#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj h LYS 2 N 0.00 0.00 -6.25 4.33 2.10 -2.04 -3.45 116.57 111.26 2otj h LYS 2 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 2otj h LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2otj h LYS 2 CO 0.00 0.23 1.06 -0.65 -2.00 0.00 0.00 179.45 178.09 2otj s GLN 3 N -3.07 4.19 0.31 0.07 -0.21 -1.26 -4.92 119.66 114.76 2otj s GLN 3 Ca 0.00 2.12 0.08 0.00 0.02 0.00 0.00 55.36 57.58 2otj s GLN 3 Cb 0.08 -3.95 0.80 0.00 1.00 0.00 0.00 33.01 30.94 2otj s GLN 3 CO 0.78 -0.82 1.77 -1.35 -2.12 0.00 0.00 175.29 173.54 2otj h PRO 4 N 9.32 0.68 0.17 2.91 0.11 -1.98 -0.47 132.00 142.74 2otj h PRO 4 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2otj h PRO 4 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2otj h PRO 4 CO 0.95 0.45 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.67 2otj h ASP 5 N 0.70 -0.19 -0.14 -2.05 5.19 -1.99 -0.94 116.42 116.99 2otj h ASP 5 Ca 0.59 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.91 2otj h ASP 5 Cb 1.01 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 2otj h ASP 5 CO -0.39 -0.12 -0.16 0.11 -3.12 0.00 0.00 179.24 175.55 2otj h LYS 6 N -0.24 0.53 0.42 3.56 1.57 -1.67 -0.87 116.57 119.87 2otj h LYS 6 Ca -0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2otj h LYS 6 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2otj h LYS 6 CO 0.04 0.68 -0.20 1.96 -0.57 0.00 0.00 179.45 181.35 2otj h GLN 7 N 0.48 -0.54 -0.64 3.15 1.08 -0.93 -0.65 115.11 117.06 2otj h GLN 7 Ca 0.08 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2otj h GLN 7 Cb 0.56 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 2otj h GLN 7 CO 0.04 -0.27 0.39 0.00 -0.95 0.00 0.00 178.83 178.04 2otj h ARG 8 N -0.75 0.87 0.51 1.46 3.08 -1.13 -2.72 114.38 115.70 2otj h ARG 8 Ca -0.06 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2otj h ARG 8 Cb 0.52 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.39 2otj h ARG 8 CO 0.09 0.61 -0.25 -0.22 -1.07 0.00 0.00 179.97 179.14 2otj h LYS 9 N 0.88 -0.66 -0.53 0.04 3.64 -1.03 -1.67 116.57 117.24 2otj h LYS 9 Ca 0.23 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.81 2otj h LYS 9 Cb -0.04 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2otj h LYS 9 CO -0.04 -0.41 0.38 0.66 -2.27 0.00 0.00 179.45 177.77 2otj h SER 10 N -0.75 0.03 0.06 4.20 4.64 -0.85 0.37 113.55 121.24 2otj h SER 10 Ca -0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 2otj h SER 10 Cb 0.56 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2otj h SER 10 CO 0.12 0.02 -0.65 1.56 -0.87 0.00 0.00 176.83 177.00 2otj h GLN 11 N 0.03 0.34 0.00 4.77 4.20 -1.29 -2.51 115.11 120.65 2otj h GLN 11 Ca 0.25 -0.44 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2otj h GLN 11 Cb 0.97 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 2otj h GLN 11 CO -0.01 1.15 -0.19 0.00 -0.67 0.00 0.00 178.83 179.10 2otj h ARG 12 N -0.26 0.00 -0.29 1.46 3.08 -0.42 -3.20 114.38 114.75 2otj h ARG 12 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2otj h ARG 12 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2otj h ARG 12 CO 0.13 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.76 2otj n ARG 13 N -3.38 2.87 -2.29 0.04 1.74 0.03 -5.02 116.66 110.65 2otj n ARG 13 Ca 0.00 -2.37 -0.41 0.00 -0.77 0.00 0.00 57.85 54.30 2otj n ARG 13 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 2otj n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otj s ALA 14 N -1.79 3.48 0.89 7.54 0.00 -0.94 -5.00 121.76 125.94 2otj s ALA 14 Ca 0.30 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2otj s ALA 14 Cb 0.21 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.97 2otj s ALA 14 CO 0.12 -0.47 0.97 -2.30 0.00 0.00 0.00 175.76 174.08 2otj n PRO 15 N 2.85 -0.21 -0.26 0.00 -0.02 -1.26 -4.70 135.00 131.40 2otj n PRO 15 Ca 0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 2otj n PRO 15 Cb 0.44 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 2otj n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2otj h LEU 16 N -1.48 -1.33 -1.82 2.45 3.38 -1.98 -0.49 115.31 114.04 