#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj h SER 2 N 0.00 0.13 -4.34 2.55 4.64 -2.04 -3.46 113.55 111.03 2otj h SER 2 Ca 0.00 -0.15 -0.27 0.00 -0.47 0.00 0.00 61.79 60.90 2otj h SER 2 Cb 0.00 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 61.90 2otj h SER 2 CO 0.00 1.12 -0.70 -0.94 -0.87 0.00 0.00 176.83 175.44 2otj s SER 3 N -6.73 1.41 -0.41 4.97 1.04 -1.26 -5.09 113.70 107.63 2otj s SER 3 Ca -0.02 -1.00 0.06 0.00 0.48 0.00 0.00 55.95 55.46 2otj s SER 3 Cb 0.09 0.05 0.43 0.00 0.10 0.00 0.00 66.02 66.69 2otj s SER 3 CO 0.84 -0.41 1.12 -3.20 0.98 0.00 0.00 173.24 172.58 2otj n ASN 4 N -0.08 4.70 -4.95 7.02 5.15 -1.26 -4.93 115.26 120.91 2otj n ASN 4 Ca -0.11 -3.71 -0.24 0.00 -0.60 0.00 0.00 54.58 49.92 2otj n ASN 4 Cb 0.61 -0.44 0.05 0.00 -0.53 0.00 0.00 39.78 39.47 2otj n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2otj s GLY 5 N -3.55 1.73 0.19 8.20 0.00 -1.26 -5.00 107.32 107.63 2otj s GLY 5 Ca 0.48 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.03 2otj s GLY 5 CO -0.14 -0.72 1.85 -2.55 0.00 0.00 0.00 173.10 171.54 2otj h PRO 6 N -0.26 0.80 -0.97 2.90 0.11 -2.05 -2.63 132.00 129.91 2otj h PRO 6 Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2otj h PRO 6 Cb 1.30 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2otj h PRO 6 CO 0.57 0.53 0.02 1.28 -0.21 0.00 0.00 178.00 180.19 2otj n LEU 7 N -4.68 1.97 -4.69 2.35 4.77 -1.26 -4.74 117.00 110.73 2otj n LEU 7 Ca 0.06 -0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 2otj n LEU 7 Cb 0.05 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2otj n LEU 7 CO 0.34 0.36 0.92 -0.70 -1.33 0.00 0.00 177.39 176.98 2otj s GLU 8 N -0.98 4.37 -1.36 3.23 -6.30 -0.99 -3.19 118.70 113.49 2otj s GLU 8 Ca 0.06 1.65 0.00 0.00 -2.50 0.00 0.00 54.97 54.17 2otj s GLU 8 Cb 0.05 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.64 2otj s GLU 8 CO 0.02 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2otj n GLY 9 N 3.31 0.08 1.31 -1.50 0.00 -1.26 -4.91 105.19 102.23 2otj n GLY 9 Ca 0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2otj n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2otj n THR 10 N -3.74 2.63 -0.06 2.61 -2.24 -1.19 -4.67 114.28 107.62 2otj n THR 10 Ca -0.18 -2.79 -0.12 0.00 -2.27 0.00 0.00 64.05 58.70 2otj n THR 10 Cb 0.61 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 2otj n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2otj h ARG 11 N 1.08 0.31 0.10 -0.78 2.43 -1.91 -2.95 114.38 112.66 2otj h ARG 11 Ca 0.27 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2otj h ARG 11 Cb 1.71 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2otj h ARG 11 CO 0.49 0.54 -0.05 0.78 -1.51 0.00 0.00 179.97 180.22 2otj h GLY 12 N 0.04 -0.14 2.00 2.80 0.00 -1.94 -3.29 103.07 102.55 2otj h GLY 12 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2otj h GLY 12 CO 0.01 -0.05 -0.07 0.07 0.00 0.00 0.00 176.54 176.50 2otj h LYS 13 N -0.87 0.00 -0.51 4.80 2.10 -1.88 -2.84 116.57 117.38 2otj h LYS 13 Ca -0.01 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.36 2otj h LYS 13 Cb 0.56 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.73 2otj h LYS 13 CO 0.02 0.07 0.04 1.28 -2.00 0.00 0.00 179.45 178.86 2otj n LEU 14 N -3.50 4.76 -4.08 7.07 4.77 -1.11 -4.89 117.00 120.01 2otj n LEU 14 Ca -0.02 -3.84 -0.22 0.00 -0.03 0.00 0.00 56.01 51.91 2otj n LEU 14 Cb 0.20 -0.