#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s GLN 2 N 0.00 4.05 -0.03 3.17 -1.52 -1.26 -2.35 119.66 121.72 2otl s GLN 2 Ca 0.00 0.63 -0.01 0.00 -1.95 0.00 0.00 55.36 54.03 2otl s GLN 2 Cb 0.00 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2otl s GLN 2 CO 0.00 0.35 0.06 1.41 -0.25 0.00 0.00 175.29 176.86 2otl s MET 3 N -2.33 0.01 0.21 2.91 -2.45 0.21 -4.93 119.30 112.93 2otl s MET 3 Ca 0.45 0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 54.79 2otl s MET 3 Cb -0.14 -0.17 -0.09 0.00 1.25 0.00 0.00 34.83 35.68 2otl s MET 3 CO 0.20 -0.13 1.39 -1.25 1.05 0.00 0.00 175.02 176.28 2otl s PRO 4 N 0.86 4.31 0.30 4.11 0.04 -1.26 -0.52 135.00 142.84 2otl s PRO 4 Ca -0.07 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2otl s PRO 4 Cb -0.10 -3.16 0.47 0.00 0.04 0.00 0.00 34.50 31.76 2otl s PRO 4 CO -0.03 -0.37 1.87 -0.09 0.04 0.00 0.00 177.00 178.42 2otl h ARG 5 N 5.45 0.80 -4.60 4.56 9.65 -1.81 -3.43 114.38 125.00 2otl h ARG 5 Ca -0.45 -0.13 -0.30 0.00 -1.10 0.00 0.00 59.98 58.00 2otl h ARG 5 Cb 1.21 -0.14 -0.23 0.00 -1.39 0.00 0.00 29.97 29.43 2otl h ARG 5 CO 0.79 0.68 -0.74 1.03 2.80 0.00 0.00 179.97 184.53 2otl s ARG 6 N -5.31 0.54 -0.09 0.20 0.52 -1.26 -0.46 118.95 113.09 2otl s ARG 6 Ca -0.10 -0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 54.13 2otl s ARG 6 Cb 0.16 -0.37 0.12 0.00 0.52 0.00 0.00 34.95 35.38 2otl s ARG 6 CO 0.79 0.08 1.13 -0.59 0.02 0.00 0.00 175.30 176.73 2otl s PHE 7 N -1.12 -0.16 0.02 -0.53 -0.12 -0.81 -4.97 117.98 110.29 2otl s PHE 7 Ca -0.07 0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.63 2otl s PHE 7 Cb -0.08 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 2otl s PHE 7 CO 0.00 -0.34 0.76 -0.80 -0.05 0.00 0.00 175.22 174.79 2otl s ASN 8 N -2.46 7.18 0.15 1.98 0.01 -1.26 -0.40 114.94 120.14 2otl s ASN 8 Ca 0.09 1.41 -0.25 0.00 -0.71 0.00 0.00 52.86 53.41 2otl s ASN 8 Cb 0.00 -2.46 0.06 0.00 0.41 0.00 0.00 41.25 39.26 2otl s ASN 8 CO -0.05 -0.01 0.84 0.28 -1.51 0.00 0.00 177.10 176.65 2otl s THR 9 N 0.11 0.00 0.32 1.60 -1.32 -0.78 -4.94 115.64 110.63 2otl s THR 9 Ca 0.39 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 2otl s THR 9 Cb -0.20 -1.66 -0.11 0.00 -1.51 0.00 0.00 72.50 69.02 2otl s THR 9 CO 0.22 0.00 1.48 -0.47 -2.21 0.00 0.00 174.62 173.64 2otl s TYR 10 N -3.45 2.79 -0.32 9.09 5.04 -1.26 -1.41 117.35 127.82 2otl s TYR 10 Ca 0.09 1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 55.76 2otl s TYR 10 Cb -0.02 -3.94 0.06 0.00 0.35 0.00 0.00 41.96 38.40 2otl s TYR 10 CO -0.01 -2.94 0.04 0.00 -1.34 0.00 0.00 175.55 171.30 2otl h PRO 12 N 7.99 0.00 0.00 0.00 0.13 -1.94 0.58 132.00 138.76 2otl h PRO 12 Ca -0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.89 2otl h PRO 12 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2otl h PRO 12 CO 0.56 0.00 -0.37 0.45 -0.23 0.00 0.00 178.00 178.41 2otl h HIS 13 N 0.00 0.00 0.00 1.56 3.86 -1.94 -3.36 115.15 115.27 