2otj h LEU 16 Ca -0.44 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2otj h LEU 16 Cb 1.28 0.66 -0.00 0.00 0.09 0.00 0.00 40.66 42.69 2otj h LEU 16 CO 0.41 -0.30 -0.06 1.12 0.09 0.00 0.00 178.44 179.70 2otj h HIS 17 N -0.12 0.04 0.00 1.13 2.07 -2.02 -0.27 115.15 115.98 2otj h HIS 17 Ca 0.25 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2otj h HIS 17 Cb 0.56 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.53 2otj h HIS 17 CO -0.73 0.10 0.00 0.39 -3.07 0.00 0.00 177.93 174.62 2otj n GLU 18 N -4.45 0.33 0.07 5.12 1.02 -0.22 -3.09 120.64 119.43 2otj n GLU 18 Ca -0.02 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 2otj n GLU 18 Cb 0.15 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.27 2otj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2otj h ARG 19 N 0.00 0.00 -0.70 3.49 3.08 -0.69 -3.34 114.38 116.22 2otj h ARG 19 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 2otj h ARG 19 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2otj h ARG 19 CO 0.00 0.00 0.47 0.45 -1.07 0.00 0.00 179.97 179.82 2otj h HIS 20 N 0.00 0.53 0.00 3.04 3.86 -1.62 0.28 115.15 121.25 2otj h HIS 20 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2otj h HIS 20 Cb 0.76 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2otj h HIS 20 CO 0.00 0.23 0.00 0.36 0.86 0.00 0.00 177.93 179.38 2otj n LYS 21 N -4.48 0.19 0.00 2.45 2.85 -1.25 -2.23 118.16 115.69 2otj n LYS 21 Ca 0.12 0.37 0.14 0.00 -1.05 0.00 0.00 58.31 57.90 2otj n LYS 21 Cb 0.42 -1.83 0.62 0.00 -0.65 0.00 0.00 35.03 33.59 2otj n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2otj n GLN 22 N -2.19 0.81 -1.94 -1.58 6.02 0.99 -3.64 117.38 115.85 2otj n GLN 22 Ca 0.03 -0.30 -0.14 0.00 -0.01 0.00 0.00 57.00 56.58 2otj n GLN 22 Cb 0.26 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.08 2otj n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2otj n VAL 23 N -0.83 2.16 -3.76 5.09 0.24 -0.95 -4.72 118.33 115.55 2otj n VAL 23 Ca 0.16 -3.72 -0.36 0.00 -2.04 0.00 0.00 64.34 58.38 2otj n VAL 23 Cb 0.27 -0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 32.10 2otj n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2otj s ARG 24 N -3.44 3.58 0.06 7.34 0.52 -1.24 -1.45 118.95 124.32 2otj s ARG 24 Ca 0.44 -0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.68 2otj s ARG 24 Cb 0.39 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2otj s ARG 24 CO 0.00 0.70 -0.14 0.00 0.02 0.00 0.00 175.30 175.88 2otj s ALA 25 N -1.17 1.17 0.54 2.13 0.00 0.16 -4.13 121.76 120.46 2otj s ALA 25 Ca 0.22 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 2otj s ALA 25 Cb -0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2otj s ALA 25 CO 0.11 0.19 1.26 -0.08 0.00 0.00 0.00 175.76 177.25 2otj s THR 26 N -1.06 2.50 0.43 0.00 -1.32 -1.22 -0.77 115.64 114.19 2otj s THR 26 Ca -0.00 0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.80 2otj s THR 26 Cb -0.09 -3.17 -0.04 0.00 -1.51 0.00 0.00 72.50 67.70 2otj s THR 26 CO 0.02 -0.02 0.70 -0.76 -2.21 0.00 0.00 174.62 172.34 2otj s LEU 27 N -3.57 3.77 1.08 9.08 1.43 0.19 -1.72 118.68 128.94 2otj s LEU 27 Ca 0.71 0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 2otj s LEU 27 Cb -0.34 -3.69 0.23 0.00 0.03 0.00 0.00 46.19 42.41 2otj s LEU 27 CO 0.40 -0.47 1.10 -0.94 0.23 0.00 0.00 176.35 176.67 2otj s SER 28 N -4.01 1.96 0.11 2.29 1.04 -0.96 -4.74 113.70 109.39 2otj s SER 28 Ca 0.45 0.99 -0.21 0.00 0.48 0.00 0.00 55.95 57.65 2otj s SER 28 Cb -0.10 -1.52 -0.10 0.00 0.10 0.00 0.00 66.02 64.41 2otj s SER 28 CO 0.41 -3.52 1.74 0.00 0.98 0.00 0.00 173.24 172.85 2otj h ALA 29 N -2.16 0.09 0.03 5.32 0.00 -1.98 -1.20 119.26 119.35 2otj h ALA 29 Ca -0.52 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2otj h ALA 29 Cb 1.