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.46 2otj n LEU 14 CO 0.28 1.29 -0.46 -0.75 -1.33 0.00 0.00 177.39 176.41 2otj s LYS 15 N -3.31 1.08 0.37 3.23 2.20 -1.07 -4.78 119.74 117.46 2otj s LYS 15 Ca 0.48 -0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 55.50 2otj s LYS 15 Cb 0.42 -1.03 -0.08 0.00 -1.51 0.00 0.00 37.83 35.63 2otj s LYS 15 CO 0.01 0.26 0.78 -0.80 -0.36 0.00 0.00 175.35 175.24 2otj s ASN 16 N -0.22 6.68 0.16 1.43 0.02 -1.26 -4.95 114.94 116.80 2otj s ASN 16 Ca 0.03 1.27 -0.30 0.00 -1.02 0.00 0.00 52.86 52.84 2otj s ASN 16 Cb -0.06 -2.37 -0.07 0.00 0.02 0.00 0.00 41.25 38.77 2otj s ASN 16 CO -0.00 -0.31 1.02 -0.54 0.02 0.00 0.00 177.10 177.29 2otj s LYS 17 N -3.38 4.67 0.22 -0.60 3.01 -1.26 -4.90 119.74 117.50 2otj s LYS 17 Ca 0.54 1.58 0.13 0.00 -1.01 0.00 0.00 55.97 57.21 2otj s LYS 17 Cb -0.10 -3.32 0.78 0.00 -1.01 0.00 0.00 37.83 34.18 2otj s LYS 17 CO 0.23 0.19 0.89 -2.30 0.51 0.00 0.00 175.35 174.87 2otj n PRO 18 N 2.42 -0.03 0.10 -1.68 -0.02 -1.26 0.79 135.00 135.31 2otj n PRO 18 Ca 0.02 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.40 2otj n PRO 18 Cb 0.48 -1.40 0.40 0.00 -0.02 0.00 0.00 33.50 32.95 2otj n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2otj n ARG 19 N -4.19 0.25 -0.30 -0.52 1.74 -1.26 -2.91 116.66 109.47 2otj n ARG 19 Ca 0.22 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.60 2otj n ARG 19 Cb 0.76 -1.78 0.28 0.00 -1.02 0.00 0.00 32.46 30.70 2otj n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2otj n ASP 20 N -2.21 3.51 -4.70 0.55 8.00 0.24 -4.97 116.55 116.96 2otj n ASP 20 Ca 0.05 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.26 2otj n ASP 20 Cb 0.43 -0.39 0.14 0.00 -0.02 0.00 0.00 41.12 41.28 2otj n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2otj s ARG 21 N -1.21 1.35 0.00 -1.24 3.00 -1.15 -4.85 118.95 114.84 2otj s ARG 21 Ca 0.43 1.30 0.00 0.00 -1.00 0.00 0.00 55.73 56.47 2otj s ARG 21 Cb 0.23 -1.78 0.00 0.00 0.00 0.00 0.00 34.95 33.40 2otj s ARG 21 CO 0.31 -2.32 0.00 0.41 0.00 0.00 0.00 175.30 173.70 2otj n GLY 22 N -0.38 -1.86 3.57 8.12 0.00 -1.26 -4.91 105.19 108.47 2otj n GLY 22 Ca 0.10 -1.52 -0.51 0.00 0.00 0.00 0.00 46.02 44.09 2otj n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2otj n THR 23 N -2.22 0.36 -2.25 2.61 -1.04 -1.26 -4.84 114.28 105.64 2otj n THR 23 Ca 0.00 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.62 2otj n THR 23 Cb 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 2otj n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2otj s SER 24 N 0.23 6.29 0.35 8.00 0.01 -1.26 -5.03 113.70 122.29 2otj s SER 24 Ca 0.81 1.23 -0.28 0.00 1.31 0.00 0.00 55.95 59.01 2otj s SER 24 Cb -0.95 -2.38 -0.10 0.00 0.21 0.00 0.00 66.02 62.80 2otj s SER 24 CO 0.50 -0.71 1.35 -2.84 0.41 0.00 0.00 173.24 171.94 2otj s PRO 25 N -4.85 4.23 0.49 12.44 0.02 -1.26 -4.95 135.00 141.12 2otj s PRO 25 Ca 0.52 2.29 0.28 0.00 0.02 0.00 0.00 61.00 64.10 2otj s PRO 25 