#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s ILE 2 N 0.00 2.29 0.14 -0.61 -4.36 -1.26 -5.12 121.20 112.28 2otj s ILE 2 Ca 0.00 -0.40 0.04 0.00 -0.26 0.00 0.00 60.65 60.03 2otj s ILE 2 Cb 0.00 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2otj s ILE 2 CO 0.00 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.66 2otj s SER 3 N -4.60 1.62 -0.08 4.36 0.01 -1.26 -5.09 113.70 108.67 2otj s SER 3 Ca 0.63 -1.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2otj s SER 3 Cb -0.09 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 2otj s SER 3 CO 0.44 -0.38 1.86 -0.31 0.41 0.00 0.00 173.24 175.25 2otj s TYR 4 N -3.42 1.61 -2.00 2.43 1.51 -1.26 -4.83 117.35 111.40 2otj s TYR 4 Ca 0.17 0.08 0.26 0.00 -1.01 0.00 0.00 57.07 56.57 2otj s TYR 4 Cb 0.04 -4.05 1.56 0.00 -0.11 0.00 0.00 41.96 39.39 2otj s TYR 4 CO 0.00 -4.34 1.97 -1.13 -1.11 0.00 0.00 175.55 170.94 2otj n SER 5 N 8.31 0.00 -4.03 2.29 3.41 -1.26 -4.78 113.62 117.56 2otj n SER 5 Ca 0.21 -1.06 -0.18 0.00 -0.26 0.00 0.00 58.87 57.58 2otj n SER 5 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 2otj n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2otj s VAL 6 N -2.00 0.73 0.60 -3.33 1.01 -1.26 -5.14 120.40 111.00 2otj s VAL 6 Ca 0.39 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2otj s VAL 6 Cb 0.18 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2otj s VAL 6 CO 0.30 0.14 1.17 -1.61 0.00 0.00 0.00 175.10 175.11 2otj s GLU 7 N -0.39 3.00 -0.15 2.72 2.02 -1.26 -5.05 118.70 119.59 2otj s GLU 7 Ca 0.02 1.71 -0.06 0.00 0.02 0.00 0.00 54.97 56.65 2otj s GLU 7 Cb -0.04 -1.95 0.06 0.00 0.10 0.00 0.00 34.13 32.30 2otj s GLU 7 CO -0.00 -1.15 0.33 0.00 0.02 0.00 0.00 175.26 174.45 2otj s ALA 8 N -1.77 -0.80 -0.38 5.21 0.00 -1.26 -5.11 121.76 117.66 2otj s ALA 8 Ca 0.75 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.64 2otj s ALA 8 Cb -0.27 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 21.90 2otj s ALA 8 CO 0.33 -0.44 1.40 0.34 0.00 0.00 0.00 175.76 177.39 2otj s ASP 9 N 1.87 6.41 0.48 0.00 -1.08 -1.26 -4.91 116.67 118.19 2otj s ASP 9 Ca -0.05 0.96 0.22 0.00 -0.52 0.00 0.00 52.55 53.16 2otj s ASP 9 Cb -0.11 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.07 2otj s ASP 9 CO -0.10 -1.35 1.94 1.55 0.52 0.00 0.00 175.17 177.73 2otj h PRO 10 N 10.41 0.18 0.00 4.34 0.13 -2.00 -1.37 132.00 143.70 2otj h PRO 10 Ca -0.28 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 2otj h PRO 10 Cb 1.11 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2otj h PRO 10 CO 1.07 0.12 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.35 2otj h ASP 11 N 0.19 0.00 0.00 1.44 3.32 -2.04 -3.24 116.42 116.10 2otj h ASP 11 Ca 0.34 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 2otj h ASP 11 Cb 1.07 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2otj h ASP 11 CO -0.06 0.17 -0.60 0.35 -1.72 0.00 0.00 179.24 177.37 2otj n THR 12 N -3.39 0.91 -3.89 0.35 -2.24 -0.69 -5.08 114.28 100.26 2otj n THR 12 Ca -0.00 -1.60 -0.11 0.00 -2.27 0.00 0.00 64.05 60.07 2otj n THR 12 Cb 0.37 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2otj n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2otj s THR 13 N -1.35 0.09 -0.02 4.28 -1.32 -0.60 -2.86 115.64 113.86 2otj s THR 13 Ca 0.27 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 60.09 2otj s THR 13 Cb 0.28 -0.39 -0.01 0.00 -1.51 0.00 0.00 72.50 70.87 2otj s THR 13 CO -0.07 -0.39 -0.19 0.00 -2.21 0.00 0.00 174.62 171.76 2otj s ALA 14 N -1.37 1.58 0.24 11.08 0.00 -0.06 -4.76 121.76 128.46 2otj s ALA 14 Ca -0.15 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.13 2otj s ALA 14 Cb -0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2otj s ALA 14 CO 0.01 0.37 -0.19 0.15 0.00 0.00 0.00 175.76 176.10 2otj s LYS 15 N -0.37 1.70 0.00 0.00 1.02 -1.26 0.12 119.74 120.96 