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2otj h ALA 29 CO 0.50 -0.45 -0.03 -0.44 0.00 0.00 0.00 179.25 178.83 2otj h ASP 30 N 0.05 -0.07 -0.84 0.00 3.32 -1.98 -2.08 116.42 114.81 2otj h ASP 30 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2otj h ASP 30 Cb 0.04 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2otj h ASP 30 CO -0.06 -0.04 0.54 -0.07 -1.72 0.00 0.00 179.24 177.88 2otj h LEU 31 N -0.06 0.98 -0.91 1.55 3.38 -1.90 0.28 115.31 118.63 2otj h LEU 31 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2otj h LEU 31 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2otj h LEU 31 CO -0.01 0.73 0.13 0.03 0.09 0.00 0.00 178.44 179.41 2otj h ARG 32 N 1.15 0.93 -0.24 1.13 3.08 -1.01 -1.76 114.38 117.66 2otj h ARG 32 Ca 0.31 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 2otj h ARG 32 Cb -0.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2otj h ARG 32 CO -0.06 0.84 -0.21 1.49 -1.07 0.00 0.00 179.97 180.96 2otj h GLU 33 N 0.89 0.57 -0.50 0.04 4.57 -0.58 -0.78 114.58 118.78 2otj h GLU 33 Ca 0.19 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 2otj h GLU 33 Cb 0.34 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2otj h GLU 33 CO 0.00 0.87 -0.09 1.49 -1.18 0.00 0.00 179.01 180.10 2otj h GLU 34 N 0.27 0.90 -0.00 1.92 4.81 -0.26 -3.35 114.58 118.88 2otj h GLU 34 Ca 0.04 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2otj h GLU 34 Cb 0.75 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2otj h GLU 34 CO 0.05 0.95 -0.32 0.66 -0.73 0.00 0.00 179.01 179.63 2otj n TYR 35 N -4.16 0.00 -3.11 0.92 4.02 -0.68 -5.02 117.16 109.12 2otj n TYR 35 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.77 2otj n TYR 35 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.74 2otj n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2otj n GLY 36 N 1.04 0.08 2.98 2.72 0.00 -0.30 -4.75 105.19 106.96 2otj n GLY 36 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2otj n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2otj s GLN 37 N -5.68 0.22 -0.00 1.61 -0.21 -1.21 -5.06 119.66 109.33 2otj s GLN 37 Ca 0.31 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.45 2otj s GLN 37 Cb -0.14 0.09 -0.28 0.00 1.00 0.00 0.00 33.01 33.68 2otj s GLN 37 CO 0.42 -0.04 0.83 -0.09 -2.12 0.00 0.00 175.29 174.29 2otj h ARG 38 N 5.30 0.26 -4.93 2.91 2.43 -1.95 -3.37 114.38 115.02 2otj h ARG 38 Ca -0.28 -0.44 -0.50 0.00 -0.81 0.00 0.00 59.98 57.95 2otj h ARG 38 Cb 1.20 0.17 -0.13 0.00 -0.42 0.00 0.00 29.97 30.79 2otj h ARG 38 CO 0.44 1.12 -0.49 0.54 -1.51 0.00 0.00 179.97 180.07 2otj s ASN 39 N -7.00 1.98 0.09 -3.80 4.22 -1.26 0.54 114.94 109.71 2otj s ASN 39 Ca -0.10 -1.74 -0.21 0.00 -2.14 0.00 0.00 52.86 48.67 2otj s ASN 39 Cb 0.07 0.56 0.05 0.00 1.28 0.00 0.00 41.25 43.21 2otj s ASN 39 CO 0.85 -1.04 0.50 0.54 -2.04 0.00 0.00 177.10 175.92 2otj s VAL 40 N -3.39 0.03 -0.29 3.54 0.11 0.05 -4.80 120.40 115.65 2otj s VAL 40 Ca 0.36 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2otj s VAL 40 Cb 0.02 -1.03 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2otj s VAL 40 CO 0.24 -0.16 1.31 -0.60 -3.33 0.00 0.00 175.10 172.57 2otj s ARG 41 N -3.07 3.93 0.24 1.54 3.52 -1.22 -0.67 118.95 123.22 2otj s ARG 41 Ca -0.02 1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.55 2otj s ARG 41 Cb -0.00 -3.88 -0.13 0.00 -1.56 0.00 0.00 34.95 29.38 2otj s ARG 41 CO -0.07 -1.11 1.54 0.28 -0.81 0.00 0.00 175.30 175.13 2otj n VAL 42 N 6.17 0.71 -4.34 7.11 0.31 -0.53 -4.94 118.33 122.83 2otj n VAL 42 Ca 0.15 -0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 2otj n VAL 42 Cb 0.46 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.59 2otj n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2otj s ASN 43 N 0.56 4.16 0.00 4.52 0.01 -1.26 -4.98 114.94 117.96 2otj s ASN 43 Ca 0.69 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2otj s ASN 43 Cb -0.58 -0.65 0.00 0.00 0.41 0.00 0.00 41.25 40.43 2otj s ASN 43 CO 0.45 0.06 0.54 0.00 -1.51 0.00 0.00 177.10 176.64 2otj n ALA 44 N -0.39 2.04 0.00 0.60 0.00 -1.26 -2.13 120.51 119.38 2otj n ALA 44 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2otj n ALA 44 Cb 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2otj n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 45 N 0.67 0.00 3.60 0.00 0.00 -1.25 -4.68 105.19 103.53 2otj n GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2otj