Cb -0.11 -2.99 1.17 0.00 0.02 0.00 0.00 34.50 32.59 2otj s PRO 25 CO 0.48 -0.32 1.93 -1.35 -0.33 0.00 0.00 177.00 177.40 2otj h PRO 26 N 3.17 0.00 -0.22 5.54 0.11 -1.99 -3.35 132.00 135.26 2otj h PRO 26 Ca -0.49 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2otj h PRO 26 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2otj h PRO 26 CO 0.65 0.14 -0.26 0.37 -0.21 0.00 0.00 178.00 178.69 2otj h GLN 27 N 0.00 -0.16 0.00 1.05 5.75 -1.99 -0.88 115.11 118.89 2otj h GLN 27 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2otj h GLN 27 Cb 0.59 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.18 2otj h GLN 27 CO 0.02 -0.10 0.00 0.07 -2.65 0.00 0.00 178.83 176.16 2otj h ARG 28 N -0.16 0.00 0.00 1.69 0.11 -1.95 -1.11 114.38 112.96 2otj h ARG 28 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2otj h ARG 28 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2otj h ARG 28 CO -0.29 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.78 2otj h ALA 29 N 2.08 1.00 -0.08 0.08 0.00 -1.35 -3.23 119.26 117.75 2otj h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2otj h ALA 29 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2otj h ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 2otj n VAL 30 N -2.81 0.20 -1.58 0.00 0.31 -0.45 -4.25 118.33 109.75 2otj n VAL 30 Ca 0.04 -0.60 -0.40 0.00 -0.01 0.00 0.00 64.34 63.37 2otj n VAL 30 Cb 0.49 1.08 0.02 0.00 -0.91 0.00 0.00 33.84 34.53 2otj n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2otj n GLU 31 N 0.61 1.08 -4.44 5.55 4.07 -0.99 -4.99 120.64 121.52 2otj n GLU 31 Ca 0.08 0.39 -0.34 0.00 -0.06 0.00 0.00 57.16 57.23 2otj n GLU 31 Cb 0.31 -1.97 -0.14 0.00 -0.06 0.00 0.00 31.44 29.58 2otj n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2otj s GLU 32 N -2.12 3.44 0.12 5.31 0.41 -1.26 -4.83 118.70 119.76 2otj s GLU 32 Ca 0.66 -0.63 0.07 0.00 -0.41 0.00 0.00 54.97 54.66 2otj s GLU 32 Cb -0.52 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 2otj s GLU 32 CO 0.55 0.10 -0.10 -0.06 -0.49 0.00 0.00 175.26 175.26 2otj s PHE 33 N 0.68 2.73 0.09 1.61 0.40 -1.26 -5.14 117.98 117.09 2otj s PHE 33 Ca -0.05 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 2otj s PHE 33 Cb -0.15 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2otj s PHE 33 CO 0.02 0.44 0.05 -0.51 0.70 0.00 0.00 175.22 175.92 2otj s ASP 34 N -2.31 5.35 0.37 1.36 1.01 -1.26 -5.03 116.67 116.15 2otj s ASP 34 Ca 0.22 -0.07 -0.26 0.00 0.71 0.00 0.00 52.55 53.15 2otj s ASP 34 Cb -0.11 -1.38 -0.12 0.00 1.01 0.00 0.00 42.92 42.33 2otj s ASP 34 CO 0.14 0.17 1.05 0.47 0.21 0.00 0.00 175.17 177.21 2otj n ASP 35 N 0.47 1.47 0.00 0.27 9.92 -1.26 -1.00 116.55 126.42 2otj n ASP 35 Ca -0.09 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 2otj n ASP 35 Cb 0.52 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 2otj n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2otj n GLY 36 N 1.14 3.19 3.76 0.44 0.00 0.19 -4.97 105.19 108.94 2otj n GLY 36 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2otj n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 37 N -0.42 4.36 -0.11 1.61 2.02 -0.17 -4.70 118.70 121.29 2otj s GLU 37 Ca 0.00 