2otl h HIS 13 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 2otl h HIS 13 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2otl h HIS 13 CO 0.00 0.55 -0.26 0.00 0.86 0.00 0.00 177.93 179.08 2otl n ASN 15 N -4.14 -3.31 -3.58 0.00 2.85 0.20 -5.01 115.26 102.27 2otl n ASN 15 Ca -0.02 0.05 -0.16 0.00 -0.11 0.00 0.00 54.58 54.33 2otl n ASN 15 Cb 0.32 -2.34 -0.07 0.00 1.24 0.00 0.00 39.78 38.93 2otl n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2otl s GLU 16 N -4.01 0.94 0.22 1.20 -1.05 -1.20 -4.95 118.70 109.85 2otl s GLU 16 Ca 0.00 0.37 -0.32 0.00 -0.15 0.00 0.00 54.97 54.87 2otl s GLU 16 Cb 0.00 0.45 -0.12 0.00 -0.44 0.00 0.00 34.13 34.01 2otl s GLU 16 CO 0.00 -0.25 1.69 0.72 0.95 0.00 0.00 175.26 178.36 2otl n HIS 17 N 1.40 2.72 -3.69 4.83 8.25 -1.26 -3.16 115.22 124.31 2otl n HIS 17 Ca -0.18 0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2otl n HIS 17 Cb 0.56 -2.65 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 2otl n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2otl s GLN 18 N 0.85 1.37 0.07 -0.41 -0.21 -0.50 -4.91 119.66 115.92 2otl s GLN 18 Ca 0.73 -0.80 -0.31 0.00 0.02 0.00 0.00 55.36 55.00 2otl s GLN 18 Cb -0.52 0.53 -0.08 0.00 1.00 0.00 0.00 33.01 33.94 2otl s GLN 18 CO 0.36 -0.58 1.58 -2.00 -2.12 0.00 0.00 175.29 172.52 2otl s GLU 19 N -3.85 4.22 0.22 2.91 2.12 -1.26 -1.87 118.70 121.19 2otl s GLU 19 Ca 0.08 2.25 0.10 0.00 0.36 0.00 0.00 54.97 57.75 2otl s GLU 19 Cb -0.01 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2otl s GLU 19 CO -0.04 -0.67 -0.11 -1.01 -0.54 0.00 0.00 175.26 172.89 2otl s HIS 20 N 2.32 2.55 -0.11 5.30 3.76 0.46 -0.15 115.29 129.42 2otl s HIS 20 Ca 0.71 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 2otl s HIS 20 Cb -0.38 -1.19 -0.00 0.00 1.11 0.00 0.00 32.58 32.11 2otl s HIS 20 CO 0.31 0.57 -0.22 -2.00 -0.85 0.00 0.00 174.74 172.55 2otl s GLU 21 N -3.14 3.11 -0.14 1.40 2.12 0.10 -1.93 118.70 120.23 2otl s GLU 21 Ca 0.27 -0.84 -0.15 0.00 0.36 0.00 0.00 54.97 54.60 2otl s GLU 21 Cb -0.07 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 2otl s GLU 21 CO 0.16 0.18 0.36 0.08 -0.54 0.00 0.00 175.26 175.50 2otl s VAL 22 N 0.35 5.25 0.00 3.70 1.01 0.39 -0.66 120.40 130.44 2otl s VAL 22 Ca -0.17 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2otl s VAL 22 Cb -0.18 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2otl s VAL 22 CO 0.08 0.38 -0.07 -0.70 0.00 0.00 0.00 175.10 174.79 2otl s GLU 23 N 0.44 0.52 -0.09 2.72 2.12 -0.56 -4.92 118.70 118.93 2otl s GLU 23 Ca 0.20 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2otl s GLU 23 Cb -0.14 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.76 2otl s GLU 23 CO 0.07 0.13 1.08 0.15 -0.54 0.00 0.00 175.26 176.14 2otl s LYS 24 N -0.34 4.39 -0.16 4.30 1.02 -1.26 -0.05 119.74 127.64 2otl s LYS 24 Ca 0.01 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.20 2otl s LYS 24 Cb -0.03 -3.55 