2otj s LYS 15 Ca 0.05 -1.61 -0.28 0.00 0.02 0.00 0.00 55.97 54.15 2otj s LYS 15 Cb -0.08 -1.86 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 2otj s LYS 15 CO -0.00 0.37 0.72 0.00 -0.92 0.00 0.00 175.35 175.52 2otj s ALA 16 N -2.12 -1.75 0.03 5.17 0.00 -0.71 -4.64 121.76 117.74 2otj s ALA 16 Ca 0.26 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 2otj s ALA 16 Cb -0.06 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2otj s ALA 16 CO 0.13 -0.52 0.40 -1.64 0.00 0.00 0.00 175.76 174.14 2otj s MET 17 N -2.16 0.87 0.02 0.00 -1.94 -1.26 -1.54 119.30 113.28 2otj s MET 17 Ca -0.04 -0.31 0.06 0.00 -1.71 0.00 0.00 55.69 53.69 2otj s MET 17 Cb -0.00 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 2otj s MET 17 CO -0.00 -0.29 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.04 2otj s LEU 18 N -1.83 2.63 -0.03 -0.03 1.43 -0.39 -4.96 118.68 115.50 2otj s LEU 18 Ca -0.07 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2otj s LEU 18 Cb -0.02 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2otj s LEU 18 CO -0.00 0.28 -0.16 -0.13 0.23 0.00 0.00 176.35 176.56 2otj s ARG 19 N -1.24 1.51 -1.81 1.70 1.81 -1.26 -2.25 118.95 117.41 2otj s ARG 19 Ca 0.14 -0.58 -0.23 0.00 -1.72 0.00 0.00 55.73 53.34 2otj s ARG 19 Cb -0.11 -1.38 0.23 0.00 -0.45 0.00 0.00 34.95 33.24 2otj s ARG 19 CO 0.04 0.29 0.57 0.39 -0.68 0.00 0.00 175.30 175.91 2otj n GLU 20 N 2.93 -0.75 -2.19 3.54 1.02 -1.15 -4.85 120.64 119.19 2otj n GLU 20 Ca -0.16 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2otj n GLU 20 Cb 0.54 -4.58 -0.03 0.00 -0.02 0.00 0.00 31.44 27.34 2otj n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2otj s ARG 21 N -7.04 4.29 -0.98 3.49 1.81 0.52 -4.52 118.95 116.51 2otj s ARG 21 Ca 0.80 2.02 -0.19 0.00 -1.72 0.00 0.00 55.73 56.64 2otj s ARG 21 Cb -0.47 -3.50 0.11 0.00 -0.45 0.00 0.00 34.95 30.65 2otj s ARG 21 CO 0.99 -0.55 1.24 -0.65 -0.68 0.00 0.00 175.30 175.64 2otj s GLN 22 N 2.11 3.65 0.27 3.54 -0.21 -1.26 0.59 119.66 128.35 2otj s GLN 22 Ca 0.65 -1.69 -0.16 0.00 0.02 0.00 0.00 55.36 54.18 2otj s GLN 22 Cb -0.33 -5.04 0.01 0.00 1.00 0.00 0.00 33.01 28.64 2otj s GLN 22 CO 0.28 -1.88 0.58 0.00 -2.12 0.00 0.00 175.29 172.15 2otj s MET 23 N 3.14 1.68 -0.08 2.91 0.23 -1.21 -5.00 119.30 120.97 2otj s MET 23 Ca 0.37 -1.17 -0.29 0.00 -1.03 0.00 0.00 55.69 53.56 2otj s MET 23 Cb -0.03 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 2otj s MET 23 CO -0.08 -0.73 1.72 0.45 -2.03 0.00 0.00 175.02 174.35 2otj s SER 24 N -2.99 6.52 0.09 -1.18 0.15 -1.26 -4.53 113.70 110.51 2otj s SER 24 Ca 0.18 2.17 -0.18 0.00 0.70 0.00 0.00 55.95 58.82 2otj s SER 24 Cb -0.03 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2otj s SER 24 CO 0.09 -1.06 1.50 0.15 1.20 0.00 0.00 173.24 175.12 2otj h PHE 25 N 10.19 0.57 -0.87 3.44 3.57 -1.95 -2.20 116.94 129.69 2otj h PHE 25 Ca -0.40 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.08 2otj h PHE 25 Cb 1.18 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 2otj h PHE 25 CO 0.90 0.69 0.56 0.87 -2.23 0.00 0.00 178.31 179.11 2otj h LYS 26 N 0.28 0.84 -0.16 1.11 1.57 -2.01 0.34 116.57 118.53 2otj h LYS 26 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2otj h LYS 26 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2otj h LYS 26 CO 0.02 0.56 -0.43 0.45 -0.57 0.00 0.00 179.45 179.48 2otj h HIS 27 N 0.87 0.45 -0.52 -1.35 3.86 -1.89 -3.14 115.15 113.43 2otj h HIS 27 Ca 0.40 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 2otj h HIS 27 Cb 0.40 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2otj h HIS 27 CO -0.00 0.75 -0.11 0.77 0.86 0.00 0.00 177.93 180.19 2otj h SER 28 N 0.31 0.99 -0.67 2.45 0.02 -0.33 -1.75 113.55 114.57 2otj h SER 28 Ca 0.02 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2otj h SER 28 Cb 0.89 