2.19 -0.21 0.00 0.02 0.00 0.00 54.97 56.97 2otj s GLU 37 Cb 0.00 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2otj s GLU 37 CO 0.00 -0.19 0.62 0.15 0.02 0.00 0.00 175.26 175.86 2otj s LYS 38 N -1.55 4.35 0.03 1.61 -0.14 -1.26 -0.47 119.74 122.31 2otj s LYS 38 Ca 0.50 0.69 0.04 0.00 -1.36 0.00 0.00 55.97 55.85 2otj s LYS 38 Cb -0.39 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.26 2otj s LYS 38 CO 0.51 0.01 -0.13 0.14 -0.76 0.00 0.00 175.35 175.12 2otj s VAL 39 N 1.03 1.05 0.01 3.17 -7.23 -0.57 -1.85 120.40 116.02 2otj s VAL 39 Ca 0.32 -0.87 -0.18 0.00 -1.81 0.00 0.00 61.98 59.44 2otj s VAL 39 Cb -0.16 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 2otj s VAL 39 CO 0.14 0.07 0.50 -1.00 -0.31 0.00 0.00 175.10 174.49 2otj s HIS 40 N -0.71 3.72 -0.23 2.82 3.76 0.75 -1.05 115.29 124.35 2otj s HIS 40 Ca 0.02 1.10 -0.09 0.00 -0.15 0.00 0.00 55.06 55.94 2otj s HIS 40 Cb -0.07 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.13 2otj s HIS 40 CO 0.01 0.51 0.13 -0.51 -0.85 0.00 0.00 174.74 174.03 2otj s LEU 41 N -0.70 3.96 -0.27 0.89 1.02 0.33 -1.98 118.68 121.92 2otj s LEU 41 Ca 0.27 0.05 -0.06 0.00 0.02 0.00 0.00 54.13 54.42 2otj s LEU 41 Cb -0.18 -2.05 0.14 0.00 0.02 0.00 0.00 46.19 44.12 2otj s LEU 41 CO 0.15 0.07 0.54 -0.75 0.02 0.00 0.00 176.35 176.37 2otj s LYS 42 N 1.05 0.48 0.35 1.70 2.47 -0.75 -0.57 119.74 124.46 2otj s LYS 42 Ca 0.06 1.08 -0.28 0.00 -1.56 0.00 0.00 55.97 55.27 2otj s LYS 42 Cb -0.14 0.43 -0.10 0.00 -1.46 0.00 0.00 37.83 36.57 2otj s LYS 42 CO 0.04 -0.40 1.30 0.42 0.16 0.00 0.00 175.35 176.86 2otj s ILE 43 N 2.76 2.72 -0.28 5.43 1.01 -1.26 -4.37 121.20 127.21 2otj s ILE 43 Ca 0.06 0.70 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 2otj s ILE 43 Cb -0.13 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2otj s ILE 43 CO -0.18 0.15 0.41 -0.62 0.00 0.00 0.00 174.94 174.71 2otj s ASP 44 N -0.57 6.28 0.44 3.58 -1.08 -1.26 -4.97 116.67 119.09 2otj s ASP 44 Ca 0.51 0.25 0.16 0.00 -0.52 0.00 0.00 52.55 52.95 2otj s ASP 44 Cb -0.39 -2.23 1.09 0.00 -1.46 0.00 0.00 42.92 39.93 2otj s ASP 44 CO 0.51 -0.25 1.96 -0.65 0.52 0.00 0.00 175.17 177.27 2otj h PRO 45 N 8.20 0.35 0.00 4.34 0.11 -1.90 -2.13 132.00 140.97 2otj h PRO 45 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2otj h PRO 45 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2otj h PRO 45 CO 0.67 0.23 0.00 0.77 -0.21 0.00 0.00 178.00 179.46 2otj h SER 46 N 0.36 0.00 -3.56 -2.05 0.02 -1.92 -3.42 113.55 102.98 2otj h SER 46 Ca 0.31 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.55 2otj h SER 46 Cb 0.71 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.98 2otj h SER 46 CO -0.08 0.00 -0.52 -0.69 -1.14 0.00 0.00 176.83 174.39 2otj s VAL 47 N -3.21 4.23 0.04 2.27 1.01 -0.80 -4.80 120.40 119.14 2otj s VAL 47 Ca 0.08 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 2otj s VAL 47 Cb 0.11 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.86 2otj s VAL 47 CO 0.54 -0.32 1.54 -0.65 0.00 0.00 0.00 175.10 176.22 2otj h PRO 48 N 8.36 -0.05 -7.41 2.72 0.11 -1.82 -3.44 132.00 130.48 2otj h PRO 48 Ca -0.24 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.37 