#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 1.97 0.00 1.61 0.15 -1.26 -5.00 113.70 111.18 2yre s SER -5 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2yre s SER -5 Cb 0.00 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2yre s SER -5 CO 0.00 -0.02 0.00 -0.24 1.20 0.00 0.00 173.24 174.18 2yre n SER -4 N 4.26 0.04 -1.86 5.45 2.88 -1.26 -5.15 113.62 117.99 2yre n SER -4 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2yre n SER -4 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2yre n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yre n GLY -3 N 2.59 -5.14 2.84 0.46 0.00 -1.26 -4.98 105.19 99.70 2yre n GLY -3 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2yre n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yre s SER -2 N -0.89 4.28 -0.01 1.61 1.04 -1.26 -5.10 113.70 113.38 2yre s SER -2 Ca 0.00 -1.95 0.00 0.00 0.48 0.00 0.00 55.95 54.48 2yre s SER -2 Cb 0.00 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.95 2yre s SER -2 CO 0.00 -0.39 -0.01 -0.94 0.98 0.00 0.00 173.24 172.89 2yre s SER -1 N 1.20 0.22 0.37 7.02 1.04 -1.26 -5.15 113.70 117.13 2yre s SER -1 Ca 0.11 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 2yre s SER -1 Cb -0.19 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.90 2yre s SER -1 CO -0.16 -0.03 0.71 -0.83 0.98 0.00 0.00 173.24 173.91 2yre s GLY 0 N 0.36 0.63 -0.30 7.32 0.00 -1.26 -5.17 107.32 108.91 2yre s GLY 0 Ca -0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 2yre s GLY 0 CO -0.01 -0.48 1.00 -0.29 0.00 0.00 0.00 173.10 173.32 2yre s MET 1 N -2.54 0.31 -0.18 2.90 1.75 -1.26 -5.15 119.30 115.14 2yre s MET 1 Ca 0.19 0.67 -0.04 0.00 -1.25 0.00 0.00 55.69 55.26 2yre s MET 1 Cb -0.04 0.28 0.06 0.00 2.84 0.00 0.00 34.83 37.97 2yre s MET 1 CO 0.13 -0.09 0.07 -1.21 -0.65 0.00 0.00 175.02 173.28 2yre s GLU 2 N 1.98 0.25 0.28 4.11 2.02 -1.26 -5.14 118.70 120.94 2yre s GLU 2 Ca -0.05 -0.20 0.12 0.00 0.02 0.00 0.00 54.97 54.86 2yre s GLU 2 Cb -0.05 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2yre s GLU 2 CO -0.16 -0.67 -0.17 -1.83 0.02 0.00 0.00 175.26 172.45 2yre s GLU 3 N 2.05 1.76 -0.15 1.61 1.03 -1.26 -5.13 118.70 118.61 2yre s GLU 3 Ca 0.01 -1.74 -0.11 0.00 0.03 0.00 0.00 54.97 53.17 2yre s GLU 3 Cb -0.16 -1.81 -0.05 0.00 -0.80 0.00 0.00 34.13 31.31 2yre s GLU 3 CO -0.09 0.32 0.20 -2.00 -1.33 0.00 0.00 175.26 172.36 2yre s GLU 4 N -3.54 3.97 1.09 -4.83 2.12 -1.26 -5.09 118.70 111.16 2yre s GLU 4 Ca 0.30 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.39 2yre s GLU 4 Cb -0.05 -3.34 0.28 0.00 0.26 0.00 0.00 34.13 31.28 2yre s GLU 4 CO 0.16 0.45 0.80 1.47 -0.54 0.00 0.00 175.26 177.60 2yre n LEU 5 N 2.96 0.00 -4.51 2.70 -0.00 -1.26 -5.07 117.00 111.82 2yre n LEU 5 Ca -0.16 -0.83 -0.25 0.00 -0.00 0.00 0.00 56.01 54.77 2yre n LEU 5 Cb 0.53 -0.81 -0.10 0.00 -0.00 0.00 0.00 43.42 