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2otj h SER 28 CO 0.07 1.10 0.44 0.11 -1.14 0.00 0.00 176.83 177.41 2otj h LYS 29 N 0.88 0.85 -0.05 3.45 1.57 -1.32 -0.20 116.57 121.75 2otj h LYS 29 Ca 0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2otj h LYS 29 Cb 0.67 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2otj h LYS 29 CO 0.05 0.56 0.03 0.00 -0.57 0.00 0.00 179.45 179.52 2otj h ALA 30 N 1.26 0.06 0.08 3.86 0.00 -1.46 -1.46 119.26 121.60 2otj h ALA 30 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2otj h ALA 30 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2otj h ALA 30 CO -0.07 -0.42 -0.04 0.82 0.00 0.00 0.00 179.25 179.55 2otj h ILE 31 N 0.01 1.01 0.14 0.00 2.04 -1.07 -1.99 117.51 117.66 2otj h ILE 31 Ca 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2otj h ILE 31 Cb 0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2otj h ILE 31 CO -0.00 0.07 -0.32 0.00 0.00 0.00 0.00 178.15 177.90 2otj h ALA 32 N 0.68 -0.88 -0.92 1.87 0.00 -1.02 -0.49 119.26 118.51 2otj h ALA 32 Ca -0.01 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.04 2otj h ALA 32 Cb 0.20 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 2otj h ALA 32 CO 0.02 -0.94 -0.04 -0.09 0.00 0.00 0.00 179.25 178.21 2otj h ARG 33 N -0.50 0.03 -0.26 0.00 2.43 -1.26 0.75 114.38 115.58 2otj h ARG 33 Ca -0.01 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2otj h ARG 33 Cb 0.48 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2otj h ARG 33 CO -0.13 0.02 -0.30 1.49 -1.51 0.00 0.00 179.97 179.54 2otj h GLU 34 N 0.04 0.53 -0.00 0.20 4.57 -0.77 -3.24 114.58 115.91 2otj h GLU 34 Ca 0.52 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2otj h GLU 34 Cb 0.97 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2otj h GLU 34 CO -0.86 0.77 -0.57 0.44 -1.18 0.00 0.00 179.01 177.61 2otj n ILE 35 N -4.09 0.00 -2.02 2.32 -5.35 0.14 -4.87 119.36 105.49 2otj n ILE 35 Ca -0.01 -0.06 -0.42 0.00 -0.27 0.00 0.00 62.75 62.00 2otj n ILE 35 Cb 0.45 0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 38.90 2otj n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2otj s LYS 36 N -2.83 4.26 0.00 6.28 2.20 -0.49 -2.02 119.74 127.15 2otj s LYS 36 Ca 0.14 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 2otj s LYS 36 Cb 0.18 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 2otj s LYS 36 CO 0.69 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 2otj n GLY 37 N 3.20 3.01 3.82 5.54 0.00 -0.89 -5.03 105.19 114.84 2otj n GLY 37 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2otj n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otj s LYS 38 N -0.51 3.32 0.32 1.61 1.02 -0.85 -4.62 119.74 120.03 2otj s LYS 38 Ca 0.00 1.03 -0.28 0.00 0.02 0.00 0.00 55.97 56.74 2otj s LYS 38 Cb 0.00 -2.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 2otj s LYS 38 CO 0.00 -0.80 1.08 0.99 -0.92 0.00 0.00 175.35 175.70 2otj s THR 39 N -2.76 3.57 0.30 2.17 2.01 -1.26 -1.28 115.64 118.38 2otj s THR 39 Ca 0.60 1.45 0.00 0.00 0.31 0.00 0.00 61.69 64.05 2otj s THR 39 Cb -0.14 -3.88 0.38 0.00 0.01 0.00 0.00 72.50 68.88 2otj s THR 39 CO 0.44 0.25 1.59 0.00 -0.69 0.00 0.00 174.62 176.21 2otj h ALA 40 N 3.40 1.11 -0.39 7.40 0.00 0.35 0.27 119.26 131.39 2otj h ALA 40 Ca -0.47 0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2otj h ALA 40 Cb 1.21 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2otj h ALA 40 CO 0.65 -0.53 -0.02 0.78 0.00 0.00 0.00 179.25 180.13 2otj h GLY 41 N 0.04 0.75 0.65 0.00 0.00 -1.42 -2.28 103.07 100.81 2otj h GLY 41 Ca 0.56 -0.57 0.08 0.00 0.00 0.00 0.00 47.33 47.40 2otj h GLY 41 CO -0.86 0.52 0.55 0.83 0.00 0.00 0.00 176.54 177.58 2otj h GLU 42 N 0.52 0.94 -0.09 4.80 5.08 -0.86 -0.78 114.58 124.19 2otj h GLU 42 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2otj h GLU 42 Cb 0.50 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2otj