2otj h PRO 48 Cb 1.09 0.01 0.07 0.00 0.11 0.00 0.00 31.00 32.28 2otj h PRO 48 CO 0.68 0.15 0.41 -0.80 -0.21 0.00 0.00 178.00 178.23 2otj s ASN 49 N -5.34 5.75 -1.45 -2.05 0.01 -1.26 -4.37 114.94 106.24 2otj s ASN 49 Ca -0.14 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.31 2otj s ASN 49 Cb 0.04 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.48 2otj s ASN 49 CO 0.66 -1.16 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 2otj n GLY 50 N -2.78 1.06 3.91 0.66 0.00 -1.26 -4.91 105.19 101.88 2otj n GLY 50 Ca 0.07 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 2otj n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otj s ARG 51 N -3.59 2.24 0.46 1.61 0.52 -1.26 -2.22 118.95 116.71 2otj s ARG 51 Ca 0.00 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2otj s ARG 51 Cb 0.00 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 2otj s ARG 51 CO 0.00 -1.30 0.05 -0.59 0.02 0.00 0.00 175.30 173.47 2otj s PHE 52 N -3.36 1.89 -0.03 -0.53 -0.12 -1.26 -4.79 117.98 109.78 2otj s PHE 52 Ca 0.60 -1.05 -0.30 0.00 -0.05 0.00 0.00 56.93 56.14 2otj s PHE 52 Cb -0.11 -1.46 -0.05 0.00 -0.63 0.00 0.00 43.02 40.77 2otj s PHE 52 CO 0.47 0.06 1.51 -1.58 -0.05 0.00 0.00 175.22 175.63 2otj s HIS 53 N -2.99 2.47 0.58 3.49 5.65 -1.26 -4.87 115.29 118.35 2otj s HIS 53 Ca 0.15 0.54 0.38 0.00 0.25 0.00 0.00 55.06 56.38 2otj s HIS 53 Cb 0.03 -3.78 1.37 0.00 -1.18 0.00 0.00 32.58 29.02 2otj s HIS 53 CO 0.09 -3.08 1.52 -1.35 -0.65 0.00 0.00 174.74 171.26 2otj h PRO 54 N 8.56 0.00 -0.09 2.88 0.11 -1.99 0.13 132.00 141.60 2otj h PRO 54 Ca -0.38 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.76 2otj h PRO 54 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2otj h PRO 54 CO 0.93 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.83 2otj h ARG 55 N 0.00 0.00 -0.03 1.05 3.08 -1.89 -1.87 114.38 114.72 2otj h ARG 55 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 2otj h ARG 55 Cb 3.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.12 2otj h ARG 55 CO -0.01 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.08 2otj n PHE 56 N -3.87 0.02 -1.74 3.04 3.72 0.47 -4.90 117.46 114.20 2otj n PHE 56 Ca -0.01 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2otj n PHE 56 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2otj n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2otj s ASP 57 N -1.93 6.39 0.00 4.37 1.11 -0.70 -1.95 116.67 123.95 2otj s ASP 57 Ca 0.40 2.87 0.00 0.00 0.18 0.00 0.00 52.55 56.00 2otj s ASP 57 Cb 0.20 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2otj s ASP 57 CO 0.33 -0.96 0.00 0.61 1.18 0.00 0.00 175.17 176.33 2otj n GLY 58 N 3.77 3.02 3.76 0.21 0.00 0.26 -5.02 105.19 111.19 2otj n GLY 58 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2otj n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2otj s GLN 59 N -0.55 3.45 -0.34 1.61 -1.52 -0.82 -4.72 119.66 116.77 2otj s GLN 59 Ca 0.00 2.22 0.04 0.00 -1.95 0.00 0.00 55.36 55.67 2otj s GLN 59 Cb 0.00 -2.44 0.10 0.00 -0.22 0.00 0.00 33.01 30.45 2otj s GLN 59 CO 0.00 -0.94 0.06 0.99 -0.25 0.00 0.00 175.29 175.15 2otj s THR 60 N -1.30 2.22 0.00 -0.19 2.01 -1.26 -0.52 