#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 -0.40 -0.07 1.61 0.01 -1.26 -5.16 113.70 108.43 2yre s SER -5 Ca 0.00 0.83 -0.31 0.00 1.31 0.00 0.00 55.95 57.78 2yre s SER -5 Cb 0.00 0.78 0.12 0.00 0.21 0.00 0.00 66.02 67.13 2yre s SER -5 CO 0.00 -0.20 1.01 -0.55 0.41 0.00 0.00 173.24 173.92 2yre s SER -4 N 1.59 -0.27 0.00 2.44 0.15 -1.26 -5.18 113.70 111.17 2yre s SER -4 Ca -0.08 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2yre s SER -4 Cb -0.09 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2yre s SER -4 CO -0.12 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2yre n GLY -3 N -0.19 4.26 3.00 9.45 0.00 -1.26 -5.15 105.19 115.30 2yre n GLY -3 Ca -0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 0.02 -0.29 1.61 0.01 -1.26 -5.14 113.70 108.65 2yre s SER -2 Ca 0.00 0.44 -0.16 0.00 1.31 0.00 0.00 55.95 57.54 2yre s SER -2 Cb 0.00 1.24 0.11 0.00 0.21 0.00 0.00 66.02 67.58 2yre s SER -2 CO 0.00 -0.28 0.80 -0.55 0.41 0.00 0.00 173.24 173.62 2yre s SER -1 N 2.58 -0.78 -0.18 2.44 0.15 -1.26 -5.15 113.70 111.50 2yre s SER -1 Ca 0.10 1.24 -0.03 0.00 0.70 0.00 0.00 55.95 57.96 2yre s SER -1 Cb -0.15 1.39 0.06 0.00 -1.71 0.00 0.00 66.02 65.60 2yre s SER -1 CO -0.16 -0.19 0.03 -0.83 1.20 0.00 0.00 173.24 173.29 2yre s GLY 0 N 1.63 0.69 0.40 9.45 0.00 -1.26 -5.13 107.32 113.10 2yre s GLY 0 Ca -0.09 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.03 2yre s GLY 0 CO -0.18 1.37 0.14 1.06 0.00 0.00 0.00 173.10 175.49 2yre s MET 1 N 1.86 1.91 -0.01 2.90 1.00 -1.26 -5.16 119.30 120.54 2yre s MET 1 Ca -0.00 -2.16 0.05 0.00 0.00 0.00 0.00 55.69 53.58 2yre s MET 1 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 34.83 34.12 2yre s MET 1 CO -0.08 -0.50 -0.15 -1.83 0.00 0.00 0.00 175.02 172.47 2yre s GLU 2 N -3.69 2.33 -0.11 2.03 -1.05 -1.26 -5.12 118.70 111.84 2yre s GLU 2 Ca 0.25 -0.81 -0.12 0.00 -0.15 0.00 0.00 54.97 54.14 2yre s GLU 2 Cb 0.02 -2.31 -0.05 0.00 -0.44 0.00 0.00 34.13 31.36 2yre s GLU 2 CO 0.16 0.59 0.27 -1.83 0.95 0.00 0.00 175.26 175.39 2yre s GLU 3 N -1.07 3.92 -0.04 -4.83 -1.05 -1.26 -5.06 118.70 109.31 2yre s GLU 3 Ca 0.13 0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.75 2yre s GLU 3 Cb -0.11 -3.30 -0.03 0.00 -0.44 0.00 0.00 34.13 30.25 2yre s GLU 3 CO 0.03 0.52 1.13 -2.00 0.95 0.00 0.00 175.26 175.89 2yre s GLU 4 N -0.39 4.41 0.77 -4.83 2.56 -1.26 -5.04 118.70 114.92 2yre s GLU 4 Ca 0.17 1.59 -0.03 0.00 0.00 0.00 0.00 54.97 56.70 2yre s GLU 4 Cb -0.14 -3.51 0.14 0.00 2.00 0.00 0.00 34.13 32.63 2yre s GLU 4 CO 0.06 -0.34 1.06 -0.48 -0.56 0.00 0.00 175.26 175.00 2yre s LEU 5 N 1.83 2.92 0.51 2.70 2.34 -1.26 -5.12 118.68 122.60 2yre s LEU 5 Ca 0.54 -0.28 0.06 0.00 0.06 0.00 0.00 54.13 54.52 2yre s LEU 5 Cb -0.23 -1.99 0.02 0.00 -0.56 0.00 0.00 46.19 43.43 2yre s LEU 5 CO 0.23 -2.05 0.42 0.00 -1.06 0.00 