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 2otl s LYS 24 CO -0.00 -0.37 2.15 0.28 -0.92 0.00 0.00 175.35 176.49 2otl n VAL 25 N 4.60 0.45 -2.83 3.17 0.31 -0.46 -4.92 118.33 118.65 2otl n VAL 25 Ca 0.10 -0.36 -0.39 0.00 -0.01 0.00 0.00 64.34 63.68 2otl n VAL 25 Cb 0.48 -2.44 -0.06 0.00 -0.91 0.00 0.00 33.84 30.91 2otl n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otl s ARG 26 N 5.81 4.69 0.00 5.55 0.52 -1.26 -5.00 118.95 129.26 2otl s ARG 26 Ca 0.98 1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 57.23 2otl s ARG 26 Cb -0.40 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 2otl s ARG 26 CO 0.38 0.46 1.42 -1.12 0.02 0.00 0.00 175.30 176.47 2otl s SER 27 N -1.32 6.83 0.64 0.23 0.01 -1.26 -5.01 113.70 113.83 2otl s SER 27 Ca 0.43 2.14 -0.13 0.00 1.31 0.00 0.00 55.95 59.70 2otl s SER 27 Cb -0.23 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 2otl s SER 27 CO 0.28 -0.74 1.05 -0.83 0.41 0.00 0.00 173.24 173.42 2otl s GLY 28 N 1.94 1.85 0.29 3.44 0.00 -1.26 -5.03 107.32 108.56 2otl s GLY 28 Ca 0.65 0.19 -0.18 0.00 0.00 0.00 0.00 44.72 45.38 2otl s GLY 28 CO 0.27 0.50 0.75 0.50 0.00 0.00 0.00 173.10 175.12 2otl s ARG 29 N -4.65 4.14 0.29 2.90 0.52 -1.26 -5.06 118.95 115.82 2otl s ARG 29 Ca 0.60 0.80 -0.22 0.00 -0.52 0.00 0.00 55.73 56.39 2otl s ARG 29 Cb -0.14 -2.60 -0.09 0.00 0.52 0.00 0.00 34.95 32.63 2otl s ARG 29 CO 0.47 0.24 0.83 -0.65 0.02 0.00 0.00 175.30 176.22 2otl s GLN 30 N -2.57 4.37 -0.02 3.54 -0.21 -1.26 -4.99 119.66 118.52 2otl s GLN 30 Ca 0.50 1.06 0.03 0.00 0.02 0.00 0.00 55.36 56.97 2otl s GLN 30 Cb -0.13 -2.75 -0.25 0.00 1.00 0.00 0.00 33.01 30.88 2otl s GLN 30 CO 0.19 0.29 0.77 1.79 -2.12 0.00 0.00 175.29 176.21 2otl h THR 31 N 2.56 1.04 -0.48 -0.19 1.35 -2.03 -3.48 112.91 111.68 2otl h THR 31 Ca -0.48 -2.78 -0.07 0.00 -0.55 0.00 0.00 66.41 62.53 2otl h THR 31 Cb 1.19 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 70.22 2otl h THR 31 CO 0.65 0.73 -0.09 0.61 -0.25 0.00 0.00 175.52 177.17 2otl n GLY 32 N 1.63 0.27 0.00 5.82 0.00 -1.26 -4.91 105.19 106.74 2otl n GLY 32 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2otl n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2otl n MET 33 N -1.55 -0.59 -1.23 1.61 2.81 -1.26 -4.82 117.12 112.09 2otl n MET 33 Ca -0.04 -0.33 -0.31 0.00 -1.81 0.00 0.00 57.70 55.20 2otl n MET 33 Cb 0.48 -0.83 0.10 0.00 -0.71 0.00 0.00 33.22 32.26 2otl n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2otl s LYS 34 N -0.01 2.18 0.31 0.03 3.01 -1.26 -4.82 119.74 119.18 2otl s LYS 34 Ca 0.00 1.20 0.07 0.00 -1.01 0.00 0.00 55.97 56.23 2otl s LYS 34 Cb 0.00 -1.89 0.81 0.00 -1.01 0.00 0.00 37.83 35.75 2otl s LYS 34 CO 0.00 -1.71 1.73 2.35 0.51 0.00 0.00 175.35 178.23 2otl h TRP 35 N -1.16 0.93 -0.52 3.18 7.01 -2.00 0.12 115.95 123.50 2otl h TRP 35 Ca -0.44 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.58 2otl h TRP 35 Cb 1.23 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 