n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otj s ASP 46 N -1.12 2.14 -0.06 1.61 1.01 -0.90 -4.52 116.67 114.82 2otj s ASP 46 Ca 0.00 1.76 0.03 0.00 0.71 0.00 0.00 52.55 55.05 2otj s ASP 46 Cb 0.00 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 2otj s ASP 46 CO 0.00 -3.52 -0.16 -0.89 0.21 0.00 0.00 175.17 170.82 2otj s THR 47 N -2.62 2.92 0.07 -1.27 2.01 -0.06 -0.91 115.64 115.78 2otj s THR 47 Ca 0.67 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2otj s THR 47 Cb -0.23 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2otj s THR 47 CO 0.61 0.58 -0.05 0.54 -0.69 0.00 0.00 174.62 175.60 2otj s VAL 48 N -0.47 0.47 -0.15 3.82 0.11 0.94 -0.84 120.40 124.27 2otj s VAL 48 Ca 0.06 -1.80 0.01 0.00 -2.93 0.00 0.00 61.98 57.33 2otj s VAL 48 Cb -0.12 -1.50 0.02 0.00 -1.53 0.00 0.00 36.38 33.25 2otj s VAL 48 CO 0.02 -0.88 -0.18 -1.83 -3.33 0.00 0.00 175.10 168.89 2otj s GLU 49 N -3.65 2.70 -0.00 1.54 -1.05 0.16 -0.79 118.70 117.60 2otj s GLU 49 Ca 0.08 -0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 53.87 2otj s GLU 49 Cb 0.05 -2.30 -0.07 0.00 -0.44 0.00 0.00 34.13 31.37 2otj s GLU 49 CO -0.06 -0.13 1.68 0.08 0.95 0.00 0.00 175.26 177.77 2otj s VAL 50 N 1.13 3.36 -0.66 1.83 1.01 -0.43 -2.00 120.40 124.64 2otj s VAL 50 Ca -0.01 0.58 0.16 0.00 0.00 0.00 0.00 61.98 62.71 2otj s VAL 50 Cb -0.14 -3.38 -0.18 0.00 0.00 0.00 0.00 36.38 32.68 2otj s VAL 50 CO -0.07 -0.03 0.63 0.18 0.00 0.00 0.00 175.10 175.81 2otj n LEU 51 N 6.62 0.66 0.00 3.92 4.77 0.12 -0.01 117.00 133.08 2otj n LEU 51 Ca 0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2otj n LEU 51 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2otj n LEU 51 CO 0.63 0.16 -0.17 0.54 -1.33 0.00 0.00 177.39 177.22 2otj n ARG 52 N -1.45 0.50 0.00 3.23 5.12 -1.21 -4.82 116.66 118.03 2otj n ARG 52 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2otj n ARG 52 Cb 0.27 -0.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 2otj n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2otj n GLY 53 N 1.89 -1.97 0.22 -0.13 0.00 -1.26 -4.69 105.19 99.26 2otj n GLY 53 Ca 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.92 2otj n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2otj h ASP 54 N 0.00 0.00 -0.52 1.61 3.45 -2.00 -2.94 116.42 116.02 2otj h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2otj h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2otj h ASP 54 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 2otj n PHE 55 N -2.95 1.15 -1.70 4.55 3.01 -1.26 -4.97 117.46 115.29 2otj n PHE 55 Ca 0.03 -0.46 -0.44 0.00 1.01 0.00 0.00 57.45 57.59 2otj n PHE 55 Cb 0.41 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 2otj n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2otj n ALA 56 N 0.87 1.78 0.00 4.37 0.00 -1.11 -2.02 120.51 124.40 2otj n ALA 56 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2otj n ALA 56 Cb 0.71 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2otj n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 57 N 2.47 2.98 3.75 0.00 0.00 0.99 -4.98 105.19 110.39 2otj n GLY 57 Ca 0.12 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2otj n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 58 N 0.00 2.80 0.09 1.61 2.02 -0.85 -4.78 118.70 119.58 2otj s GLU 58 Ca 0.00 1.70 0.07 0.00 0.02 0.00 0.00 54.97 56.77 2otj s GLU 58 Cb 0.00 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 2otj s GLU 58 CO 0.00 -1.31 -0.19 -2.00 0.02 0.00 0.00 175.26 171.78 2otj s GLU 59 N -3.60 1.05 0.01 1.61 2.12 -1.26 -1.31 118.70 117.31 2otj s GLU 59 Ca 0.74 -1.07 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 2otj s GLU 59 Cb -0.27 -1.22 0.11 0.00 0.26 0.00 0.00 34.13 33.00 2otj s GLU 59 CO 0.37 0.28 1.26 0.20 -0.54 0.00 0.00 175.26 176.83 2otj s GLY 60 N -1.77 -0.28 0.08 -1.50 0.00 0.03 -5.00 107.32 98.87 2otj s GLY 60 Ca 0.04 0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.92 2otj s GLY 60 CO 0.03 1.95 0.70 1.85 0.00 0.00 0.00 173.10 177.64 2otj s GLU 61 N -2.32 4.43 -0.44 2.90 2.12 -1.26 -0.04 118.70 124.08 2otj s GLU 61 Ca 0.19 0.97 -0.29 0.00 0.36 