115.64 116.61 2otj s THR 60 Ca 0.66 -2.33 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2otj s THR 60 Cb -0.40 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2otj s THR 60 CO 0.49 -0.61 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2otj n GLY 61 N 4.26 1.80 2.97 4.40 0.00 -0.21 -4.85 105.19 113.55 2otj n GLY 61 Ca 0.04 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 2otj n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otj s THR 62 N 1.28 1.48 0.27 2.61 2.01 -0.70 -1.51 115.64 121.08 2otj s THR 62 Ca 0.00 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 2otj s THR 62 Cb 0.00 -1.55 -0.12 0.00 0.01 0.00 0.00 72.50 70.84 2otj s THR 62 CO 0.00 0.22 1.64 0.52 -0.69 0.00 0.00 174.62 176.31 2otj n VAL 63 N 4.75 0.71 -3.12 3.82 0.31 0.38 -1.72 118.33 123.46 2otj n VAL 63 Ca -0.14 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 63.81 2otj n VAL 63 Cb 0.48 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 2otj n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2otj n GLU 64 N 2.71 0.59 0.00 5.55 -0.58 -0.20 0.55 120.64 129.25 2otj n GLU 64 Ca 0.11 -2.85 0.00 0.00 -0.42 0.00 0.00 57.16 54.00 2otj n GLU 64 Cb 0.36 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2otj n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2otj n GLY 65 N 1.90 -0.87 3.25 0.62 0.00 -1.26 -4.72 105.19 104.11 2otj n GLY 65 Ca 0.21 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 2otj n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otj s LYS 66 N -1.73 1.30 -0.32 1.61 -2.85 -1.26 -1.72 119.74 114.78 2otj s LYS 66 Ca 0.00 -1.70 -0.01 0.00 -1.00 0.00 0.00 55.97 53.27 2otj s LYS 66 Cb 0.00 0.07 0.10 0.00 -2.06 0.00 0.00 37.83 35.95 2otj s LYS 66 CO 0.00 -0.37 0.10 -1.14 0.10 0.00 0.00 175.35 174.05 2otj s GLN 67 N -4.09 0.74 5.59 1.78 0.74 -0.31 -4.87 119.66 119.24 2otj s GLN 67 Ca 0.39 -1.12 0.00 0.00 0.05 0.00 0.00 55.36 54.67 2otj s GLN 67 Cb 0.07 -2.01 0.00 0.00 1.10 0.00 0.00 33.01 32.17 2otj s GLN 67 CO 0.13 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.29 2otj n GLY 68 N 4.78 1.46 0.13 2.59 0.00 -1.26 -2.54 105.19 110.35 2otj n GLY 68 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.42 2otj n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2otj h ASP 69 N 5.60 0.00 -4.27 1.61 3.32 -2.00 -3.46 116.42 117.21 2otj h ASP 69 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2otj h ASP 69 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 2otj h ASP 69 CO 0.00 0.46 0.32 0.00 -1.72 0.00 0.00 179.24 178.30 2otj s ALA 70 N -2.99 2.22 0.21 3.45 0.00 -1.05 -4.78 121.76 118.81 2otj s ALA 70 Ca 0.02 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.16 2otj s ALA 70 Cb 0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2otj s ALA 70 CO 0.76 -1.74 0.08 0.71 0.00 0.00 0.00 175.76 175.57 2otj s TYR 71 N -2.97 2.96 -0.36 0.00 1.51 0.13 -1.17 117.35 117.45 2otj s TYR 71 Ca 0.61 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 2otj s TYR 71 Cb -0.16 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 2otj s TYR 71 CO 0.56 0.54 0.12 0.15 -1.11 0.00 0.00 175.55 175.80 2otj s LYS 72 N -3.33 2.31 -0.16 -0.62 1.02 -0.70 -0.69 