0.00 176.35 173.89 2yre s GLN 6 N -5.29 2.32 -0.25 1.48 -2.07 -1.26 -5.10 119.66 109.50 2yre s GLN 6 Ca 0.68 -1.86 0.02 0.00 -1.82 0.00 0.00 55.36 52.38 2yre s GLN 6 Cb -0.05 -2.21 0.05 0.00 -1.09 0.00 0.00 33.01 29.71 2yre s GLN 6 CO 0.46 -0.51 -0.12 -1.01 -1.32 0.00 0.00 175.29 172.80 2yre s HIS 7 N -2.68 3.15 0.29 9.60 3.76 -1.26 -4.98 115.29 123.18 2yre s HIS 7 Ca 0.40 -2.10 0.09 0.00 -0.15 0.00 0.00 55.06 53.30 2yre s HIS 7 Cb -0.02 -1.95 0.89 0.00 1.11 0.00 0.00 32.58 32.61 2yre s HIS 7 CO 0.24 -0.85 1.38 0.45 -0.85 0.00 0.00 174.74 175.11 2yre n SER 8 N 4.50 0.08 0.08 1.40 2.88 -1.21 0.34 113.62 121.68 2yre n SER 8 Ca -0.16 1.47 -0.03 0.00 -1.33 0.00 0.00 58.87 58.82 2yre n SER 8 Cb 0.44 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.21 -0.64 0.66 -0.00 -1.66 -3.16 115.15 110.14 2yre h HIS 9 Ca 0.62 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 61.10 2yre h HIS 9 Cb 1.48 0.07 -0.12 0.00 -0.00 0.00 0.00 27.41 28.84 2yre h HIS 9 CO -0.25 -0.13 -0.36 0.00 -0.00 0.00 0.00 177.93 177.19 2yre h VAL 11 N -0.15 0.22 -0.47 0.00 -1.51 -0.24 0.65 116.25 114.75 2yre h VAL 11 Ca 0.24 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.36 2yre h VAL 11 Cb 0.56 0.34 -0.27 0.00 -2.13 0.00 0.00 31.29 29.79 2yre h VAL 11 CO -0.72 0.00 -0.70 -0.46 -1.23 0.00 0.00 177.57 174.46 2yre n ASN 12 N -3.64 3.74 -4.16 4.19 0.23 0.27 -5.01 115.26 110.88 2yre n ASN 12 Ca 0.19 -3.81 -0.26 0.00 -0.53 0.00 0.00 54.58 50.17 2yre n ASN 12 Cb 1.14 -0.41 -0.16 0.00 -2.08 0.00 0.00 39.78 38.27 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 2.93 0.00 -1.69 0.00 0.24 -1.26 -4.95 118.33 113.60 2yre n VAL 14 Ca -0.17 0.00 -0.57 0.00 -2.04 0.00 0.00 64.34 61.56 2yre n VAL 14 Cb 0.53 -0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.33 2.15 0.06 -1.34 7.64 -1.26 -4.86 113.62 114.68 2yre n SER 15 Ca 0.00 1.09 -0.13 0.00 1.01 0.00 0.00 58.87 60.84 2yre n SER 15 Cb 0.21 -1.13 -0.08 0.00 -1.01 0.00 0.00 64.21 62.20 2yre n SER 15 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2yre h ARG 16 N 6.56 -0.09 -1.63 1.43 2.43 -1.97 -2.89 114.38 118.21 2yre h ARG 16 Ca -0.47 0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.40 2yre h ARG 16 Cb 1.33 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.77 2yre h ARG 16 CO 0.93 0.09 0.35 -2.13 -1.51 0.00 0.00 179.97 177.70 2yre n ARG 17 N -5.06 1.79 -1.68 0.20 3.00 -1.26 -4.79 116.66 108.87 2yre n ARG 17 Ca -0.08 -1.48 -0.39 0.00 -0.00 0.00 0.00 57.85 55.90 2yre n ARG 17 Cb 0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 32.46 30.94 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 8.89 2.52 -3.18 0.00 0.00 -1.26 -4.90 117.12 119.19 2yre n MET 19 Ca 0.31 -2.91 -0.40 0.00 0.00 0.00 0.00 57.70 54.71 2yre n MET 19 Cb 0.51 -2.15 -0.07 0.00 0.00 0.00 0.00 33.22 31.51 2yre n MET 