0.00 0.00 54.97 56.21 2otj s GLU 61 Cb 0.02 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.12 2otj s GLU 61 CO -0.02 0.45 1.44 0.08 -0.54 0.00 0.00 175.26 176.66 2otj s VAL 62 N -0.58 3.85 -0.18 3.70 1.01 -0.09 0.26 120.40 128.38 2otj s VAL 62 Ca 0.35 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.34 2otj s VAL 62 Cb -0.21 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2otj s VAL 62 CO 0.22 -0.83 1.21 0.40 0.00 0.00 0.00 175.10 176.10 2otj h ILE 63 N 6.48 0.57 -2.23 2.22 1.08 -0.94 -3.32 117.51 121.36 2otj h ILE 63 Ca -0.28 -1.90 -0.06 0.00 -0.39 0.00 0.00 64.86 62.24 2otj h ILE 63 Cb 1.11 2.15 -0.18 0.00 -3.07 0.00 0.00 36.82 36.83 2otj h ILE 63 CO 1.10 0.32 0.17 0.21 -0.69 0.00 0.00 178.15 179.27 2otj s ASN 64 N -6.09 -0.62 -0.25 1.72 2.47 -1.08 -4.95 114.94 106.14 2otj s ASN 64 Ca 0.01 0.56 -0.03 0.00 0.42 0.00 0.00 52.86 53.82 2otj s ASN 64 Cb 0.08 0.54 0.08 0.00 -1.45 0.00 0.00 41.25 40.50 2otj s ASN 64 CO 0.77 -0.67 0.09 -0.69 -3.72 0.00 0.00 177.10 172.88 2otj s VAL 65 N -1.65 0.30 -0.40 -5.21 1.01 -1.26 -0.54 120.40 112.64 2otj s VAL 65 Ca -0.09 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 2otj s VAL 65 Cb -0.00 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2otj s VAL 65 CO 0.06 -0.52 0.67 -0.62 0.00 0.00 0.00 175.10 174.69 2otj s ASP 66 N 1.93 6.39 0.15 3.32 -1.08 0.62 -4.94 116.67 123.07 2otj s ASP 66 Ca 0.06 -0.06 -0.08 0.00 -0.52 0.00 0.00 52.55 51.95 2otj s ASP 66 Cb -0.17 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 2otj s ASP 66 CO -0.23 -0.72 1.41 -0.07 0.52 0.00 0.00 175.17 176.08 2otj h LEU 67 N 9.64 0.78 -0.10 -1.34 3.38 -1.96 0.69 115.31 126.41 2otj h LEU 67 Ca -0.26 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 2otj h LEU 67 Cb 1.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2otj h LEU 67 CO 0.88 1.22 0.06 -0.78 0.09 0.00 0.00 178.44 179.91 2otj h ASP 68 N 0.50 0.12 0.23 -0.43 1.82 -1.96 -2.65 116.42 114.05 2otj h ASP 68 Ca -0.01 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2otj h ASP 68 Cb 1.23 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2otj h ASP 68 CO 0.13 0.12 -0.22 0.29 -1.61 0.00 0.00 179.24 177.95 2otj n LYS 69 N -5.00 0.89 -3.68 0.28 5.02 -1.24 -4.96 118.16 109.46 2otj n LYS 69 Ca -0.05 -0.50 -0.22 0.00 -2.02 0.00 0.00 58.31 55.51 2otj n LYS 69 Cb 0.05 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2otj n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2otj n ALA 70 N -0.62 -2.12 -2.21 7.82 0.00 0.11 -5.00 120.51 118.49 2otj n ALA 70 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 2otj n ALA 70 Cb 0.34 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.24 2otj n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2otj s VAL 71 N -3.64 0.20 0.08 0.00 1.01 -0.45 -4.70 120.40 112.89 2otj s VAL 71 Ca 0.09 -1.65 0.08 0.00 0.00 0.00 0.00 61.98 60.50 2otj s VAL 71 Cb -0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2otj s VAL 71 CO 0.82 -0.91 -0.20 0.27 0.00 0.00 0.00 175.10 175.07 2otj s ILE 72 N -3.83 1.64 -0.19 2.22 -4.36 -0.51 -0.27 121.20 115.89 2otj s ILE 72 Ca 0.06 -1.39 -0.08 0.00 -0.26 0.00 0.00 60.65 58.98 2otj s ILE 72 Cb 0.07 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 2otj s ILE 72 CO -0.10 0.02 0.09 -1.00 0.24 0.00 0.00 174.94 174.19 2otj s HIS 73 N -1.03 3.28 -0.06 1.37 3.76 0.30 -1.59 115.29 121.32 2otj s HIS 73 Ca 0.06 0.12 0.06 0.00 -0.15 0.00 0.00 55.06 55.15 2otj s HIS 73 Cb -0.09 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 2otj s HIS 73 CO 0.03 0.16 -0.23 0.08 -0.85 0.00 0.00 174.74 173.93 2otj s VAL 74 N 0.48 2.25 0.14 -0.90 1.01 -1.26 -0.32 120.40 121.79 2otj s VAL 74 Ca 0.05 -1.00 -0.35 0.00 0.00 0.00 0.00 61.98 60.68 2otj s VAL 74 Cb -0.12 -1.83 -0.15 0.00 0.00 0.00 0.00 36.38 34.28 2otj s VAL 74 CO 0.00 0.57 1.44 1.21 0.00 0.00 0.00 175.10 178.32 2otj n GLU 75 N 2.84 1.66 0.00 2.72 2.13 0.14 -1.81 120.64 128.31 2otj n GLU 75 Ca -0.17 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2otj n GLU 75 Cb 0.52 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.94 2otj n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2otj n ASP 76 N 2.85 0.00 -4.53 4.31 8.00 -1.26 -4.58 116.55 121.35 2otj n ASP 76 Ca 0.17 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 2otj n ASP 76 Cb 0.25 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2otj n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2otj s VAL 77 N -2.21 4.35 0.36 2.53 1.01 -0.75 -4.93 120.40 120.75 2otj s VAL 77 Ca 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 61.98 60.38 2otj s VAL 77 Cb 0.00 -5.