2otl h TRP 35 CO 0.57 0.06 0.23 0.97 -2.79 0.00 0.00 178.44 177.48 2otl h ILE 36 N 0.56 1.18 -0.49 2.65 6.09 -1.99 -1.30 117.51 124.21 2otl h ILE 36 Ca 0.61 -0.55 -0.06 0.00 -1.37 0.00 0.00 64.86 63.49 2otl h ILE 36 Cb 1.12 0.55 -0.02 0.00 0.47 0.00 0.00 36.82 38.93 2otl h ILE 36 CO -0.47 0.22 0.06 0.44 -3.07 0.00 0.00 178.15 175.33 2otl h ASP 37 N 0.74 0.73 -0.14 2.19 3.32 -1.10 -2.22 116.42 119.93 2otl h ASP 37 Ca 0.18 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2otl h ASP 37 Cb 0.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2otl h ASP 37 CO -0.02 0.77 -0.33 0.03 -1.72 0.00 0.00 179.24 177.97 2otl h ARG 38 N 0.74 0.47 -0.71 3.56 3.08 -1.14 -3.00 114.38 117.37 2otl h ARG 38 Ca 0.15 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 59.96 2otl h ARG 38 Cb 0.37 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2otl h ARG 38 CO 0.01 0.93 0.47 0.37 -1.07 0.00 0.00 179.97 180.68 2otl h GLN 39 N 0.07 0.66 0.33 0.04 4.15 -1.03 0.17 115.11 119.50 2otl h GLN 39 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2otl h GLN 39 Cb 0.94 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2otl h GLN 39 CO 0.07 0.44 -0.16 -0.09 -1.93 0.00 0.00 178.83 177.16 2otl h ARG 40 N 0.68 -0.43 -0.06 1.69 2.43 -1.36 0.17 114.38 117.51 2otl h ARG 40 Ca 0.32 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2otl h ARG 40 Cb 0.36 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2otl h ARG 40 CO -0.11 -0.27 -0.11 0.93 -1.51 0.00 0.00 179.97 178.89 2otl h GLU 41 N -0.46 -0.16 0.50 0.20 5.08 -1.07 -2.27 114.58 116.40 2otl h GLU 41 Ca -0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2otl h GLU 41 Cb 0.35 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2otl h GLU 41 CO 0.07 -0.11 -0.24 0.00 -1.00 0.00 0.00 179.01 177.74 2otl h ARG 42 N -0.16 -0.65 0.00 2.33 3.08 -0.54 -3.26 114.38 115.18 2otl h ARG 42 Ca 0.06 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2otl h ARG 42 Cb 0.25 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2otl h ARG 42 CO -0.16 -0.39 0.00 0.09 -1.07 0.00 0.00 179.97 178.44 2otl n ASN 43 N -5.34 0.02 -4.70 7.04 4.13 0.58 -4.79 115.26 112.21 2otl n ASN 43 Ca -0.12 0.50 -0.40 0.00 1.68 0.00 0.00 54.58 56.24 2otl n ASN 43 Cb 0.30 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 2otl n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2otl s SER 44 N -3.04 6.99 0.00 6.41 0.01 -0.86 -4.94 113.70 118.28 2otl s SER 44 Ca 0.11 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2otl s SER 44 Cb 0.15 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2otl s SER 44 CO 0.42 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2otl n GLY 45 N 3.23 4.35 3.76 3.44 0.00 -1.26 -4.98 105.19 113.73 2otl n GLY 45 Ca 0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2otl n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2otl s ILE 46 N 0.51 2.80 0.00 -0.61 1.01 -1.26 -4.79 121.20 118.86 2otl