43.04 2yre n LEU 5 CO 0.36 -2.25 -0.40 0.00 -0.00 0.00 0.00 177.39 175.10 2yre s GLN 6 N -4.85 1.74 -0.23 1.47 -2.07 -1.26 -5.12 119.66 109.34 2yre s GLN 6 Ca 0.56 -1.88 0.01 0.00 -1.82 0.00 0.00 55.36 52.23 2yre s GLN 6 Cb -0.07 -1.61 0.04 0.00 -1.09 0.00 0.00 33.01 30.28 2yre s GLN 6 CO 0.45 0.15 -0.12 -1.01 -1.32 0.00 0.00 175.29 173.44 2yre s HIS 7 N -2.67 3.06 0.15 9.60 3.76 -1.26 -4.91 115.29 123.01 2yre s HIS 7 Ca 0.31 -1.89 -0.29 0.00 -0.15 0.00 0.00 55.06 53.04 2yre s HIS 7 Cb 0.01 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2yre s HIS 7 CO 0.15 -0.81 1.56 0.77 -0.85 0.00 0.00 174.74 175.56 2yre h SER 8 N 7.90 -1.58 0.23 1.40 0.02 -1.63 0.30 113.55 120.19 2yre h SER 8 Ca -0.31 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2yre h SER 8 Cb 1.09 0.68 -0.03 0.00 0.14 0.00 0.00 62.40 64.27 2yre h SER 8 CO 0.55 -0.38 -0.47 -0.74 -1.14 0.00 0.00 176.83 174.65 2yre h HIS 9 N -0.34 -1.34 -0.07 3.45 -0.00 -1.60 -0.67 115.15 114.57 2yre h HIS 9 Ca 0.12 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 2yre h HIS 9 Cb 0.59 0.55 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 2yre h HIS 9 CO -0.67 -0.56 -0.36 0.00 -0.00 0.00 0.00 177.93 176.34 2yre h VAL 11 N -0.40 0.18 -0.40 0.00 -1.51 -0.31 0.70 116.25 114.51 2yre h VAL 11 Ca 0.02 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.21 2yre h VAL 11 Cb 0.46 0.41 -0.20 0.00 -2.13 0.00 0.00 31.29 29.82 2yre h VAL 11 CO -0.28 0.00 -0.50 0.59 -1.23 0.00 0.00 177.57 176.14 2yre n ASN 12 N -3.39 3.40 -3.75 4.19 3.02 0.74 -4.91 115.26 114.56 2yre n ASN 12 Ca 0.11 -3.82 -0.30 0.00 -0.03 0.00 0.00 54.58 50.54 2yre n ASN 12 Cb 0.90 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 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 4.20 2.72 -4.07 0.00 0.24 -1.26 -4.91 118.33 115.25 2yre n VAL 14 Ca 0.03 -1.53 -0.32 0.00 -2.04 0.00 0.00 64.34 60.48 2yre n VAL 14 Cb 0.39 -0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 32.02 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 -0.74 5.75 -0.23 -1.34 0.15 -1.26 -5.03 113.70 111.00 2yre s SER 15 Ca 0.43 0.15 -0.15 0.00 0.70 0.00 0.00 55.95 57.08 2yre s SER 15 Cb 0.36 -1.66 -0.18 0.00 -1.71 0.00 0.00 66.02 62.84 2yre s SER 15 CO 0.07 0.25 0.00 0.54 1.20 0.00 0.00 173.24 175.30 2yre n ARG 16 N 1.00 0.61 -0.29 5.44 1.74 -1.26 -4.25 116.66 119.64 2yre n ARG 16 Ca -0.12 0.39 -0.04 0.00 -0.77 0.00 0.00 57.85 57.31 2yre n ARG 16 Cb 0.52 -1.64 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2yre n ARG 16 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yre n ARG 17 N -4.14 1.45 -1.74 5.56 5.12 -1.26 -4.73 116.66 116.92 2yre n ARG 17 Ca -0.41 -0.76 -0.42 0.00 -1.93 0.00 0.00 57.85 54.33 2yre n ARG 17 Cb 0.83 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 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 4.49 2.46 -3.61 0.00 0.00 -1.26 -4.95 117.12 114.24 2yre n MET 19 Ca 0.16 -4.08 -0.34 0.00 0.00 0.00 0.00 57.70 53.44 2yre n MET 19 Cb 0.36 -1.90 -0.05 0.00 0.00 0.00 0.00 33.22 31.63 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 -4.29 5.13 0.03 3.17 2.01 -1.26 -5.03 115.64 115.39 2yre s THR 20 Ca 0.41 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2yre s THR 20 Cb 0.39 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2yre s THR 20 CO -0.10 0.22 1.90 -0.13 -0.69 0.00 0.00 174.62 175.82 2yre s ARG 21 N -2.11 4.15 -0.31 4.92 0.52 -1.26 -4.90 118.95 119.96 2yre s ARG 21 Ca 0.35 2.53 -0.29 0.00 -0.52 0.00 0.00 55.73 57.81 2yre s ARG 21 Cb -0.13 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.23 2yre s ARG 21 CO 0.20 -0.93 1.67 -1.25 0.02 0.00 0.00 175.30 175.01 2yre s PRO 22 N 4.26 3.54 0.29 3.54 0.04 -1.26 -4.58 135.00 140.83 2yre s PRO 22 Ca 0.85 1.43 0.06 0.00 0.04 0.00 0.00 61.00 63.38 2yre s PRO 22 Cb -0.41 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 29.99 2yre s PRO 22 CO 0.39 -1.61 0.36 -1.21 0.04 0.00 0.00 177.00 174.98 2yre s GLU 23 N 5.19 3.16 0.00 4.56 0.41 0.73 -4.83 118.70 127.91 2yre s GLU 23 Ca 0.74 -0.96 0.03 0.00 -0.41 0.00 0.00 54.97 54.36 2yre s GLU 23 Cb -0.22 -2.76 0.17 0.00 -1.78 0.00 0.00 34.13 29.54 2yre s GLU 23 CO 0.32 0.25 0.64 -0.35 -0.49 0.00 0.00 175.26 175.64 2yre n PRO 24 N -1.45 0.48 0.22 0.39 -0.04 -1.26 -4.09 135.00 129.25 2yre n PRO 24 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2yre n PRO 24 Cb 0.58 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.02 -1.60 0.00 0.55 0.00 -1.26 -5.02 105.19 97.83 2yre n GLY 25 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.42 0.00 -4.41 -0.61 -0.00 -1.26 -3.88 119.36 105.78 2yre n ILE 26 Ca 0.00 1.24 -0.20 0.00 -0.00 0.00 0.00 62.75 63.79 2yre n ILE 26 Cb 0.00 -1.96 -0.10 0.00 -0.00 0.00 0.00 39.64 37.57 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 -2.54 2.11 0.40 4.38 1.04 -1.26 -1.64 113.70 116.18 2yre s SER 27 Ca 0.00 -1.35 0.05 0.00 0.48 0.00 0.00 55.95 55.13 2yre s SER 27 Cb 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 2yre s SER 27 CO 0.00 -0.60 0.17 0.00 0.98 0.00 0.00 173.24 173.78 2yre s ASP 29 N -3.57 4.44 -0.06 0.00 1.01 -1.26 -4.54 116.67 112.70 2yre s ASP 29 Ca 0.27 2.11 -0.04 0.00 0.71 0.00 0.00 52.55 55.60 2yre s ASP 29 Cb 0.02 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2yre s ASP 29 CO 0.17 -2.08 0.11 -0.76 0.21 0.00 0.00 175.17 172.82 2yre s LEU 30 N -5.34 4.13 -0.01 1.23 1.43 -1.26 -2.74 118.68 116.13 2yre s LEU 30 Ca 0.68 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2yre s LEU 30 Cb -0.23 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.80 2yre s LEU 30 CO 0.47 0.34 0.01 0.27 0.23 0.00 0.00 176.35 177.66 2yre s ILE 31 N -1.11 -0.00 0.32 -0.59 -5.25 -0.67 -4.84 121.20 109.06 2yre s ILE 31 Ca 0.19 0.06 -0.27 0.00 -0.99 