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 2otj s VAL 77 CO 0.00 -1.83 0.12 0.42 0.00 0.00 0.00 175.10 173.82 2otj s THR 78 N 3.66 0.63 0.05 3.92 -4.23 -1.26 -0.70 115.64 117.71 2otj s THR 78 Ca 0.45 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 2otj s THR 78 Cb -0.00 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 2otj s THR 78 CO -0.02 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.12 2otj s LEU 79 N -3.50 2.18 -0.35 4.79 1.43 0.35 -4.70 118.68 118.88 2otj s LEU 79 Ca 0.30 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2otj s LEU 79 Cb 0.05 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.48 2otj s LEU 79 CO 0.16 0.09 0.66 -0.70 0.23 0.00 0.00 176.35 176.79 2otj s GLU 80 N -1.24 3.71 1.14 1.70 2.56 -1.26 -0.89 118.70 124.42 2otj s GLU 80 Ca 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 54.97 54.95 2otj s GLU 80 Cb -0.08 -3.80 0.27 0.00 2.00 0.00 0.00 34.13 32.51 2otj s GLU 80 CO 0.02 -0.74 1.21 0.15 -0.56 0.00 0.00 175.26 175.34 2otj s LYS 81 N 2.77 -0.74 0.06 4.30 1.02 0.42 -4.94 119.74 122.62 2otj s LYS 81 Ca 0.26 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.74 2otj s LYS 81 Cb -0.14 -1.68 -0.12 0.00 -0.52 0.00 0.00 37.83 35.37 2otj s LYS 81 CO 0.15 -3.35 1.40 1.15 -0.92 0.00 0.00 175.35 173.77 2otj h THR 82 N -2.32 1.32 0.00 2.17 2.02 -1.97 -2.94 112.91 111.20 2otj h THR 82 Ca -0.43 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.50 2otj h THR 82 Cb 1.26 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2otj h THR 82 CO 0.31 0.38 0.00 -0.90 0.37 0.00 0.00 175.52 175.67 2otj n ASP 83 N -4.52 0.00 0.00 4.18 5.68 -1.26 -4.81 116.55 115.82 2otj n ASP 83 Ca -0.05 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 2otj n ASP 83 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2otj n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2otj n GLY 84 N 0.00 1.80 3.74 6.12 0.00 -1.11 -5.05 105.19 110.70 2otj n GLY 84 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2otj n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2otj s GLU 85 N -0.62 2.33 -0.32 1.61 2.12 -1.26 -4.69 118.70 117.87 2otj s GLU 85 Ca 0.00 1.52 -0.01 0.00 0.36 0.00 0.00 54.97 56.84 2otj s GLU 85 Cb 0.00 -1.88 0.07 0.00 0.26 0.00 0.00 34.13 32.58 2otj s GLU 85 CO 0.00 -1.64 0.02 -2.00 -0.54 0.00 0.00 175.26 171.10 2otj s GLU 86 N -4.17 2.25 0.07 4.30 2.12 -1.26 -0.44 118.70 121.57 2otj s GLU 86 Ca 0.69 -1.42 0.01 0.00 0.36 0.00 0.00 54.97 54.60 2otj s GLU 86 Cb -0.23 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2otj s GLU 86 CO 0.46 -0.72 0.19 0.14 -0.54 0.00 0.00 175.26 174.80 2otj s VAL 87 N 1.18 5.25 0.37 3.70 -7.23 -0.07 -4.85 120.40 118.75 2otj s VAL 87 Ca -0.02 -0.47 -0.27 0.00 -1.81 0.00 0.00 61.98 59.41 2otj s VAL 87 Cb -0.20 -3.56 -0.09 0.00 0.56 0.00 0.00 36.38 33.08 2otj s VAL 87 CO -0.03 0.13 1.26 -2.16 -0.31 0.00 0.00 175.10 173.99 2otj s PRO 88 N -2.53 4.19 -0.46 4.82 0.04 -1.26 0.13 135.00 139.93 2otj s PRO 88 Ca 0.34 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 63.30 2otj s PRO 88 Cb -0.13 -2.89 0.06 0.00 0.04 0.00 0.00 34.50 31.58 2otj s PRO 88 CO 0.27 -0.28 0.39 0.50 0.04 0.00 0.00 177.00 177.92 2otj s ARG 89 N -2.02 2.99 0.27 4.56 6.06 0.12 -4.69 118.95 126.24 2otj s ARG 89 Ca 0.53 -1.22 -0.30 0.00 -2.50 0.00 0.00 55.73 52.24 2otj s ARG 89 Cb -0.37 -4.09 -0.14 0.00 0.06 0.00 0.00 34.95 30.42 2otj s ARG 89 CO 0.47 -0.96 1.19 -2.30 -2.50 0.00 0.00 175.30 171.20 2otj n PRO 90 N 5.27 1.63 -4.57 5.12 -0.02 -1.26 -4.73 135.00 136.43 2otj n PRO 90 Ca -0.12 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.68 