s ILE 46 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2otl s ILE 46 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2otl s ILE 46 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2otl n GLY 47 N 1.29 -0.76 3.71 6.18 0.00 -1.26 -4.84 105.19 109.51 2otl n GLY 47 Ca 0.02 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2otl n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2otl n ASN 48 N -0.96 2.58 -1.53 1.61 5.15 -1.26 -4.94 115.26 115.90 2otl n ASN 48 Ca 0.00 1.06 -0.02 0.00 -0.60 0.00 0.00 54.58 55.02 2otl n ASN 48 Cb 0.00 -1.53 0.27 0.00 -0.53 0.00 0.00 39.78 38.00 2otl n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2otl n ASP 49 N -0.19 4.11 0.00 1.20 8.00 -1.26 -4.80 116.55 123.61 2otl n ASP 49 Ca 0.08 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.30 2otl n ASP 49 Cb 0.42 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2otl n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otl n GLY 50 N -0.46 3.59 0.33 0.44 0.00 -1.26 -2.16 105.19 105.68 2otl n GLY 50 Ca 0.34 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.42 2otl n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2otl h LYS 51 N 0.00 0.00 0.00 1.61 2.10 -1.99 -0.44 116.57 117.85 2otl h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2otl h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2otl h LYS 51 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 2otl n PHE 52 N -3.88 0.00 1.19 0.07 3.01 -0.92 -2.71 117.46 114.23 2otl n PHE 52 Ca 0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 2otl n PHE 52 Cb 0.32 -0.28 0.26 0.00 -0.01 0.00 0.00 39.48 39.78 2otl n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2otl n SER 53 N -1.28 2.29 -4.78 4.37 7.64 -0.17 -4.93 113.62 116.76 2otl n SER 53 Ca 0.14 -1.73 -0.37 0.00 1.01 0.00 0.00 58.87 57.92 2otl n SER 53 Cb 0.24 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.41 2otl n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2otl s LYS 54 N -2.06 4.60 0.28 1.43 1.02 -1.10 -5.02 119.74 118.89 2otl s LYS 54 Ca 0.31 1.36 0.07 0.00 0.02 0.00 0.00 55.97 57.73 2otl s LYS 54 Cb 0.20 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 2otl s LYS 54 CO 0.34 0.29 0.30 0.14 -0.92 0.00 0.00 175.35 175.50 2otl s VAL 55 N -1.56 4.41 0.46 3.17 -7.23 -1.26 -5.09 120.40 113.30 2otl s VAL 55 Ca 0.49 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 2otl s VAL 55 Cb -0.20 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.17 2otl s VAL 55 CO 0.25 -0.28 0.95 -2.65 -0.31 0.00 0.00 175.10 173.07 2otl n PRO 56 N -1.35 1.20 -0.54 4.82 -0.02 -1.26 -5.02 135.00 132.83 2otl n PRO 56 Ca -0.06 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.76 2otl n PRO 56 Cb 0.58 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.11 2otl n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2otl n GLY 57 N 1.26 -1.66 0.00 -1.23 0.00 -1.26 -5.10 105.19 97.20 2otl n GLY 57 