 35.95 40.00 2yre h PHE 55 CO 0.09 -0.20 -0.11 -1.91 -1.61 0.00 0.00 178.31 174.57 2yre n GLU 56 N -5.08 0.41 -1.70 1.51 4.07 -1.21 -4.23 120.64 114.41 2yre n GLU 56 Ca 0.31 0.14 -0.43 0.00 -0.06 0.00 0.00 57.16 57.12 2yre n GLU 56 Cb 0.97 -1.44 -0.03 0.00 -0.06 0.00 0.00 31.44 30.88 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 1.31 2.61 -3.85 5.31 0.63 -1.26 -3.71 116.66 117.70 2yre n ARG 57 Ca 0.17 0.94 -0.12 0.00 -0.92 0.00 0.00 57.85 57.93 2yre n ARG 57 Cb 0.21 -2.79 -0.12 0.00 0.45 0.00 0.00 32.46 30.22 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 1.62 0.03 0.47 5.15 -7.23 0.41 -4.95 120.40 115.91 2yre s VAL 58 Ca 0.78 -0.26 -0.22 0.00 -1.81 0.00 0.00 61.98 60.47 2yre s VAL 58 Cb -0.55 -0.27 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 2yre s VAL 58 CO 0.36 -0.14 1.16 -2.16 -0.31 0.00 0.00 175.10 174.00 2yre s PRO 59 N -0.45 3.70 0.21 4.82 0.04 -1.26 -1.72 135.00 140.35 2yre s PRO 59 Ca -0.05 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 2yre s PRO 59 Cb -0.03 -2.35 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 2yre s PRO 59 CO 0.01 -0.59 0.77 0.00 0.04 0.00 0.00 177.00 177.22 2yre h LEU 61 N 1.68 0.44 -3.56 0.00 3.38 -1.94 0.93 115.31 116.25 2yre h LEU 61 Ca -0.35 0.13 -0.42 0.00 0.09 0.00 0.00 57.88 57.33 2yre h LEU 61 Cb 1.40 0.08 -0.22 0.00 0.09 0.00 0.00 40.66 42.00 2yre h LEU 61 CO 0.60 -0.04 0.54 -0.46 0.09 0.00 0.00 178.44 179.17 2yre n ASN 62 N -4.79 4.85 -0.27 -0.43 0.23 -1.26 -4.50 115.26 109.08 2yre n ASN 62 Ca 0.30 -3.26 -0.01 0.00 -0.53 0.00 0.00 54.58 51.07 2yre n ASN 62 Cb 1.02 -0.85 0.18 0.00 -2.08 0.00 0.00 39.78 38.05 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 1.10 0.98 -0.53 0.53 0.87 0.62 -1.58 113.55 115.54 2yre h SER 63 Ca 0.46 -0.05 0.15 0.00 -1.23 0.00 0.00 61.79 61.12 2yre h SER 63 Cb 1.82 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 2yre h SER 63 CO 0.94 0.75 0.50 -2.24 -0.53 0.00 0.00 176.83 176.25 2yre h ASP 64 N 1.13 0.00 0.14 6.23 2.03 -1.81 0.20 116.42 124.33 2yre h ASP 64 Ca 0.30 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.36 2yre h ASP 64 Cb -0.05 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2yre h ASP 64 CO -0.06 0.00 -0.93 -0.26 -1.03 0.00 0.00 179.24 176.97 2yre h PHE 65 N 0.00 0.82 0.00 4.15 -1.00 -1.65 -3.47 116.94 115.80 2yre h PHE 65 Ca 0.25 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.61 2yre h PHE 65 Cb 1.26 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.71 2yre h PHE 65 CO 0.00 1.25 0.00 0.41 -1.61 0.00 0.00 178.31 178.36 2yre n GLY 66 N 0.91 0.51 3.53 -1.45 0.00 0.70 -5.12 105.19 104.27 2yre n GLY 66 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 8.62 0.00 -6.27 0.00 0.13 -1.95 -3.41 132.00 129.12 2yre h PRO 68 Ca -0.27 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.19 2yre h PRO 68 Cb 1.12 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 68 CO 0.80 0.38 0.18 1.19 -0.23 0.00 0.00 178.00 180.32 2yre n PHE 69 N -3.76 1.08 -3.81 1.56 3.72 -1.26 -4.91 117.46 