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2yre s THR 20 N -3.95 5.05 -0.43 3.17 2.01 -1.26 -4.99 115.64 115.24 2yre s THR 20 Ca 0.54 1.03 -0.45 0.00 0.31 0.00 0.00 61.69 63.13 2yre s THR 20 Cb 0.42 -3.88 -0.19 0.00 0.01 0.00 0.00 72.50 68.86 2yre s THR 20 CO -0.21 0.10 1.65 -1.14 -0.69 0.00 0.00 174.62 174.33 2yre n ARG 21 N 5.26 0.37 -2.07 4.92 0.63 -1.26 -4.80 116.66 119.72 2yre n ARG 21 Ca -0.03 0.14 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 2yre n ARG 21 Cb 0.50 -1.70 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 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 3.18 3.06 -0.10 -0.14 0.04 -1.26 -4.78 135.00 135.00 2yre s PRO 22 Ca 1.03 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2yre s PRO 22 Cb -1.36 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 28.88 2yre s PRO 22 CO 0.77 -2.19 0.15 -2.00 0.04 0.00 0.00 177.00 173.76 2yre s GLU 23 N 6.15 3.44 -0.93 4.56 2.56 0.59 -4.84 118.70 130.24 2yre s GLU 23 Ca 0.72 -0.15 -0.24 0.00 0.00 0.00 0.00 54.97 55.29 2yre s GLU 23 Cb -0.17 -3.18 -0.05 0.00 2.00 0.00 0.00 34.13 32.73 2yre s GLU 23 CO 0.28 0.77 1.94 -1.25 -0.56 0.00 0.00 175.26 176.44 2yre s PRO 24 N -1.15 2.55 0.00 4.30 0.04 -1.26 -1.90 135.00 137.58 2yre s PRO 24 Ca 0.17 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2yre s PRO 24 Cb -0.12 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2yre s PRO 24 CO 0.06 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.07 2yre n GLY 25 N 6.74 2.65 0.09 0.56 0.00 -1.26 -4.95 105.19 109.02 2yre n GLY 25 Ca 0.41 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.47 -3.82 -0.61 -0.00 -1.11 -4.36 119.36 110.93 2yre n ILE 26 Ca 0.00 0.08 -0.12 0.00 -0.00 0.00 0.00 62.75 62.71 2yre n ILE 26 Cb 0.00 -2.25 -0.13 0.00 -0.00 0.00 0.00 39.64 37.27 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 -6.23 -0.14 0.36 4.38 1.04 -0.80 -1.67 113.70 110.65 2yre s SER 27 Ca -0.23 0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.55 2yre s SER 27 Cb 0.05 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2yre s SER 27 CO 0.38 -0.05 0.45 0.00 0.98 0.00 0.00 173.24 174.99 2yre s ASP 29 N -4.17 6.43 0.31 0.00 1.11 -1.26 -4.69 116.67 114.39 2yre s ASP 29 Ca 0.47 2.26 -0.27 0.00 0.18 0.00 0.00 52.55 55.19 2yre s ASP 29 Cb -0.08 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.21 2yre s ASP 29 CO 0.30 -0.74 0.97 -0.76 1.18 0.00 0.00 175.17 176.13 2yre s LEU 30 N -2.74 4.39 -0.03 1.23 1.43 -1.26 -2.76 118.68 118.93 2yre s LEU 30 Ca 0.60 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2yre s LEU 30 Cb -0.28 -3.93 0.02 0.00 0.03 0.00 0.00 46.19 42.04 2yre s LEU 30 CO 0.35 -0.09 -0.01 0.27 0.23 0.00 0.00 176.35 177.09 2yre s ILE 31 N -1.50 0.26 0.57 -0.59 -5.25 -0.68 -4.84 121.20 109.18 2yre s ILE 31 Ca 0.49 0.02 -0.21 0.00 -0.99 0.00 0.00 60.65 59.96 2yre s ILE 31 Cb -0.22 -0.33 -0.04 0.00 2.95 0.00 0.00 42.46 44.82 2yre s ILE 31 CO 0.27 0.15 1.33 -0.83 -1.79 0.00 0.00 174.94 174.08 2yre s GLY 32 N 0.88 2.87 0.23 6.27 0.00 -1.26 -3.81 107.32 112.50 2yre s GLY 32 Ca -0.09 1.27 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 2yre s GLY 32 CO -0.01 1.76 1.42 0.00 0.00 0.00 0.00 173.10 176.27 2yre n PRO 34 N 2.11 0.20 -0.36 0.00 -0.04 -1.26 -2.03 135.00 133.61 2yre n PRO 34 Ca 0.12 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2yre n PRO 34 Cb 0.31 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.29 3.58 -3.55 1.53 4.77 -1.26 -4.96 117.00 115.81 2yre n LEU 35 Ca 0.07 -2.84 -0.23 0.00 -0.03 0.00 0.00 56.01 52.98 2yre n LEU 35 Cb 0.12 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2yre n LEU 35 CO 0.11 0.68 -0.08 1.33 -1.33 0.00 0.00 177.39 178.11 2yre n VAL 36 N -0.42 -0.22 0.27 4.08 0.24 -0.86 -4.75 118.33 116.68 2yre n VAL 36 Ca 0.19 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.63 2yre n VAL 36 Cb 0.79 -0.61 0.77 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.64 0.50 3.31 0.00 0.00 -1.26 -5.01 105.19 102.09 2yre n GLY 38 Ca -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.27 -1.02 -0.23 4.61 0.00 -1.26 -5.09 121.76 117.49 2yre s ALA 39 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2yre s ALA 39 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.06 2yre s ALA 39 CO 0.00 -0.27 -0.10 0.08 0.00 0.00 0.00 175.76 175.47 2yre s VAL 40 N -1.01 2.66 0.20 0.00 1.01 -1.26 -2.84 120.40 119.17 2yre s VAL 40 Ca -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2yre s VAL 40 Cb -0.04 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2yre s VAL 40 CO 0.05 0.29 0.03 0.72 0.00 0.00 0.00 175.10 176.19 2yre s PHE 41 N 1.31 1.34 0.13 5.22 -0.71 -1.25 -4.70 117.98 119.33 2yre s PHE 41 Ca 0.01 -1.06 -0.31 0.00 -1.04 0.00 0.00 56.93 54.54 2yre s PHE 41 Cb -0.16 -0.77 -0.08 0.00 -1.21 0.00 0.00 43.02 40.81 2yre s PHE 41 CO -0.07 -0.23 1.28 -1.01 -1.34 0.00 0.00 175.22 173.85 2yre s HIS 42 N -3.67 3.33 0.24 3.49 3.76 -1.26 -1.68 115.29 119.50 2yre s HIS 42 Ca 0.29 1.20 0.08 0.00 -0.15 0.00 0.00 55.06 56.47 2yre s HIS 42 Cb 0.07 -3.55 0.74 0.00 1.11 0.00 0.00 32.58 30.95 2yre s HIS 42 CO 0.07 -1.75 1.09 -1.13 -0.85 0.00 0.00 174.74 172.18 2yre n SER 43 N 3.37 0.08 -0.05 1.40 3.41 -1.11 0.22 113.62 120.94 2yre n SER 43 Ca 0.08 1.16 -0.14 0.00 -0.26 0.00 0.00 58.87 59.72 2yre n SER 43 Cb 0.44 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.07 0.90 -0.68 0.00 1.79 0.23 -2.80 116.57 115.94 2yre h LYS 45 Ca 0.01 -0.05 0.20 0.00 -2.18 0.00 0.00 60.65 58.63 2yre h LYS 45 Cb 0.75 -0.20 -0.13 0.00 -1.58 0.00 0.00 32.23 31.07 2yre h LYS 45 CO 0.04 0.60 0.06 0.00 -1.08 0.00 0.00 179.45 179.07 2yre n ALA 46 N -2.43 0.39 -0.10 3.86 0.00 0.58 0.19 120.51 123.00 2yre n ALA 46 Ca 0.10 0.73 -0.06 0.00 0.00 0.00 0.00 53.44 54.21 2yre n ALA 46 Cb 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.27 0.64 0.00 5.19 -1.68 -0.54 116.42 119.76 2yre h ASP 47 Ca 0.43 0.10 -0.17 0.00 -0.62 0.00 0.00 57.03 56.77 2yre h ASP 47 Cb 0.94 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 2yre h ASP 47 CO -0.63 -0.09 -0.78 1.05 -3.12 0.00 0.00 179.24 175.68 2yre h GLU 48 N 0.03 0.10 0.25 3.56 4.11 0.18 -3.29 114.58 119.51 2yre h GLU 48 Ca 0.17 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 2yre h GLU 48 Cb 0.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2yre h GLU 48 CO -0.34 0.82 -0.18 1.25 0.07 0.00 0.00 179.01 180.64 2yre h HIS 49 N 0.06 -0.46 -0.88 2.06 2.76 0.38 -2.82 115.15 116.25 2yre h HIS 49 Ca -0.02 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.33 2yre h HIS 49 Cb 1.36 0.17 -0.17 0.00 1.55 0.00 0.00 27.41 30.32 2yre h HIS 49 CO 0.01 -0.27 -0.19 0.54 -1.30 0.00 0.00 177.93 176.72 2yre n ARG 50 N -5.30 -0.08 -0.35 5.26 1.74 -0.30 0.63 116.66 118.26 2yre n ARG 50 Ca -0.09 1.37 0.10 0.00 -0.77 0.00 0.00 57.85 58.46 2yre n ARG 50 Cb 0.21 -2.06 0.21 0.00 -1.02 0.00 0.00 32.46 29.81 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 -0.73 0.15 0.55 3.38 -1.65 0.15 115.31 117.16 2yre h LEU 51 Ca 0.43 0.29 -0.35 0.00 0.09 0.00 0.00 57.88 58.35 2yre h LEU 51 Cb 0.69 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2yre h LEU 51 CO -0.90 -0.35 -1.78 -0.07 0.09 0.00 0.00 178.44 175.43 2yre h LEU 52 N 0.00 0.50 -5.64 1.67 4.07 0.06 -3.47 115.31 112.50 2yre h LEU 52 Ca 0.54 -0.83 -0.55 0.00 0.08 0.00 0.00 57.88 57.12 2yre h LEU 52 Cb 0.97 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 2yre h LEU 52 CO -0.99 1.72 0.60 0.00 -1.08 0.00 0.00 178.44 178.69 2yre n PRO 54 N 3.45 0.49 -0.12 0.00 -0.04 -1.26 -3.05 135.00 134.48 2yre n PRO 54 Ca 0.26 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 2yre n PRO 54 Cb -0.03 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.84 2yre n PRO 54 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2yre n PHE 55 N -1.00 0.00 -0.98 0.54 3.01 -1.26 -1.95 117.46 115.82 2yre n PHE 55 Ca 0.12 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.26 2yre n PHE 55 Cb 0.05 -0.85 -0.00 0.00 -0.01 0.00 0.00 39.48 38.67 2yre n PHE 55 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2yre n GLU 56 N -3.90 0.00 -2.00 -1.08 0.28 -1.17 -4.14 120.64 108.62 2yre n GLU 56 Ca -0.45 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.13 2yre n GLU 56 Cb 0.84 -0.75 -0.03 0.00 1.43 0.00 0.00 31.44 32.94 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2yre s ARG 57 N -0.75 4.24 0.01 3.44 3.52 -1.26 -3.76 118.95 124.39 2yre s ARG 57 Ca 0.45 2.27 -0.03 0.00 -0.13 0.00 0.00 55.73 58.29 2yre s ARG 57 Cb -0.50 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 2yre s ARG 57 CO 0.46 -0.59 