0.00 0.00 60.65 59.64 2yre s ILE 31 Cb -0.12 -0.04 -0.09 0.00 2.95 0.00 0.00 42.46 45.15 2yre s ILE 31 CO 0.09 0.03 1.05 -0.83 -1.79 0.00 0.00 174.94 173.50 2yre s GLY 32 N 0.31 2.94 0.10 6.27 0.00 -1.26 -3.10 107.32 112.58 2yre s GLY 32 Ca -0.03 0.78 -0.35 0.00 0.00 0.00 0.00 44.72 45.12 2yre s GLY 32 CO -0.01 1.31 0.94 0.00 0.00 0.00 0.00 173.10 175.34 2yre n PRO 34 N 1.45 0.49 -0.13 0.00 -0.04 -1.26 -2.00 135.00 133.51 2yre n PRO 34 Ca 0.18 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 2yre n PRO 34 Cb 0.17 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.00 2.58 -3.68 1.53 4.77 -1.26 -4.97 117.00 114.97 2yre n LEU 35 Ca 0.12 -3.05 -0.26 0.00 -0.03 0.00 0.00 56.01 52.78 2yre n LEU 35 Cb 0.05 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2yre n LEU 35 CO 0.09 0.70 -0.07 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -1.27 -0.37 0.26 4.08 0.24 -0.85 -4.76 118.33 115.65 2yre n VAL 36 Ca 0.16 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 2yre n VAL 36 Cb 0.67 -0.86 0.71 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.01 0.84 3.27 0.00 0.00 -1.26 -5.04 105.19 101.99 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 -1.63 -1.00 -0.28 4.61 0.00 -1.26 -5.09 121.76 117.11 2yre s ALA 39 Ca 0.00 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 2yre s ALA 39 Cb 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2yre s ALA 39 CO 0.00 -0.23 0.10 0.08 0.00 0.00 0.00 175.76 175.72 2yre s VAL 40 N 0.85 4.36 0.17 0.00 1.01 -1.26 -2.48 120.40 123.06 2yre s VAL 40 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2yre s VAL 40 Cb -0.06 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2yre s VAL 40 CO -0.06 0.19 -0.02 0.72 0.00 0.00 0.00 175.10 175.92 2yre s PHE 41 N 1.59 1.24 0.08 5.22 -0.12 -1.18 -4.42 117.98 120.39 2yre s PHE 41 Ca 0.05 -0.96 -0.31 0.00 -0.05 0.00 0.00 56.93 55.66 2yre s PHE 41 Cb -0.16 -0.70 -0.08 0.00 -0.63 0.00 0.00 43.02 41.45 2yre s PHE 41 CO 0.04 -0.14 1.51 -1.01 -0.05 0.00 0.00 175.22 175.57 2yre s HIS 42 N -3.58 2.85 0.24 3.49 3.76 -1.26 -1.67 115.29 119.13 2yre s HIS 42 Ca 0.23 0.66 0.09 0.00 -0.15 0.00 0.00 55.06 55.88 2yre s HIS 42 Cb 0.05 -3.81 0.76 0.00 1.11 0.00 0.00 32.58 30.69 2yre s HIS 42 CO 0.03 -3.05 1.10 -1.13 -0.85 0.00 0.00 174.74 170.84 2yre n SER 43 N 4.83 0.09 -0.10 1.40 3.41 -1.11 0.25 113.62 122.39 2yre n SER 43 Ca 0.14 1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 59.83 2yre n SER 43 Cb 0.41 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.38 0.57 -0.72 0.00 1.79 0.30 -3.14 116.57 115.75 2yre h LYS 45 Ca 0.11 -0.15 0.14 0.00 -2.18 0.00 0.00 60.65 58.57 2yre h LYS 45 Cb 0.09 -0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 30.54 2yre h LYS 45 CO -0.02 0.63 -0.20 0.00 -1.08 0.00 0.00 179.45 178.79 2yre n ALA 46 N -2.48 0.12 -0.22 3.86 0.00 -0.10 0.15 120.51 121.83 