110.07 2yre n PHE 69 Ca -0.01 0.75 -0.17 0.00 -0.05 0.00 0.00 57.45 57.97 2yre n PHE 69 Cb 0.46 -2.23 -0.16 0.00 -0.94 0.00 0.00 39.48 36.60 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 -0.22 0.03 0.25 4.37 -4.23 -1.26 -2.68 115.64 111.90 2yre s THR 70 Ca 0.75 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 2yre s THR 70 Cb -0.91 -0.17 0.05 0.00 1.34 0.00 0.00 72.50 72.81 2yre s THR 70 CO 0.53 0.13 0.67 1.15 -0.54 0.00 0.00 174.62 176.56 2yre n MET 71 N 4.34 0.75 -1.50 3.99 0.00 -0.70 -4.92 117.12 119.09 2yre n MET 71 Ca -0.24 -1.53 -0.36 0.00 0.00 0.00 0.00 57.70 55.58 2yre n MET 71 Cb 0.50 1.95 0.09 0.00 0.00 0.00 0.00 33.22 35.76 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 2.17 0.31 3.17 0.00 -1.26 -0.44 121.76 123.88 2yre s ALA 72 Ca 0.14 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.18 2yre s ALA 72 Cb -0.03 -3.53 0.51 0.00 0.00 0.00 0.00 23.12 20.07 2yre s ALA 72 CO 0.08 -1.86 1.86 -0.09 0.00 0.00 0.00 175.76 175.75 2yre h ARG 73 N -0.02 0.70 -0.22 0.00 2.43 -0.79 0.17 114.38 116.65 2yre h ARG 73 Ca -0.49 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2yre h ARG 73 Cb 1.32 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2yre h ARG 73 CO 0.50 0.65 0.00 0.27 -1.51 0.00 0.00 179.97 179.88 2yre n ASN 74 N -4.29 1.21 0.00 -3.80 0.23 -1.26 -3.49 115.26 103.86 2yre n ASN 74 Ca 0.03 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 2yre n ASN 74 Cb 0.21 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2yre n ASN 74 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2yre n LYS 75 N 0.15 0.74 -0.26 -3.83 3.00 -0.48 -4.73 118.16 112.75 2yre n LYS 75 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.46 2yre n LYS 75 Cb 0.20 -0.97 0.20 0.00 0.00 0.00 0.00 35.03 34.46 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2yre h VAL 76 N 0.00 0.49 -0.36 3.15 2.07 -1.05 -2.42 116.25 118.12 2yre h VAL 76 Ca 0.00 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2yre h VAL 76 Cb 0.10 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 2yre h VAL 76 CO 0.00 0.05 -0.29 0.00 0.02 0.00 0.00 177.57 177.35 2yre h ALA 77 N 1.64 -0.41 -1.83 1.67 0.00 -1.85 0.78 119.26 119.27 2yre h ALA 77 Ca 0.44 0.03 0.53 0.00 0.00 0.00 0.00 54.91 55.91 2yre h ALA 77 Cb 0.78 1.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 2yre h ALA 77 CO -0.53 -0.58 1.40 0.93 0.00 0.00 0.00 179.25 180.47 2yre h GLU 78 N -0.10 0.00 0.12 0.00 4.39 -1.77 1.28 114.58 118.50 2yre h GLU 78 Ca 0.06 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.40 2yre h GLU 78 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2yre h GLU 78 CO -0.39 0.00 -1.94 1.25 -1.16 0.00 0.00 179.01 176.77 2yre h HIS 79 N 0.00 0.45 -0.62 4.33 -0.00 0.27 -3.38 115.15 116.21 2yre h HIS 79 Ca 0.87 -0.33 0.13 0.00 -0.00 0.00 0.00 60.37 61.03 2yre h HIS 79 Cb 3.66 -0.02 -0.11 0.00 -0.00 0.00 0.00 27.41 30.94 2yre h HIS 79 CO 0.00 1.70 -0.08 -0.07 -0.00 0.00 0.00 177.93 179.48 2yre h LEU 80 N 0.07 -0.43 -1.71 0.26 3.38 0.61 1.50 