119.74 117.57 2otj s LYS 72 Ca 0.30 -1.49 -0.05 0.00 0.02 0.00 0.00 55.97 54.75 2otj s LYS 72 Cb -0.09 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2otj s LYS 72 CO 0.22 -0.83 0.02 0.08 -0.92 0.00 0.00 175.35 173.91 2otj s VAL 73 N 1.25 4.38 -0.02 3.17 1.01 0.22 -1.03 120.40 129.37 2otj s VAL 73 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 2otj s VAL 73 Cb -0.21 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2otj s VAL 73 CO -0.01 0.49 0.48 -1.81 0.00 0.00 0.00 175.10 174.25 2otj s ASP 74 N 0.19 6.83 0.27 3.32 1.01 -0.70 -0.16 116.67 127.43 2otj s ASP 74 Ca 0.01 0.99 0.03 0.00 0.71 0.00 0.00 52.55 54.29 2otj s ASP 74 Cb -0.13 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2otj s ASP 74 CO 0.02 0.20 0.17 0.27 0.21 0.00 0.00 175.17 176.04 2otj s ILE 75 N -0.49 0.15 -0.35 0.77 -4.36 0.32 -1.73 121.20 115.52 2otj s ILE 75 Ca 0.26 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2otj s ILE 75 Cb -0.17 -2.51 0.11 0.00 1.25 0.00 0.00 42.46 41.14 2otj s ILE 75 CO 0.14 0.00 0.12 -0.69 0.24 0.00 0.00 174.94 174.75 2otj s VAL 76 N -3.77 1.23 -0.39 8.37 1.01 -1.26 -0.94 120.40 124.65 2otj s VAL 76 Ca 0.38 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 2otj s VAL 76 Cb 0.05 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2otj s VAL 76 CO 0.18 -0.72 1.32 -0.62 0.00 0.00 0.00 175.10 175.27 2otj s ASP 77 N 1.20 6.49 0.77 3.32 -1.08 0.11 -4.65 116.67 122.83 2otj s ASP 77 Ca 0.12 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 2otj s ASP 77 Cb -0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2otj s ASP 77 CO -0.16 -1.30 0.00 0.61 0.52 0.00 0.00 175.17 174.84 2otj n GLY 78 N 4.81 0.64 0.00 2.66 0.00 -1.26 0.23 105.19 112.27 2otj n GLY 78 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2otj n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 79 N 0.00 0.53 3.51 -0.02 0.00 -1.26 -5.04 105.19 102.91 2otj n GLY 79 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2otj n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otj s LYS 80 N -0.55 3.73 0.11 1.61 2.20 0.14 -5.08 119.74 121.89 2otj s LYS 80 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 2otj s LYS 80 Cb 0.00 -3.06 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 2otj s LYS 80 CO 0.00 0.16 1.20 -1.21 -0.36 0.00 0.00 175.35 175.14 2otj s GLU 81 N 0.62 4.46 0.06 4.03 2.02 -1.26 0.10 118.70 128.72 2otj s GLU 81 Ca -0.00 1.81 0.01 0.00 0.02 0.00 0.00 54.97 56.81 2otj s GLU 81 Cb -0.14 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2otj s GLU 81 CO 0.02 -0.19 -0.06 0.15 0.02 0.00 0.00 175.26 175.21 2otj s LYS 82 N 0.56 0.60 -0.25 1.61 1.02 -0.12 -4.92 119.74 118.25 2otj s LYS 82 Ca 0.56 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.57 2otj s LYS 82 Cb -0.31 -0.11 0.05 0.00 -0.52 0.00 0.00 37.83 36.94 2otj s LYS 82 CO 0.32 -0.02 -0.10 0.99 -0.92 0.00 0.00 175.35 175.62 2otj s THR 83 N -2.57 2.39 -0.15 2.17 2.01 -1.26 -0.52 115.64 117.70 2otj s THR 83 Ca -0.01 -1.39 -0.13 0.00 0.31 0.00 0.00 61.69 60.47 2otj s THR 83 Cb -0.02 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2otj s THR 83 CO -0.03 0.09 0.28 -0.63 -0.69 0.00 0.00 174.62 173.63 