2otj n PRO 90 Cb 0.45 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 2otj n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2otj s LEU 91 N 0.12 2.21 -0.02 2.45 1.43 -0.62 -4.94 118.68 119.31 2otj s LEU 91 Ca 0.63 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 2otj s LEU 91 Cb -0.69 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2otj s LEU 91 CO 0.56 0.15 0.69 -0.62 0.23 0.00 0.00 176.35 177.36 2otj s ASP 92 N -1.40 7.04 0.63 2.29 -1.08 -1.26 -1.43 116.67 121.47 2otj s ASP 92 Ca 0.08 1.25 0.37 0.00 -0.52 0.00 0.00 52.55 53.73 2otj s ASP 92 Cb -0.09 -2.41 2.09 0.00 -1.46 0.00 0.00 42.92 41.04 2otj s ASP 92 CO 0.03 -0.02 2.27 0.71 0.52 0.00 0.00 175.17 178.68 2otj h THR 93 N 4.41 0.23 0.00 1.71 1.35 -1.84 -2.02 112.91 116.75 2otj h THR 93 Ca -0.43 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 2otj h THR 93 Cb 1.20 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2otj h THR 93 CO 0.73 0.00 -0.09 -1.28 -0.25 0.00 0.00 175.52 174.62 2otj h SER 94 N 0.00 0.00 -0.42 5.36 0.87 -1.92 -1.30 113.55 116.15 2otj h SER 94 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2otj h SER 94 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2otj h SER 94 CO -0.00 0.09 0.01 0.59 -0.53 0.00 0.00 176.83 176.99 2otj n ASN 95 N -4.35 4.37 -4.12 6.23 3.02 -0.76 -4.93 115.26 114.73 2otj n ASN 95 Ca -0.03 -2.68 -0.11 0.00 -0.03 0.00 0.00 54.58 51.74 2otj n ASN 95 Cb 0.17 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.60 2otj n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2otj s VAL 96 N -2.26 0.58 -0.07 2.41 0.11 -0.49 -0.70 120.40 119.98 2otj s VAL 96 Ca 0.39 -1.59 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 2otj s VAL 96 Cb 0.30 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2otj s VAL 96 CO 0.11 -0.70 -0.07 -0.60 -3.33 0.00 0.00 175.10 170.51 2otj s ARG 97 N -2.97 1.26 0.11 1.54 3.52 -0.85 -3.44 118.95 118.12 2otj s ARG 97 Ca 0.03 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 2otj s ARG 97 Cb -0.00 -1.22 -0.07 0.00 -1.56 0.00 0.00 34.95 32.11 2otj s ARG 97 CO -0.03 -0.11 1.19 0.08 -0.81 0.00 0.00 175.30 175.62 2otj s VAL 98 N 1.13 3.88 -0.04 7.11 1.01 -0.70 -0.67 120.40 132.12 2otj s VAL 98 Ca -0.07 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.41 2otj s VAL 98 Cb -0.14 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2otj s VAL 98 CO -0.01 0.16 0.15 0.35 0.00 0.00 0.00 175.10 175.75 2otj n THR 99 N 3.37 0.00 -3.75 3.92 -2.24 -0.02 -2.26 114.28 113.31 2otj n THR 99 Ca 0.07 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2otj n THR 99 Cb 0.46 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 2otj n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2otj s ASP 100 N -2.55 -0.38 0.07 3.42 -1.08 -1.14 -4.97 116.67 110.05 2otj s ASP 100 Ca -0.02 0.73 0.05 0.00 -0.52 0.00 0.00 52.55 52.79 2otj s ASP 100 Cb 0.04 0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 42.20 2otj s ASP 100 CO 0.25 -0.13 -0.03 -0.76 0.52 0.00 0.00 175.17 175.02 2otj s LEU 101 N 0.26 3.35 -0.62 -1.34 1.43 -1.26 -0.89 118.68 119.62 2otj s LEU 101 Ca -0.01 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2otj s LEU 101 Cb -0.03 -2.06 0.13 0.00 0.03 0.00 0.00 46.19 44.27 2otj s LEU 101 CO -0.00 0.20 0.64 -0.62 0.23 0.00 0.00 176.35 176.80 2otj s ASP 102 N -2.09 6.29 -0.40 2.29 -1.08 -1.26 -4.86 116.67 115.56 2otj s ASP 102 Ca 0.23 -1.80 0.06 0.00 -0.52 0.00 0.00 52.55 50.52 2otj s ASP 102 Cb -0.11 -2.25 0.70 0.00 -1.46 0.00 0.00 42.92 39.79 2otj s ASP 102 CO 0.15 -0.92 1.87 0.18 0.52 0.00 0.00 175.17 176.97 2otj n LEU 103 N 5.51 6.44 0.20 -1.34 4.77 -1.26 -4.53 117.00 126.79 2otj n LEU 103 Ca -0.07 -3.46 0.14 0.00 -0.03 0.00 0.00 56.01 52.59 2otj n LEU 103 Cb 0.42 -0.80 0.68 0.00 -2.33 0.00 0.00 43.42 41.40 2otj n LEU 103 CO 0.52 0.96 0.92 -0.33 -1.33 0.00 0.00 177.39 178.13 2otj h GLU 104 N 1.67 0.00 -5.40 3.23 5.08 -2.03 -3.41 114.58 113.71 2otj h GLU 104 Ca 0.48 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.24 2otj h GLU 104 Cb 2.64 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 31.77 2otj h GLU 104 CO 0.95 0.00 -0.22 0.34 -1.00 0.00 0.00 179.01 179.07 2otj s ASP 105 N -4.45 6.42 0.20 1.42 2.15 -1.26 -4.97 116.67 116.18 2otj s ASP 105 Ca -0.01 0.49 -0.10 0.00 0.43 0.00 0.00 52.55 53.36 2otj s ASP 105 Cb 0.08 -2.22 0.15 0.00 -0.30 0.00 0.00 42.92 40.63 2otj s ASP 105 CO 0.32 -0.06 1.85 -0.33 -0.17 0.00 0.00 175.17 176.78 2otj h GLU 106 N 7.36 1.00 -0.48 4.34 5.08 -2.00 -2.59 114.58 127.28 2otj h GLU 106 Ca -0.36 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 2otj h GLU 106 Cb 1.