115.31 118.99 2yre h LEU 80 Ca -0.40 0.17 0.19 0.00 0.09 0.00 0.00 57.88 57.93 2yre h LEU 80 Cb 2.04 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 43.07 2yre h LEU 80 CO 0.10 -0.16 0.53 1.05 0.09 0.00 0.00 178.44 180.05 2yre h GLU 81 N 0.05 0.25 -0.33 1.13 4.11 -1.62 0.17 114.58 118.35 2yre h GLU 81 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.73 2yre h GLU 81 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2yre h GLU 81 CO -0.59 0.17 0.00 0.00 0.07 0.00 0.00 179.01 178.66 2yre n MET 82 N -4.43 2.90 -2.75 1.06 0.00 0.13 -4.99 117.12 109.04 2yre n MET 82 Ca 0.16 -2.25 -0.41 0.00 0.00 0.00 0.00 57.70 55.20 2yre n MET 82 Cb 0.67 -1.42 -0.05 0.00 0.00 0.00 0.00 33.22 32.43 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 5.34 -0.05 -0.21 0.00 0.13 -1.88 -3.10 132.00 132.23 2yre h PRO 84 Ca -0.43 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2yre h PRO 84 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2yre h PRO 84 CO 0.71 0.42 0.22 0.00 -0.23 0.00 0.00 178.00 179.12 2yre h ALA 85 N 0.38 1.85 0.00 -0.56 0.00 -1.94 0.12 119.26 119.12 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2yre h ALA 85 CO 0.01 -0.33 0.00 0.77 0.00 0.00 0.00 179.25 179.70 2yre h SER 86 N 0.00 0.00 -5.10 0.00 0.02 -1.84 -3.45 113.55 103.17 2yre h SER 86 Ca 0.10 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.81 2yre h SER 86 Cb 0.55 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.94 2yre h SER 86 CO -0.00 0.00 -0.34 1.33 -1.14 0.00 0.00 176.83 176.67 2yre n VAL 87 N -2.76 0.00 -2.92 2.27 0.24 0.42 -4.85 118.33 110.73 2yre n VAL 87 Ca -0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 2yre n VAL 87 Cb 0.13 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.11 5.62 0.32 -1.34 1.04 -1.26 -4.97 113.70 111.00 2yre s SER 88 Ca 0.32 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2yre s SER 88 Cb -0.19 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2yre s SER 88 CO 0.39 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2yre n GLY 89 N -2.09 -2.54 0.04 7.32 0.00 -1.26 -4.29 105.19 102.37 2yre n GLY 89 Ca 0.04 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.59 0.06 -2.84 1.61 -0.04 -1.26 -4.31 135.00 124.64 2yre n PRO 90 Ca -0.03 0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 63.30 2yre n PRO 90 Cb 0.42 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2yre n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yre s SER 91 N -3.39 6.96 -0.01 3.54 0.01 -1.26 -4.95 113.70 114.61 2yre s SER 91 Ca 0.06 -2.73 0.02 0.00 1.31 0.00 0.00 55.95 54.61 2yre s SER 91 Cb 0.09 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.87 2yre s SER 91 CO 0.30 -0.90 -0.07 -0.94 0.41 0.00 0.00 173.24 172.03 2yre s SER 92 N 3.32 0.92 0.00 2.44 1.04 -1.26 -4.82 113.70 115.34 2yre s SER 92 Ca 0.45 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2yre s SER 92 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2yre s SER 92 CO 0.01 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.92