0.04 0.14 -0.81 0.00 0.00 175.30 174.54 2yre s VAL 58 N 1.51 0.09 0.46 7.11 -7.23 0.17 -4.96 120.40 117.55 2yre s VAL 58 Ca 0.69 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.90 2yre s VAL 58 Cb -0.41 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.15 2yre s VAL 58 CO 0.31 -0.41 1.16 -2.16 -0.31 0.00 0.00 175.10 173.70 2yre s PRO 59 N -1.29 3.74 0.14 4.82 0.04 -1.26 -1.01 135.00 140.19 2yre s PRO 59 Ca -0.14 1.77 -0.34 0.00 0.04 0.00 0.00 61.00 62.33 2yre s PRO 59 Cb -0.08 -2.39 -0.16 0.00 0.04 0.00 0.00 34.50 31.90 2yre s PRO 59 CO 0.00 -0.56 1.24 0.00 0.04 0.00 0.00 177.00 177.72 2yre h LEU 61 N 3.87 -0.20 -3.16 0.00 3.38 -1.91 0.92 115.31 118.20 2yre h LEU 61 Ca -0.45 0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2yre h LEU 61 Cb 1.34 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 2yre h LEU 61 CO 0.73 -0.39 0.12 0.59 0.09 0.00 0.00 178.44 179.59 2yre n ASN 62 N -5.41 5.69 -0.15 -0.43 3.02 -1.26 -4.45 115.26 112.27 2yre n ASN 62 Ca 0.29 -2.61 -0.07 0.00 -0.03 0.00 0.00 54.58 52.16 2yre n ASN 62 Cb 0.95 -1.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.18 0.46 -0.82 6.41 4.64 0.58 -2.65 113.55 123.35 2yre h SER 63 Ca 0.09 -0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.60 2yre h SER 63 Cb 0.98 -0.10 -0.15 0.00 -0.31 0.00 0.00 62.40 62.82 2yre h SER 63 CO 0.23 0.33 -0.02 0.44 -0.87 0.00 0.00 176.83 176.94 2yre h ASP 64 N 0.56 -0.44 -0.77 4.97 5.19 -1.84 0.75 116.42 124.84 2yre h ASP 64 Ca 0.17 0.22 0.14 0.00 -0.62 0.00 0.00 57.03 56.94 2yre h ASP 64 Cb -0.02 0.40 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 2yre h ASP 64 CO -0.06 -0.23 0.51 -0.26 -3.12 0.00 0.00 179.24 176.08 2yre h PHE 65 N 0.07 0.58 0.00 4.55 -1.00 -1.84 -3.45 116.94 115.86 2yre h PHE 65 Ca 0.45 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2yre h PHE 65 Cb 0.81 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2yre h PHE 65 CO -0.48 0.23 0.00 0.41 -1.61 0.00 0.00 178.31 176.87 2yre n GLY 66 N -1.49 0.96 3.49 -1.45 0.00 0.26 -5.10 105.19 101.85 2yre n GLY 66 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 5.91 0.03 -2.19 0.00 -0.04 -1.26 -4.51 135.00 132.94 2yre n PRO 68 Ca -0.05 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 2yre n PRO 68 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.95 3.17 -0.02 0.54 0.08 -1.26 -4.97 117.98 112.56 2yre s PHE 69 Ca 0.08 1.41 -0.01 0.00 0.12 0.00 0.00 56.93 58.53 2yre s PHE 69 Cb 0.09 -3.61 0.02 0.00 -0.57 0.00 0.00 43.02 38.95 2yre s PHE 69 CO 0.25 -1.68 0.05 0.95 -0.10 0.00 0.00 175.22 174.69 2yre s THR 70 N -0.89 -0.03 0.20 0.64 -4.23 -1.26 -2.09 115.64 107.98 2yre s THR 70 Ca 0.50 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 2yre s THR 70 Cb -0.38 -0.09 0.03 0.00 1.34 0.00 0.00 72.50 73.40 2yre s THR 70 CO 0.48 0.04 0.44 1.15 -0.54 0.00 0.00 174.62 