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2otl n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otl n GLY 58 N 1.47 0.01 3.11 -0.02 0.00 -1.26 -5.12 105.19 103.39 2otl n GLY 58 Ca 0.05 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 2otl n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otl s ASP 59 N -1.00 1.14 0.20 1.61 1.01 -1.26 -5.15 116.67 113.22 2otl s ASP 59 Ca 0.00 -0.66 -0.19 0.00 0.71 0.00 0.00 52.55 52.41 2otl s ASP 59 Cb 0.00 0.02 -0.08 0.00 1.01 0.00 0.00 42.92 43.87 2otl s ASP 59 CO 0.00 -0.22 0.69 -0.75 0.21 0.00 0.00 175.17 175.10 2otl s LYS 60 N -2.08 4.21 0.44 8.23 2.47 -1.26 -4.97 119.74 126.78 2otl s LYS 60 Ca -0.03 0.81 0.19 0.00 -1.56 0.00 0.00 55.97 55.38 2otl s LYS 60 Cb -0.07 -2.92 1.14 0.00 -1.46 0.00 0.00 37.83 34.52 2otl s LYS 60 CO 0.00 0.43 1.88 -1.00 0.16 0.00 0.00 175.35 176.82 2otl h PRO 61 N 3.52 0.33 -3.67 4.03 0.13 -2.05 -3.41 132.00 130.88 2otl h PRO 61 Ca -0.48 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 2otl h PRO 61 Cb 1.19 -0.07 -0.29 0.00 0.13 0.00 0.00 31.00 31.96 2otl h PRO 61 CO 0.65 0.22 -0.72 0.99 -0.23 0.00 0.00 178.00 178.91 2otl s THR 62 N -5.35 -0.01 0.24 1.56 2.01 -1.26 -5.05 115.64 107.78 2otl s THR 62 Ca -0.08 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2otl s THR 62 Cb 0.22 -0.03 -0.04 0.00 0.01 0.00 0.00 72.50 72.66 2otl s THR 62 CO 0.77 0.02 0.44 -0.54 -0.69 0.00 0.00 174.62 174.62 2otl s LYS 63 N 0.24 3.53 0.90 4.92 -0.14 -1.26 -4.88 119.74 123.04 2otl s LYS 63 Ca -0.02 -0.30 -0.13 0.00 -1.36 0.00 0.00 55.97 54.17 2otl s LYS 63 Cb -0.03 -2.78 0.13 0.00 -1.68 0.00 0.00 37.83 33.47 2otl s LYS 63 CO -0.01 0.33 1.16 0.15 -0.76 0.00 0.00 175.35 176.23 2otl s LYS 64 N -3.53 1.24 -0.04 1.68 1.02 -1.26 -2.32 119.74 116.53 2otl s LYS 64 Ca 0.39 0.16 -0.27 0.00 0.02 0.00 0.00 55.97 56.28 2otl s LYS 64 Cb -0.11 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 2otl s LYS 64 CO 0.30 -2.10 0.87 0.99 -0.92 0.00 0.00 175.35 174.49 2otl s THR 65 N -3.41 4.93 -0.82 2.17 2.01 -1.13 -4.81 115.64 114.57 2otl s THR 65 Ca 0.64 1.81 0.02 0.00 0.31 0.00 0.00 61.69 64.47 2otl s THR 65 Cb -0.13 -4.21 0.29 0.00 0.01 0.00 0.00 72.50 68.47 2otl s THR 65 CO 0.52 0.17 1.15 -0.67 -0.69 0.00 0.00 174.62 175.11 2otl n ASP 66 N 4.04 5.20 -4.95 3.53 2.03 -1.26 -4.00 116.55 121.14 2otl n ASP 66 Ca 0.04 -3.51 -0.24 0.00 0.52 0.00 0.00 54.79 51.61 2otl n ASP 66 Cb 0.51 -0.91 0.01 0.00 -0.72 0.00 0.00 41.12 40.01 2otl n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2otl s LEU 67 N -2.97 3.65 -0.09 -2.67 1.43 -1.26 -1.35 118.68 115.41 2otl s LEU 67 Ca 0.38 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2otl s LEU 67 Cb 0.14 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 43.14 2otl s LEU 67 CO -0.00 -0.68 -0.09 -0.54 0.23 0.00 0.00 176.35 175.26 2otl s LYS 68 N -4.58 1.50 -0.46 1.70 1.02 0.93 -4.65 119.74 115.21 2otl s LYS 68 Ca 0.48 -0.29 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 