h GLU 42 CO 0.02 0.62 0.05 0.00 -1.00 0.00 0.00 179.01 178.71 2otj h ALA 43 N 1.44 0.11 -0.12 3.43 0.00 -0.61 -0.14 119.26 123.38 2otj h ALA 43 Ca 0.40 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2otj h ALA 43 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2otj h ALA 43 CO -0.20 -0.39 0.01 0.28 0.00 0.00 0.00 179.25 178.95 2otj h VAL 44 N 0.10 0.94 -1.01 0.00 2.07 -0.77 0.11 116.25 117.69 2otj h VAL 44 Ca 0.03 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2otj h VAL 44 Cb 0.01 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2otj h VAL 44 CO -0.01 0.01 0.66 0.44 0.02 0.00 0.00 177.57 178.69 2otj h ASP 45 N 0.06 1.09 0.83 0.57 3.32 -1.01 -1.80 116.42 119.48 2otj h ASP 45 Ca 0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2otj h ASP 45 Cb 0.05 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2otj h ASP 45 CO -0.08 0.74 -0.40 0.22 -1.72 0.00 0.00 179.24 178.00 2otj h TYR 46 N 1.26 -1.03 -0.90 4.55 3.20 -0.29 -2.78 116.97 120.98 2otj h TYR 46 Ca 0.40 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.42 2otj h TYR 46 Cb 0.02 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 2otj h TYR 46 CO -0.00 -0.64 0.58 -0.07 -1.64 0.00 0.00 178.16 176.39 2otj h LEU 47 N -1.27 0.56 -0.82 2.82 3.38 -0.63 0.12 115.31 119.48 2otj h LEU 47 Ca -0.11 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2otj h LEU 47 Cb 0.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2otj h LEU 47 CO 0.19 0.25 -0.28 -0.33 0.09 0.00 0.00 178.44 178.36 2otj h GLU 48 N 0.58 0.56 0.00 1.13 5.08 -1.35 -1.24 114.58 119.34 2otj h GLU 48 Ca 0.47 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2otj h GLU 48 Cb 0.91 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2otj h GLU 48 CO -0.21 0.79 -0.37 0.00 -1.00 0.00 0.00 179.01 178.22 2otj h ALA 49 N 1.20 1.37 -0.07 3.43 0.00 -0.49 0.64 119.26 125.34 2otj h ALA 49 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2otj h ALA 49 Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2otj h ALA 49 CO 0.06 0.47 -0.11 0.28 0.00 0.00 0.00 179.25 179.95 2otj h VAL 50 N 0.00 1.39 -0.14 0.00 2.07 -0.81 0.32 116.25 119.09 2otj h VAL 50 Ca -0.00 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2otj h VAL 50 Cb 0.67 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2otj h VAL 50 CO 0.05 0.38 0.03 0.40 0.02 0.00 0.00 177.57 178.44 2otj h ILE 51 N -0.26 1.08 0.00 4.57 2.04 -0.88 -0.19 117.51 123.86 2otj h ILE 51 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2otj h ILE 51 Cb 0.66 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2otj h ILE 51 CO 0.03 0.10 -0.15 -0.08 0.00 0.00 0.00 178.15 178.05 2otj h GLU 52 N 0.20 0.00 0.00 2.37 4.57 -0.75 -3.48 114.58 117.49 2otj h GLU 52 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2otj h GLU 52 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2otj h GLU 52 CO -0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2otj n GLY 53 N 1.14 0.69 0.03 1.92 0.00 -0.08 -4.93 105.19 103.94 2otj n GLY 53 Ca 0.04 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2otj n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2otj n ASP 54 N 0.30 0.63 -3.76 1.61 8.00 0.98 -4.85 116.55 119.45 2otj n ASP 54 Ca 0.00 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.96 2otj n ASP 54 Cb 0.00 0.80 -0.17 0.00 -0.02 0.00 0.00 41.12 41.73 2otj n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2otj s GLN 55 N -3.16 0.60 0.19 -1.24 2.00 -0.67 -4.96 119.66 112.42 2otj s GLN 55 Ca 0.05 0.05 -0.19 0.00 -2.00 0.00 0.00 55.36 53.27 2otj s GLN 55 Cb 0.15 -1.10 -0.08 0.00 0.80 0.00 0.00 33.01 32.78 2otj s GLN 55 CO 0.80 -0.34 0.69 -1.25 -0.50 0.00 0.00 175.29 174.69 2otj s PRO 56 N 1.97 4.24 -0.22 1.67 0.04 -1.26 -3.82 135.00 137.62 2otj s PRO 56 Ca 0.04 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 2otj s PRO 56 Cb -0.13 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 2otj s PRO 56 CO -0.06 0.45 0.44 0.08 0.04 0.00 0.00 177.00 177.95 2otj s VAL 57 N -1.43 5.16 0.23 -0.36 1.01 0.15 -4.85 120.40 120.30 2otj s VAL 57 Ca 0.40 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.84 2otj s VAL 57 Cb -0.17 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2otj s VAL 57 CO 0.21 0.20 1.59 -2.84 0.00 0.00 0.00 175.10 174.25 2otj s PRO 58 N 1.64 4.18 -0.68 2.72 0.02 -1.26 -1.44 135.00 140.17 2otj s PRO 58 Ca 0.20 2.