2yre n ALA 46 Ca 0.01 0.78 0.01 0.00 0.00 0.00 0.00 53.44 54.24 2yre n ALA 46 Cb 0.29 -0.45 0.09 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.49 0.02 0.00 5.19 -1.67 0.15 116.42 119.61 2yre h ASP 47 Ca 0.33 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2yre h ASP 47 Cb 0.51 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2yre h ASP 47 CO -0.74 -0.19 -0.01 -0.33 -3.12 0.00 0.00 179.24 174.85 2yre h GLU 48 N 0.04 -0.03 -0.57 3.56 5.08 0.11 -3.33 114.58 119.44 2yre h GLU 48 Ca 0.33 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 2yre h GLU 48 Cb 0.54 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 2yre h GLU 48 CO -0.64 0.63 -0.38 1.25 -1.00 0.00 0.00 179.01 178.86 2yre h HIS 49 N -0.73 -1.09 -0.98 4.33 2.76 -0.13 0.17 115.15 119.48 2yre h HIS 49 Ca -0.00 0.08 0.39 0.00 -2.20 0.00 0.00 60.37 58.63 2yre h HIS 49 Cb 0.67 0.56 -0.18 0.00 1.55 0.00 0.00 27.41 30.01 2yre h HIS 49 CO 0.16 -0.40 0.44 0.54 -1.30 0.00 0.00 177.93 177.36 2yre n ARG 50 N -5.42 -0.06 -0.18 5.26 1.74 0.46 0.13 116.66 118.58 2yre n ARG 50 Ca 0.03 1.37 -0.02 0.00 -0.77 0.00 0.00 57.85 58.45 2yre n ARG 50 Cb 0.35 -2.41 0.08 0.00 -1.02 0.00 0.00 32.46 29.46 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 0.31 0.00 0.55 3.38 -0.78 -3.10 115.31 115.68 2yre h LEU 51 Ca 0.79 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.81 2yre h LEU 51 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 2yre h LEU 51 CO -0.78 0.20 -0.01 -0.07 0.09 0.00 0.00 178.44 177.88 2yre h LEU 52 N 0.46 0.00 -5.79 1.67 3.38 0.10 -3.47 115.31 111.67 2yre h LEU 52 Ca 0.26 -0.97 -0.49 0.00 0.09 0.00 0.00 57.88 56.77 2yre h LEU 52 Cb 0.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.03 2yre h LEU 52 CO -0.22 0.99 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 2yre h PRO 54 N 1.56 -0.06 -1.22 0.00 0.13 -1.90 -3.17 132.00 127.35 2yre h PRO 54 Ca -0.29 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.23 2yre h PRO 54 Cb 0.92 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.94 2yre h PRO 54 CO 0.40 0.41 0.78 0.74 -0.23 0.00 0.00 178.00 180.10 2yre h PHE 55 N -0.55 0.59 -0.85 1.56 -1.00 -1.93 -1.16 116.94 113.61 2yre h PHE 55 Ca -0.01 0.02 -0.62 0.00 2.81 0.00 0.00 57.97 60.18 2yre h PHE 55 Cb 0.49 -0.15 0.07 0.00 3.61 0.00 0.00 35.95 39.97 2yre h PHE 55 CO 0.09 -0.15 -0.22 -1.91 -1.61 0.00 0.00 178.31 174.50 2yre n GLU 56 N -4.72 0.00 -1.68 1.51 2.13 -1.20 -4.09 120.64 112.59 2yre n GLU 56 Ca 0.34 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.70 2yre n GLU 56 Cb 1.26 -1.04 -0.04 0.00 0.27 0.00 0.00 31.44 31.89 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2yre n ARG 57 N 1.04 2.29 -3.89 5.31 0.63 -1.26 -3.67 116.66 117.10 2yre n ARG 57 Ca 0.16 0.83 -0.11 0.00 -0.92 0.00 0.00 57.85 57.81 2yre n ARG 57 Cb 0.15 -2.66 -0.13 0.00 0.45 0.00 0.00 32.46 30.27 