2otl s LYS 68 Cb -0.10 -1.43 0.09 0.00 -0.52 0.00 0.00 37.83 35.87 2otl s LYS 68 CO 0.39 -0.14 0.35 0.71 -0.92 0.00 0.00 175.35 175.74 2otl s TYR 69 N 1.24 3.31 -0.33 3.18 1.51 -0.58 -1.50 117.35 124.17 2otl s TYR 69 Ca -0.04 -1.37 -0.22 0.00 -1.01 0.00 0.00 57.07 54.43 2otl s TYR 69 Cb -0.14 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 2otl s TYR 69 CO -0.03 -0.88 0.73 1.03 -1.11 0.00 0.00 175.55 175.30 2otl s ARG 70 N 1.50 3.84 0.22 -0.62 1.81 0.16 -1.01 118.95 124.86 2otl s ARG 70 Ca 0.04 0.36 -0.30 0.00 -1.72 0.00 0.00 55.73 54.11 2otl s ARG 70 Cb -0.25 -3.77 -0.09 0.00 -0.45 0.00 0.00 34.95 30.40 2otl s ARG 70 CO 0.03 -0.72 1.28 0.00 -0.68 0.00 0.00 175.30 175.21 2otl h GLY 72 N 4.94 0.58 0.01 0.00 0.00 -0.88 -2.06 103.07 105.66 2otl h GLY 72 Ca -0.45 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 2otl h GLY 72 CO 0.74 0.47 -0.00 -2.09 0.00 0.00 0.00 176.54 175.66 2otl h GLU 73 N 0.26 -0.01 0.00 4.80 4.81 -1.93 -3.38 114.58 119.14 2otl h GLU 73 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2otl h GLU 73 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2otl h GLU 73 CO 0.04 -0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.31 2otl n GLY 75 N 0.03 1.01 3.72 0.00 0.00 -0.77 -5.01 105.19 104.17 2otl n GLY 75 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2otl n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otl s LYS 76 N -0.19 4.52 0.59 1.61 1.02 -1.26 -4.55 119.74 121.47 2otl s LYS 76 Ca 0.00 1.19 -0.06 0.00 0.02 0.00 0.00 55.97 57.12 2otl s LYS 76 Cb 0.00 -3.43 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2otl s LYS 76 CO 0.00 0.06 0.90 0.00 -0.92 0.00 0.00 175.35 175.39 2otl s ALA 77 N 0.70 3.30 0.01 5.17 0.00 -1.26 -2.79 121.76 126.88 2otl s ALA 77 Ca 0.45 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 2otl s ALA 77 Cb -0.20 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2otl s ALA 77 CO 0.24 -0.78 0.26 -3.38 0.00 0.00 0.00 175.76 172.10 2otl s HIS 78 N -2.98 -0.10 0.13 0.00 -3.43 -0.18 -4.96 115.29 103.77 2otl s HIS 78 Ca 0.54 0.07 0.04 0.00 -0.80 0.00 0.00 55.06 54.90 2otl s HIS 78 Cb -0.11 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 2otl s HIS 78 CO 0.45 -0.40 0.16 -0.51 -2.00 0.00 0.00 174.74 172.45 2otl s LEU 79 N -1.57 3.97 0.17 5.38 1.43 -1.26 -1.53 118.68 125.26 2otl s LEU 79 Ca -0.11 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2otl s LEU 79 Cb -0.04 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2otl s LEU 79 CO 0.01 0.10 -0.02 -0.13 0.23 0.00 0.00 176.35 176.54 2otl s ARG 80 N -2.91 1.10 0.16 1.70 0.52 -1.26 -5.04 118.95 113.22 2otl s ARG 80 Ca 0.32 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.70 2otl s ARG 80 Cb -0.11 -0.34 -0.09 0.00 0.52 0.00 0.00 34.95 34.93 2otl s ARG 80 CO 0.25 -0.09 1.46 -2.00 0.02 0.00 0.00 175.30 174.94 2otl s GLU 81 N -3.88 4.27 0.73 3.54 2.12 -1.26 -4.86 118.70 119.36 2otl s GLU 81 