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.66 2otj s PRO 58 Cb -0.15 -3.09 0.17 0.00 0.02 0.00 0.00 34.50 31.46 2otj s PRO 58 CO 0.09 -0.61 0.51 -0.06 -0.33 0.00 0.00 177.00 176.60 2otj s PHE 59 N 0.57 3.49 0.02 6.54 2.99 -0.06 -4.82 117.98 126.71 2otj s PHE 59 Ca 0.67 -2.76 0.05 0.00 0.00 0.00 0.00 56.93 54.88 2otj s PHE 59 Cb -0.46 -3.21 -0.24 0.00 0.00 0.00 0.00 43.02 39.10 2otj s PHE 59 CO 0.39 -0.82 0.92 0.87 -0.00 0.00 0.00 175.22 176.58 2otj h LYS 60 N 6.83 0.10 0.00 0.44 1.57 -1.93 -3.39 116.57 120.20 2otj h LYS 60 Ca 0.02 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.38 2otj h LYS 60 Cb 0.93 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 2otj h LYS 60 CO 0.73 0.90 -1.80 0.94 -0.57 0.00 0.00 179.45 179.65 2otj n GLN 61 N -3.30 0.52 -2.67 3.15 7.27 -1.26 -4.72 117.38 116.37 2otj n GLN 61 Ca -0.12 0.22 -0.43 0.00 0.07 0.00 0.00 57.00 56.74 2otj n GLN 61 Cb 1.01 -1.38 0.01 0.00 2.41 0.00 0.00 30.24 32.29 2otj n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2otj n HIS 62 N -4.24 2.63 -0.01 3.69 8.25 -1.26 -4.66 115.22 119.62 2otj n HIS 62 Ca -0.35 -2.70 0.01 0.00 -0.26 0.00 0.00 57.72 54.43 2otj n HIS 62 Cb 0.70 -1.61 0.03 0.00 1.12 0.00 0.00 29.99 30.23 2otj n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2otj n ASN 63 N 2.64 2.04 -4.66 0.41 6.94 -1.26 -4.95 115.26 116.41 2otj n ASN 63 Ca 0.33 -1.82 -0.44 0.00 -0.02 0.00 0.00 54.58 52.63 2otj n ASN 63 Cb 0.35 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 2otj n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2otj n SER 64 N -0.15 3.94 0.00 0.53 3.41 -1.26 -1.24 113.62 118.85 2otj n SER 64 Ca 0.03 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2otj n SER 64 Cb 0.25 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 2otj n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2otj n GLY 65 N 4.55 2.22 3.74 5.00 0.00 -1.26 -5.01 105.19 114.43 2otj n GLY 65 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2otj n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otj s VAL 66 N -2.91 3.35 0.57 1.61 1.01 -0.37 -5.01 120.40 118.64 2otj s VAL 66 Ca 0.00 1.17 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 2otj s VAL 66 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2otj s VAL 66 CO 0.00 0.21 1.02 -0.83 0.00 0.00 0.00 175.10 175.50 2otj s GLY 67 N -0.02 2.01 0.46 4.51 0.00 -1.26 -4.83 107.32 108.19 2otj s GLY 67 Ca 0.52 0.21 -0.22 0.00 0.00 0.00 0.00 44.72 45.24 2otj s GLY 67 CO 0.40 0.51 1.07 0.30 0.00 0.00 0.00 173.10 175.37 2otj s HIS 68 N -2.66 3.03 -0.09 1.90 0.09 -1.26 -3.47 115.29 112.82 2otj s HIS 68 Ca 0.60 1.59 0.02 0.00 -0.00 0.00 0.00 55.06 57.27 2otj s HIS 68 Cb -0.12 -3.15 0.01 0.00 -0.00 0.00 0.00 32.58 29.32 2otj s HIS 68 CO 0.38 -0.93 -0.14 0.15 -0.00 0.00 0.00 174.74 174.19 2otj s LYS 69 N -2.94 2.04 0.28 1.40 -0.14 0.24 -4.89 119.74 115.73 2otj s LYS 69 Ca 0.64 -0.50 -0.03 0.00 -1.36 0.00 0.00 55.97 54.72 2otj s LYS 69 Cb -0.20 -1.72 0.38 0.00 -1.68 0.00 0.00 37.83 34.60 2otj s LYS 69 CO 0.25 -0.03 1.95 0.66 -0.76 0.00 0.00 175.35 177.41 2otj h SER 70 N 7.28 1.01 0.47 2.83 4.64 -1.97 -2.33 113.55 125.49 2otj h SER 70 Ca -0.30 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2otj h SER 70 Cb 1.18 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2otj