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 2.52 0.03 0.60 5.15 -7.23 0.12 -4.95 120.40 116.64 2yre s VAL 58 Ca 0.85 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 60.56 2yre s VAL 58 Cb -0.65 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 2yre s VAL 58 CO 0.43 -0.16 1.12 -2.16 -0.31 0.00 0.00 175.10 174.02 2yre s PRO 59 N -0.47 3.08 0.19 4.82 0.04 -1.26 -1.28 135.00 140.12 2yre s PRO 59 Ca -0.05 1.50 -0.33 0.00 0.04 0.00 0.00 61.00 62.16 2yre s PRO 59 Cb -0.03 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 2yre s PRO 59 CO -0.00 -1.05 1.50 0.00 0.04 0.00 0.00 177.00 177.49 2yre n LEU 61 N 2.88 -0.06 -1.75 0.00 4.77 -1.26 0.88 117.00 122.46 2yre n LEU 61 Ca 0.15 1.51 -0.06 0.00 -0.03 0.00 0.00 56.01 57.57 2yre n LEU 61 Cb 0.29 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 2yre n LEU 61 CO 0.63 -1.54 1.28 0.59 -1.33 0.00 0.00 177.39 177.02 2yre n ASN 62 N -5.27 5.38 -0.18 -1.43 3.02 -1.26 -4.46 115.26 111.06 2yre n ASN 62 Ca 0.22 -2.49 -0.07 0.00 -0.03 0.00 0.00 54.58 52.22 2yre n ASN 62 Cb 0.74 -1.25 0.02 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.90 0.62 -0.73 6.41 4.64 0.17 -2.95 113.55 123.61 2yre h SER 63 Ca 0.10 -0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.50 2yre h SER 63 Cb 1.20 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 63.01 2yre h SER 63 CO 0.15 0.47 -0.39 0.44 -0.87 0.00 0.00 176.83 176.64 2yre h ASP 64 N 0.71 -1.37 -0.88 4.97 5.19 -1.85 0.33 116.42 123.53 2yre h ASP 64 Ca 0.19 0.26 0.20 0.00 -0.62 0.00 0.00 57.03 57.06 2yre h ASP 64 Cb -0.05 0.67 -0.12 0.00 0.18 0.00 0.00 39.33 40.02 2yre h ASP 64 CO -0.04 -0.30 0.40 -0.26 -3.12 0.00 0.00 179.24 175.91 2yre h PHE 65 N -0.12 0.66 0.00 4.55 -1.00 -1.89 -3.45 116.94 115.69 2yre h PHE 65 Ca 0.25 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2yre h PHE 65 Cb 0.56 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2yre h PHE 65 CO -0.74 0.01 0.00 0.41 -1.61 0.00 0.00 178.31 176.37 2yre n GLY 66 N -1.33 1.00 3.51 -1.45 0.00 0.12 -5.10 105.19 101.93 2yre n GLY 66 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 6.31 0.49 -2.61 0.00 -0.04 -1.26 -4.53 135.00 133.35 2yre n PRO 68 Ca -0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 2yre n PRO 68 Cb 0.48 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 3.28 -0.07 0.54 0.40 -1.26 -5.02 117.98 113.85 2yre s PHE 69 Ca 0.19 1.40 0.03 0.00 -0.60 0.00 0.00 56.93 57.95 2yre s PHE 69 Cb 0.09 -3.30 0.01 0.00 0.51 0.00 0.00 43.02 40.32 2yre s PHE 69 CO 0.15 -0.68 -0.16 0.95 0.70 0.00 0.00 175.22 176.17 2yre s THR 70 N 2.94 1.41 0.20 0.64 -4.23 -1.26 -2.06 115.64 113.29 2yre s THR 70 Ca 0.47 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 2yre s THR 70 Cb -0.17 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.45 2yre s THR 70 CO 0.11 0.41 0.46 1.15 -0.54 0.00 0.00 174.62 176.22 2yre n