2otj s ILE 84 N 1.19 5.31 -0.37 1.82 1.01 0.77 -4.90 121.20 126.03 2otj s ILE 84 Ca -0.05 0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.93 2otj s ILE 84 Cb -0.18 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2otj s ILE 84 CO -0.06 0.41 0.53 -0.63 0.00 0.00 0.00 174.94 175.19 2otj s ILE 85 N 0.31 4.99 -0.06 2.92 -1.09 -1.26 -0.61 121.20 126.40 2otj s ILE 85 Ca 0.16 0.21 -0.08 0.00 -2.23 0.00 0.00 60.65 58.72 2otj s ILE 85 Cb -0.13 -4.02 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 2otj s ILE 85 CO 0.04 -0.31 0.20 0.54 -1.23 0.00 0.00 174.94 174.18 2otj s VAL 86 N 2.44 0.01 0.54 2.92 0.11 0.14 -4.53 120.40 122.03 2otj s VAL 86 Ca 0.19 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 2otj s VAL 86 Cb -0.15 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2otj s VAL 86 CO 0.14 -0.06 0.87 0.42 -3.33 0.00 0.00 175.10 173.14 2otj s THR 87 N -0.15 4.56 0.49 5.04 -4.23 -0.94 0.20 115.64 120.59 2otj s THR 87 Ca -0.03 0.30 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2otj s THR 87 Cb -0.02 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 70.36 2otj s THR 87 CO 0.01 -0.82 2.06 0.00 -0.54 0.00 0.00 174.62 175.33 2otj h ALA 88 N 0.00 2.07 -0.88 3.99 0.00 -1.84 -2.21 119.26 120.39 2otj h ALA 88 Ca -0.46 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 54.65 2otj h ALA 88 Cb 1.21 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2otj h ALA 88 CO 0.62 -0.13 0.60 0.00 0.00 0.00 0.00 179.25 180.33 2otj h ALA 89 N 1.83 2.37 -0.47 0.00 0.00 -1.73 0.48 119.26 121.74 2otj h ALA 89 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2otj h ALA 89 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2otj h ALA 89 CO -0.02 -0.64 0.00 0.72 0.00 0.00 0.00 179.25 179.31 2otj n HIS 90 N -4.45 1.55 -4.29 0.00 -0.00 -0.83 -4.58 115.22 102.63 2otj n HIS 90 Ca 0.19 -0.76 -0.23 0.00 -0.00 0.00 0.00 57.72 56.92 2otj n HIS 90 Cb 0.76 -0.39 -0.12 0.00 -0.00 0.00 0.00 29.99 30.23 2otj n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2otj s LEU 91 N -2.61 2.34 -0.03 2.41 1.43 0.16 -1.81 118.68 120.56 2otj s LEU 91 Ca 0.49 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2otj s LEU 91 Cb 0.37 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.79 2otj s LEU 91 CO 0.15 0.01 0.06 -0.13 0.23 0.00 0.00 176.35 176.67 2otj s ARG 92 N -2.17 0.02 0.34 1.70 1.81 -0.84 -4.95 118.95 114.87 2otj s ARG 92 Ca 0.08 0.19 -0.29 0.00 -1.72 0.00 0.00 55.73 54.00 2otj s ARG 92 Cb -0.09 -0.14 -0.11 0.00 -0.45 0.00 0.00 34.95 34.16 2otj s ARG 92 CO 0.05 -0.12 1.46 1.03 -0.68 0.00 0.00 175.30 177.04 2otj s ARG 93 N 0.76 4.18 0.14 3.54 0.52 -1.26 -0.18 118.95 126.66 2otj s ARG 93 Ca -0.06 2.47 -0.30 0.00 -0.52 0.00 0.00 55.73 57.32 2otj s ARG 93 Cb -0.09 -3.01 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 2otj s ARG 93 CO -0.03 -0.46 1.02 -1.14 0.02 0.00 0.00 175.30 174.72 2otj s GLN 94 N -1.68 4.66 0.00 3.54 0.74 -0.77 -4.80 119.66 121.35 2otj s GLN 94 Ca 0.54 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.52 2otj s GLN 94 Cb -0.45 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.33 2otj s GLN 94 CO 0.57 0.17 0.00 0.39 -0.55 0.00 0.00 175.29 175.87