176.19 2yre n MET 71 N 3.64 0.57 -1.95 3.99 0.00 -0.18 -4.89 117.12 118.30 2yre n MET 71 Ca -0.20 -1.13 -0.39 0.00 0.00 0.00 0.00 57.70 55.99 2yre n MET 71 Cb 0.55 1.42 0.01 0.00 0.00 0.00 0.00 33.22 35.20 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 -1.57 3.05 0.57 3.17 0.00 -1.26 -0.65 121.76 125.07 2yre s ALA 72 Ca 0.09 1.25 0.30 0.00 0.00 0.00 0.00 51.96 53.60 2yre s ALA 72 Cb -0.02 -3.51 1.46 0.00 0.00 0.00 0.00 23.12 21.04 2yre s ALA 72 CO 0.06 -1.05 1.87 0.00 0.00 0.00 0.00 175.76 176.64 2yre h ARG 73 N 2.07 0.00 0.00 0.00 2.47 -1.55 0.93 114.38 118.30 2yre h ARG 73 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 2yre h ARG 73 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2yre h ARG 73 CO 0.60 0.00 -0.95 -1.71 0.56 0.00 0.00 179.97 178.47 2yre n ASN 74 N -3.92 0.63 -1.38 7.04 5.15 -0.82 -3.87 115.26 118.08 2yre n ASN 74 Ca 0.13 -0.14 0.12 0.00 -0.60 0.00 0.00 54.58 54.09 2yre n ASN 74 Cb 0.83 0.67 0.33 0.00 -0.53 0.00 0.00 39.78 41.08 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 -2.00 2.80 0.08 1.20 4.76 0.31 -4.25 118.16 121.06 2yre n LYS 75 Ca 0.02 -2.66 -0.06 0.00 -2.87 0.00 0.00 58.31 52.74 2yre n LYS 75 Cb 0.44 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 2yre n LYS 75 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2yre h VAL 76 N 4.26 1.66 0.46 -0.18 -1.51 -1.34 -3.31 116.25 116.29 2yre h VAL 76 Ca 0.00 -3.16 -0.02 0.00 -1.23 0.00 0.00 66.70 62.29 2yre h VAL 76 Cb 1.03 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.91 2yre h VAL 76 CO 0.02 0.90 -0.22 0.00 -1.23 0.00 0.00 177.57 177.05 2yre h ALA 77 N 1.05 -1.02 -1.45 5.19 0.00 -1.84 0.21 119.26 121.41 2yre h ALA 77 Ca -0.01 -0.14 0.47 0.00 0.00 0.00 0.00 54.91 55.23 2yre h ALA 77 Cb 1.65 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 2yre h ALA 77 CO 0.12 -0.97 0.96 0.93 0.00 0.00 0.00 179.25 180.29 2yre h GLU 78 N -0.70 0.05 0.17 0.00 3.07 -1.84 1.23 114.58 116.55 2yre h GLU 78 Ca -0.06 -0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.49 2yre h GLU 78 Cb 0.48 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2yre h GLU 78 CO 0.10 0.03 -1.41 1.25 -1.40 0.00 0.00 179.01 177.58 2yre h HIS 79 N 0.05 0.67 -0.76 4.33 -0.00 -1.61 -3.33 115.15 114.50 2yre h HIS 79 Ca 0.85 -0.49 0.15 0.00 -0.00 0.00 0.00 60.37 60.89 2yre h HIS 79 Cb 2.84 -0.03 -0.10 0.00 -0.00 0.00 0.00 27.41 30.12 2yre h HIS 79 CO -0.00 1.42 0.27 -0.07 -0.00 0.00 0.00 177.93 179.55 2yre h LEU 80 N 0.10 0.20 -0.71 0.26 3.38 0.48 1.35 115.31 120.37 2yre h LEU 80 Ca -0.21 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.02 2yre h LEU 80 Cb 2.06 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.84 2yre h LEU 80 CO 0.22 0.05 0.24 -0.33 0.09 0.00 0.00 178.44 178.71 2yre h GLU 81 N 0.39 0.36 0.00 1.13 5.08 -1.55 0.17 114.58 120.15 2yre h GLU 81 Ca 0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2yre h GLU 81 Cb 0.