MET 71 N 3.63 0.60 -1.61 3.99 0.00 -0.41 -4.91 117.12 118.42 2yre n MET 71 Ca -0.21 -1.19 -0.35 0.00 0.00 0.00 0.00 57.70 55.95 2yre n MET 71 Cb 0.52 1.49 0.08 0.00 0.00 0.00 0.00 33.22 35.31 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 -1.60 2.26 0.31 3.17 0.00 -1.26 0.15 121.76 124.79 2yre s ALA 72 Ca 0.09 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.05 2yre s ALA 72 Cb -0.03 -3.47 0.52 0.00 0.00 0.00 0.00 23.12 20.14 2yre s ALA 72 CO 0.06 -1.67 1.77 -0.09 0.00 0.00 0.00 175.76 175.83 2yre h ARG 73 N 0.08 0.35 -0.30 0.00 9.65 -1.28 -1.39 114.38 121.49 2yre h ARG 73 Ca -0.49 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2yre h ARG 73 Cb 1.30 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2yre h ARG 73 CO 0.51 0.59 0.00 0.27 2.80 0.00 0.00 179.97 184.15 2yre n ASN 74 N -4.13 1.58 -0.00 -3.80 0.23 -1.26 -3.61 115.26 104.27 2yre n ASN 74 Ca -0.01 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 2yre n ASN 74 Cb 0.39 -0.20 -0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.35 0.98 -0.15 -3.83 3.00 -0.78 -4.72 118.16 113.01 2yre n LYS 75 Ca 0.10 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.38 2yre n LYS 75 Cb 0.25 -1.00 0.06 0.00 0.00 0.00 0.00 35.03 34.34 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 0.79 -0.73 3.15 2.07 -1.34 -2.27 116.25 117.91 2yre h VAL 76 Ca -0.00 -0.10 0.21 0.00 0.82 0.00 0.00 66.70 67.63 2yre h VAL 76 Cb 0.25 0.47 -0.14 0.00 -1.52 0.00 0.00 31.29 30.36 2yre h VAL 76 CO 0.00 0.05 0.04 0.00 0.02 0.00 0.00 177.57 177.68 2yre n ALA 77 N -2.46 0.39 -0.02 1.67 0.00 -1.26 0.12 120.51 118.95 2yre n ALA 77 Ca 0.05 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 2yre n ALA 77 Cb 0.21 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 2yre n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2yre h GLU 78 N 0.00 0.10 -0.63 0.00 4.57 -1.75 -3.09 114.58 113.78 2yre h GLU 78 Ca 0.45 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.69 2yre h GLU 78 Cb 0.95 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.50 2yre h GLU 78 CO -0.68 0.53 0.42 1.25 -1.18 0.00 0.00 179.01 179.36 2yre h HIS 79 N -0.34 0.45 -0.43 0.92 2.76 0.99 -0.14 115.15 119.36 2yre h HIS 79 Ca 0.01 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2yre h HIS 79 Cb 0.51 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2yre h HIS 79 CO 0.09 0.21 0.24 -0.07 -1.30 0.00 0.00 177.93 177.09 2yre h LEU 80 N 0.42 0.51 -0.83 0.26 3.38 -0.38 0.73 115.31 119.40 2yre h LEU 80 Ca 0.29 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2yre h LEU 80 Cb 0.59 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2yre h LEU 80 CO -0.08 0.41 0.55 -0.33 0.09 0.00 0.00 178.44 179.08 2yre h GLU 81 N 0.59 1.09 -0.27 1.13 5.08 -1.02 -2.68 114.58 118.51 2yre h GLU 81 Ca 0.15 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2yre h GLU 81 