h SER 70 CO 0.48 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 177.47 2otj n LYS 71 N -4.39 0.07 -2.52 4.77 5.02 -1.26 -4.65 118.16 115.20 2otj n LYS 71 Ca 0.10 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 56.16 2otj n LYS 71 Cb 0.03 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 2otj n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2otj s VAL 72 N -2.86 4.44 -0.20 -0.18 1.01 -0.88 -4.95 120.40 116.77 2otj s VAL 72 Ca 0.10 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 2otj s VAL 72 Cb 0.11 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2otj s VAL 72 CO 0.28 -0.18 0.10 -0.62 0.00 0.00 0.00 175.10 174.68 2otj s ASP 73 N 1.71 5.93 0.00 3.32 2.15 -1.26 -4.28 116.67 124.24 2otj s ASP 73 Ca 0.50 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.63 2otj s ASP 73 Cb -0.18 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2otj s ASP 73 CO 0.12 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 2otj n GLY 74 N 3.65 1.74 1.84 2.66 0.00 -1.26 -4.95 105.19 108.87 2otj n GLY 74 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2otj n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2otj n TRP 75 N -2.00 -0.66 0.01 1.61 -0.00 -1.26 -5.13 117.44 110.01 2otj n TRP 75 Ca 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 57.50 56.02 2otj n TRP 75 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 2otj n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2otj n ASP 76 N -2.10 0.11 -4.74 5.87 5.68 -1.26 -4.79 116.55 115.32 2otj n ASP 76 Ca 0.03 0.04 -0.41 0.00 -0.50 0.00 0.00 54.79 53.96 2otj n ASP 76 Cb 0.34 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 2otj n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2otj s ALA 77 N -2.00 3.31 0.13 2.12 0.00 -1.26 -0.59 121.76 123.46 2otj s ALA 77 Ca 0.00 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 2otj s ALA 77 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2otj s ALA 77 CO 0.00 0.04 0.73 0.20 0.00 0.00 0.00 175.76 176.73 2otj s GLY 78 N -0.54 -0.47 0.21 0.00 0.00 -1.23 -0.88 107.32 104.41 2otj s GLY 78 Ca 0.45 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.66 2otj s GLY 78 CO 0.32 0.16 0.28 0.54 0.00 0.00 0.00 173.10 174.40 2otj n ARG 79 N -0.36 0.41 -3.44 2.90 1.74 -0.52 -4.73 116.66 112.65 2otj n ARG 79 Ca -0.12 -1.73 -0.27 0.00 -0.77 0.00 0.00 57.85 54.97 2otj n ARG 79 Cb 0.63 1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 33.62 2otj n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2otj n TYR 80 N -0.35 2.79 -1.56 -1.55 4.02 -1.26 0.30 117.16 119.55 2otj n TYR 80 Ca 0.01 -4.05 -0.22 0.00 -0.01 0.00 0.00 57.90 53.63 2otj n TYR 80 Cb 0.36 -0.51 -0.10 0.00 -0.02 0.00 0.00 39.34 39.07 2otj n TYR 80 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2otj n PRO 81 N 1.14 0.51 0.28 -0.72 -0.02 -1.26 -4.76 135.00 130.16 2otj n PRO 81 Ca 0.27 -1.82 0.12 0.00 -2.02 0.00 0.00 63.50 60.05 2otj n PRO 81 Cb 0.43 -3.69 0.79 0.00 -0.02 0.00 0.00 33.50 31.00 2otj n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2otj h GLU 82 N 10.85 0.00 0.10 -0.52 -0.00 -1.92 0.19 114.58 123.28 2otj h GLU 82 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.46 2otj h GLU 82 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 2otj h GLU 82 CO 1.22 0.05 -0.05 -0.22 -0.00 0.00 0.00 179.01 180.01 2otj h LYS 83 N 0.00 -0.13 -0.56 1.06 3.64 -1.99 -2.01 116.57 116.57 2otj h LYS 83 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2otj h LYS 83 Cb 0.12 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2otj h LYS 83 CO 0.01 -0.09 0.38 0.00 -2.27 0.00 0.00 179.45 177.47 2otj h ALA 84 N -1.24 1.86 -0.65 5.00 0.00 -1.92 0.33 119.26 122.64 2otj h ALA 84 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2otj h ALA 84 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2otj