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2yre h GLU 81 CO -0.44 0.24 -0.69 0.00 -1.00 0.00 0.00 179.01 177.11 2yre n MET 82 N -5.06 0.12 -1.74 2.33 0.00 -0.14 -4.77 117.12 107.87 2yre n MET 82 Ca 0.13 0.02 -0.42 0.00 0.00 0.00 0.00 57.70 57.42 2yre n MET 82 Cb 0.40 -1.56 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 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 9.01 0.70 -0.28 0.00 0.13 -1.84 -2.98 132.00 136.73 2yre h PRO 84 Ca -0.46 -0.37 0.08 0.00 -0.87 0.00 0.00 66.00 64.38 2yre h PRO 84 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2yre h PRO 84 CO 0.94 0.98 0.26 0.00 -0.23 0.00 0.00 178.00 179.96 2yre h ALA 85 N 0.96 2.03 -0.18 -0.56 0.00 -1.90 -1.59 119.26 118.02 2yre h ALA 85 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2yre h ALA 85 Cb 0.96 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2yre h ALA 85 CO 0.09 -0.41 0.15 0.45 0.00 0.00 0.00 179.25 179.53 2yre n SER 86 N -3.98 5.09 -3.86 0.00 2.88 -1.12 -4.79 113.62 107.84 2yre n SER 86 Ca 0.04 -2.57 -0.32 0.00 -1.33 0.00 0.00 58.87 54.69 2yre n SER 86 Cb 0.42 -0.96 -0.06 0.00 -0.75 0.00 0.00 64.21 62.86 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 0.83 0.00 -4.23 2.46 0.24 -0.60 -4.87 118.33 112.17 2yre n VAL 87 Ca 0.11 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.07 2yre n VAL 87 Cb 0.58 -0.38 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 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 -2.75 4.16 0.00 -1.34 0.15 -1.24 -5.11 113.70 107.58 2yre s SER 88 Ca 0.63 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2yre s SER 88 Cb -0.37 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2yre s SER 88 CO 0.77 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.88 2yre n GLY 89 N 4.29 0.16 3.55 9.45 0.00 -1.26 -4.43 105.19 116.95 2yre n GLY 89 Ca -0.18 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 2.62 -0.05 1.61 0.04 -1.26 -4.91 135.00 133.05 2yre s PRO 90 Ca 0.00 0.59 0.06 0.00 0.04 0.00 0.00 61.00 61.68 2yre s PRO 90 Cb 0.00 -4.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.12 2yre s PRO 90 CO 0.00 -2.76 -0.23 -1.12 0.04 0.00 0.00 177.00 172.93 2yre s SER 91 N 8.13 2.82 0.14 6.66 0.01 -1.26 -5.14 113.70 125.06 2yre s SER 91 Ca 0.67 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 57.51 2yre s SER 91 Cb -0.12 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 2yre s SER 91 CO 0.20 0.22 0.15 -0.44 0.41 0.00 0.00 173.24 173.79 2yre s SER 92 N -0.13 5.68 0.00 2.44 0.01 -1.26 -4.84 113.70 115.60 2yre s SER 92 Ca -0.03 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2yre s SER 92 Cb -0.13 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2yre s SER 92 CO 0.03 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.38