Cb 0.01 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2yre h GLU 81 CO -0.03 0.72 -0.02 0.00 -1.00 0.00 0.00 179.01 178.69 2yre n MET 82 N -4.51 2.44 -2.98 2.33 0.00 -0.85 -4.83 117.12 108.72 2yre n MET 82 Ca 0.09 -2.92 -0.39 0.00 0.00 0.00 0.00 57.70 54.47 2yre n MET 82 Cb 0.01 -1.81 -0.06 0.00 0.00 0.00 0.00 33.22 31.37 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 4.48 0.16 -0.71 0.00 0.13 -1.89 -3.18 132.00 130.99 2yre h PRO 84 Ca -0.47 -0.09 0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2yre h PRO 84 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2yre h PRO 84 CO 0.67 0.60 0.47 0.00 -0.23 0.00 0.00 178.00 179.50 2yre h ALA 85 N 0.56 1.74 0.00 -0.56 0.00 -1.94 0.63 119.26 119.69 2yre h ALA 85 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yre h ALA 85 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2yre h ALA 85 CO 0.02 0.14 0.00 0.77 0.00 0.00 0.00 179.25 180.17 2yre h SER 86 N 0.71 0.00 -5.90 0.00 0.02 -1.85 -3.45 113.55 103.08 2yre h SER 86 Ca 0.31 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.85 2yre h SER 86 Cb 0.30 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.61 2yre h SER 86 CO -0.10 0.00 -0.60 1.33 -1.14 0.00 0.00 176.83 176.31 2yre n VAL 87 N -2.80 -0.16 -3.96 2.27 0.24 0.21 -4.85 118.33 109.29 2yre n VAL 87 Ca -0.02 -0.08 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 2yre n VAL 87 Cb 0.08 -0.41 -0.15 0.00 -1.47 0.00 0.00 33.84 31.89 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 -2.81 4.41 0.00 -1.34 0.15 -1.26 -5.03 113.70 107.82 2yre s SER 88 Ca 0.42 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2yre s SER 88 Cb -0.24 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2yre s SER 88 CO 0.67 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2yre n GLY 89 N 4.47 -2.88 3.55 9.45 0.00 -1.26 -4.81 105.19 113.71 2yre n GLY 89 Ca -0.03 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 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 -5.93 2.62 0.39 1.61 0.04 -1.26 -4.96 135.00 127.52 2yre s PRO 90 Ca 0.00 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.37 2yre s PRO 90 Cb 0.00 -4.40 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 2yre s PRO 90 CO 0.00 -2.74 1.40 0.45 0.04 0.00 0.00 177.00 176.15 2yre n SER 91 N 12.78 3.30 -4.01 6.66 2.88 -1.26 -4.99 113.62 128.99 2yre n SER 91 Ca 0.21 1.18 -0.31 0.00 -1.33 0.00 0.00 58.87 58.62 2yre n SER 91 Cb 0.52 -1.57 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 2yre n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yre s SER 92 N -0.30 4.30 0.00 -3.46 0.15 -1.26 -5.16 113.70 107.97 2yre s SER 92 Ca 0.56 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2yre s SER 92 Cb -0.49 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2yre s SER 92 CO 0.61 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.42