h ALA 84 CO 0.02 0.04 0.11 1.03 0.00 0.00 0.00 179.25 180.46 2otj h SER 85 N 0.52 1.01 -0.48 0.00 0.87 -1.04 -1.83 113.55 112.60 2otj h SER 85 Ca 0.24 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2otj h SER 85 Cb 0.30 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2otj h SER 85 CO -0.07 1.00 0.04 0.11 -0.53 0.00 0.00 176.83 177.38 2otj h LYS 86 N 0.99 0.82 -0.40 2.24 1.57 -0.19 -2.70 116.57 118.91 2otj h LYS 86 Ca 0.20 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2otj h LYS 86 Cb 0.42 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2otj h LYS 86 CO 0.01 0.85 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 2otj h ALA 87 N 0.94 1.67 -0.01 3.86 0.00 -0.90 -0.14 119.26 124.68 2otj h ALA 87 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2otj h ALA 87 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2otj h ALA 87 CO 0.02 0.29 -0.53 0.74 0.00 0.00 0.00 179.25 179.77 2otj h PHE 88 N 0.54 0.02 -0.61 0.00 -1.00 -1.11 -2.23 116.94 112.55 2otj h PHE 88 Ca 0.14 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 2otj h PHE 88 Cb -0.02 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 2otj h PHE 88 CO 0.00 0.54 0.11 -0.07 -1.61 0.00 0.00 178.31 177.28 2otj h LEU 89 N 0.01 0.94 -0.80 1.54 3.38 -0.72 0.28 115.31 119.95 2otj h LEU 89 Ca -0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2otj h LEU 89 Cb 0.94 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2otj h LEU 89 CO 0.07 0.93 0.36 0.44 0.09 0.00 0.00 178.44 180.33 2otj h ASP 90 N 0.93 1.06 -0.55 -0.43 3.32 -1.13 0.38 116.42 120.00 2otj h ASP 90 Ca 0.19 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2otj h ASP 90 Cb 0.39 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2otj h ASP 90 CO 0.01 0.92 0.27 0.25 -1.72 0.00 0.00 179.24 178.97 2otj h LEU 91 N 1.14 0.72 -0.63 1.55 5.85 -0.78 -1.48 115.31 121.68 2otj h LEU 91 Ca 0.27 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 2otj h LEU 91 Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2otj h LEU 91 CO -0.03 0.64 -0.60 -0.07 -0.34 0.00 0.00 178.44 178.04 2otj h LEU 92 N 0.75 0.31 -1.01 2.25 3.38 -0.31 0.09 115.31 120.77 2otj h LEU 92 Ca 0.19 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2otj h LEU 92 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2otj h LEU 92 CO -0.03 0.84 -0.06 -0.08 0.09 0.00 0.00 178.44 179.20 2otj h GLU 93 N 0.21 0.64 0.01 1.13 4.81 0.02 -0.99 114.58 120.41 2otj h GLU 93 Ca -0.01 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2otj h GLU 93 Cb 1.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2otj h GLU 93 CO 0.10 0.71 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.10 2otj h ASN 94 N 0.60 -0.01 0.04 1.04 -1.24 -1.06 -1.93 115.58 113.01 2otj h ASN 94 Ca 0.11 -0.74 0.02 0.00 0.71 0.00 0.00 56.30 56.40 2otj h ASN 94 Cb 0.47 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 2otj h ASN 94 CO 0.02 0.75 -0.19 0.00 -1.29 0.00 0.00 177.43 176.73 2otj h ALA 95 N 0.15 -0.27 0.00 1.57 0.00 -0.91 0.35 119.26 120.14 2otj h ALA 95 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2otj h ALA 95 Cb 0.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2otj h ALA 95 CO 0.00 -0.70 -0.26 0.28 0.00 0.00 0.00 179.25 178.57 2otj h VAL 96 N -0.33 1.18 -0.03 0.00 2.07 -1.32 0.15 116.25 117.96 2otj h VAL 96 Ca 0.04 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2otj h VAL 96 Cb 0.39 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2otj h VAL 96 CO -0.15 0.26 0.00 1.23 0.02 0.00 0.00 177.57 178.93 2otj h GLY 97 N 0.80 0.06 1.46 2.17 0.00 -0.42 -1.65 103.07 105.49 2otj h GLY 97 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2otj h GLY 97 CO 0.03 0.04 0.15 3.43 0.00 0.00 0.00 176.54 180.19 2otj h ASN 98 N -0.23 0.64 0.40 0.19 -0.26 0.00 -2.68 115.58 113.64 2otj h ASN 98 Ca 0.01 