Ca 0.22 2.22 -0.09 0.00 0.36 0.00 0.00 54.97 57.68 2otl s GLU 81 Cb 0.05 -3.19 0.16 0.00 0.26 0.00 0.00 34.13 31.42 2otl s GLU 81 CO 0.03 -0.50 1.00 0.41 -0.54 0.00 0.00 175.26 175.66 2otl n GLY 82 N 3.39 -0.66 3.36 -1.50 0.00 -1.26 -5.00 105.19 103.54 2otl n GLY 82 Ca 0.12 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 2otl n GLY 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2otl s TRP 83 N -3.07 -0.55 -0.34 1.61 -2.14 -1.26 -4.71 118.94 108.49 2otl s TRP 83 Ca 0.59 1.30 -0.41 0.00 2.66 0.00 0.00 56.10 60.24 2otl s TRP 83 Cb -0.02 0.21 -0.16 0.00 -3.10 0.00 0.00 33.47 30.39 2otl s TRP 83 CO 0.41 -0.27 1.79 0.54 -2.66 0.00 0.00 176.95 176.76 2otl n ARG 84 N 3.09 0.90 -3.68 3.25 1.74 -1.26 -2.84 116.66 117.87 2otl n ARG 84 Ca -0.15 0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 2otl n ARG 84 Cb 0.57 -2.01 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 2otl n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otl s ALA 85 N 4.00 -0.59 0.12 7.54 0.00 -0.98 -4.96 121.76 126.89 2otl s ALA 85 Ca 1.02 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.66 2otl s ALA 85 Cb -1.14 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 2otl s ALA 85 CO 0.67 -0.56 1.58 0.78 0.00 0.00 0.00 175.76 178.23 2otl h GLY 86 N 8.06 -0.80 -4.06 0.00 0.00 -1.93 -3.40 103.07 100.92 2otl h GLY 86 Ca -0.20 0.54 -0.18 0.00 0.00 0.00 0.00 47.33 47.49 2otl h GLY 86 CO 0.18 -0.23 -0.70 -1.60 0.00 0.00 0.00 176.54 174.19 2otl s ARG 87 N -5.87 0.54 -0.09 4.80 3.52 -1.26 -4.88 118.95 115.72 2otl s ARG 87 Ca -0.16 -0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 54.47 2otl s ARG 87 Cb 0.09 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2otl s ARG 87 CO 0.63 -0.04 0.02 -1.17 -0.81 0.00 0.00 175.30 173.93 2otl s LEU 88 N -2.21 0.58 -0.03 -0.88 2.96 -1.26 -1.07 118.68 116.77 2otl s LEU 88 Ca -0.03 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2otl s LEU 88 Cb -0.02 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 2otl s LEU 88 CO -0.04 -0.22 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.92 2otl s GLU 89 N 1.99 2.12 0.22 1.98 2.02 -0.99 -4.99 118.70 121.05 2otl s GLU 89 Ca 0.04 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 2otl s GLU 89 Cb -0.13 -1.93 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 2otl s GLU 89 CO -0.05 0.43 0.58 -0.06 0.02 0.00 0.00 175.26 176.18 2otl s PHE 90 N -0.35 3.46 -0.42 1.61 0.40 -1.26 -0.62 117.98 120.80 2otl s PHE 90 Ca 0.03 0.98 -0.09 0.00 -0.60 0.00 0.00 56.93 57.25 2otl s PHE 90 Cb -0.11 -2.33 0.08 0.00 0.51 0.00 0.00 43.02 41.17 2otl s PHE 90 CO 0.01 0.28 0.26 -0.65 0.70 0.00 0.00 175.22 175.82 2otl s GLN 91 N -2.62 2.60 0.00 0.44 -0.21 0.32 -4.85 119.66 115.33 2otl s GLN 91 Ca 0.46 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.37 2otl s GLN 91 Cb -0.12 -3.78 0.00 0.00 1.00 0.00 0.00 33.01 30.11 2otl s GLN 91 CO 0.20 -0.96 0.00 0.39 -2.12 0.00 0.00 175.29 172.80