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2otj h GLU 106 CO 0.71 0.70 0.07 0.87 -1.00 0.00 0.00 179.01 180.36 2otj h LYS 107 N 1.01 0.80 0.07 2.33 1.57 -1.95 -0.96 116.57 119.44 2otj h LYS 107 Ca 0.27 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2otj h LYS 107 Cb -0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2otj h LYS 107 CO -0.05 0.82 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.52 2otj h ARG 108 N 0.67 -0.09 -0.60 3.15 2.43 -1.93 -1.98 114.38 116.04 2otj h ARG 108 Ca 0.14 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 2otj h ARG 108 Cb 0.41 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 2otj h ARG 108 CO 0.01 0.13 0.23 1.49 -1.51 0.00 0.00 179.97 180.32 2otj h GLU 109 N -0.29 0.41 -0.50 0.20 4.81 -1.44 -0.11 114.58 117.66 2otj h GLU 109 Ca -0.01 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2otj h GLU 109 Cb 0.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2otj h GLU 109 CO 0.01 0.27 0.27 0.00 -0.73 0.00 0.00 179.01 178.83 2otj h ALA 110 N 1.40 0.64 -0.69 2.92 0.00 -1.02 -1.91 119.26 120.59 2otj h ALA 110 Ca 0.30 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2otj h ALA 110 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2otj h ALA 110 CO -0.29 -0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.03 2otj h ARG 111 N 0.52 1.12 -0.71 0.00 3.08 -0.54 -1.40 114.38 116.46 2otj h ARG 111 Ca 0.21 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2otj h ARG 111 Cb 0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2otj h ARG 111 CO -0.13 1.01 0.44 -0.07 -1.07 0.00 0.00 179.97 180.15 2otj h LEU 112 N 1.06 0.73 0.16 3.04 3.38 -0.53 -3.25 115.31 119.90 2otj h LEU 112 Ca 0.21 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.96 2otj h LEU 112 Cb 0.41 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.02 2otj h LEU 112 CO 0.01 0.50 -0.99 -0.33 0.09 0.00 0.00 178.44 177.72 2otj h GLU 113 N 0.87 0.34 -6.57 1.13 5.08 -1.22 -3.45 114.58 110.75 2otj h GLU 113 Ca 0.29 -0.58 -0.59 0.00 -1.00 0.00 0.00 59.36 57.48 2otj h GLU 113 Cb 0.02 0.22 0.09 0.00 0.50 0.00 0.00 28.75 29.58 2otj h GLU 113 CO -0.11 1.28 0.49 -1.13 -1.00 0.00 0.00 179.01 178.54 2otj n SER 114 N -4.03 2.41 0.19 1.42 3.41 -0.54 -4.89 113.62 111.58 2otj n SER 114 Ca -0.15 1.16 0.08 0.00 -0.26 0.00 0.00 58.87 59.69 2otj n SER 114 Cb 0.88 -1.40 0.13 0.00 -0.26 0.00 0.00 64.21 63.57 2otj n SER 114 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2otj h GLU 115 N 3.52 0.00 -0.00 4.33 4.11 -1.89 -3.28 114.58 121.37 2otj h GLU 115 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2otj h GLU 115 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2otj h GLU 115 CO 0.71 0.22 -0.04 -0.25 0.07 0.00 0.00 179.01 179.71 2otj n ASP 116 N -3.16 0.11 -4.17 3.06 8.00 -1.26 -4.89 116.55 114.23 2otj n ASP 116 Ca 0.03 -0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 2otj n ASP 116 Cb 0.61 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 2otj n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2otj s ASP 117 N -2.66 0.77 -0.02 -2.24 -1.08 -1.24 -5.16 116.67 105.03 2otj s ASP 117 Ca 0.25 -1.12 0.05 0.00 -0.52 0.00 0.00 52.55 51.20 2otj s ASP 117 Cb 0.20 0.19 -0.01 0.00 -1.46 0.00 0.00 42.92 41.84 2otj s ASP 117 CO 0.49 -0.61 -0.16 -0.94 0.52 0.00 0.00 175.17 174.47 2otj s SER 118 N -3.06 1.87 0.00 -0.34 1.04 -1.26 -4.76 113.70 107.18 2otj s SER 118 Ca 0.19 -0.29 0.18 0.00 0.48 0.00 0.00 55.95 56.50 2otj s SER 118 Cb 0.07 -0.30 0.14 0.00 0.10 0.00 0.00 66.02 66.03 2otj s SER 118 CO -0.01 0.17 1.07 0.00 0.98 0.00 0.00 173.24 175.45