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 2otj h ASN 98 Cb 0.32 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 2otj h ASN 98 CO 0.00 0.61 -0.33 0.00 -1.06 0.00 0.00 177.43 176.66 2otj h ALA 99 N 1.48 -0.74 -0.88 -0.83 0.00 -0.46 -3.05 119.26 114.78 2otj h ALA 99 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2otj h ALA 99 Cb 0.20 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2otj h ALA 99 CO -0.01 -0.94 0.57 -0.44 0.00 0.00 0.00 179.25 178.42 2otj h ASP 100 N -0.73 1.02 0.06 0.00 3.32 -1.14 -1.87 116.42 117.08 2otj h ASP 100 Ca -0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2otj h ASP 100 Cb 0.63 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2otj h ASP 100 CO -0.01 0.76 0.00 1.57 -1.72 0.00 0.00 179.24 179.83 2otj n HIS 101 N -4.45 0.47 0.79 4.55 -0.00 -1.02 -0.26 115.22 115.30 2otj n HIS 101 Ca 0.09 0.24 0.10 0.00 0.46 0.00 0.00 57.72 58.61 2otj n HIS 101 Cb 0.03 -0.88 0.08 0.00 -0.12 0.00 0.00 29.99 29.10 2otj n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2otj n GLN 102 N -1.98 1.66 -0.34 1.57 6.02 -0.75 -4.96 117.38 118.60 2otj n GLN 102 Ca -0.01 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 2otj n GLN 102 Cb 0.04 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2otj n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2otj n GLY 103 N 1.08 0.81 3.95 1.08 0.00 0.64 -5.08 105.19 107.67 2otj n GLY 103 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2otj n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2otj s PHE 104 N -2.06 3.02 -0.99 1.61 0.40 -0.94 -5.00 117.98 114.02 2otj s PHE 104 Ca 0.00 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2otj s PHE 104 Cb 0.00 -2.75 0.25 0.00 0.51 0.00 0.00 43.02 41.03 2otj s PHE 104 CO 0.00 -0.87 0.96 0.34 0.70 0.00 0.00 175.22 176.35 2otj s ASP 105 N -4.38 7.08 0.11 1.36 2.15 -1.26 -4.01 116.67 117.72 2otj s ASP 105 Ca 0.55 -3.21 -0.23 0.00 0.43 0.00 0.00 52.55 50.09 2otj s ASP 105 Cb -0.10 -2.21 -0.06 0.00 -0.30 0.00 0.00 42.92 40.25 2otj s ASP 105 CO 0.41 -0.41 1.40 1.23 -0.17 0.00 0.00 175.17 177.63 2otj h GLY 106 N 7.14 -1.34 -0.02 2.66 0.00 -1.86 -2.50 103.07 107.16 2otj h GLY 106 Ca 0.15 0.88 0.17 0.00 0.00 0.00 0.00 47.33 48.52 2otj h GLY 106 CO 0.90 -0.25 0.29 0.83 0.00 0.00 0.00 176.54 178.30 2otj h GLU 107 N -0.05 0.37 0.00 4.80 5.08 -1.92 -1.30 114.58 121.55 2otj h GLU 107 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2otj h GLU 107 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2otj h GLU 107 CO -0.64 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 177.61 2otj n ALA 108 N -2.56 2.02 -1.77 3.43 0.00 -0.95 -1.19 120.51 119.49 2otj n ALA 108 Ca 0.16 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2otj n ALA 108 Cb 0.49 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 2otj n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2otj s MET 109 N -2.78 3.55 -0.01 0.00 -1.94 -0.49 -4.68 119.30 112.95 2otj s MET 109 Ca 0.15 1.46 -0.18 0.00 -1.71 0.00 0.00 55.69 55.41 2otj s MET 109 Cb 0.14 -2.05 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 2otj s MET 109 CO 0.35 -0.66 0.52 0.99 -0.01 0.00 0.00 175.02 176.21 2otj s THR 110 N -1.93 4.95 -1.01 2.05 2.01 0.14 0.52 115.64 122.38 2otj s THR 110 Ca 0.69 1.08 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 2otj s THR 110 Cb -0.20 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 2otj s THR 110 CO 0.25 0.47 1.72 -0.63 -0.69 0.00 0.00 174.62 175.74 2otj s ILE 111 N -0.47 3.71 0.16 1.82 1.01 -0.41 -0.51 121.20 126.52 2otj s ILE 111 Ca 0.28 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2otj s ILE 111 Cb -0.17 -4.59 0.05 0.00 0.01 0.00 0.00 42.46 37.75 2otj s ILE 111 CO 0.15 -1.45 1.63 0.50 0.00 0.00 0.00 174.94 175.77 2otj h LYS 112 N 10.24 0.96 -3.07 2.79 3.64 -1.09 -2.37 116.57 127.67 2otj h LYS 112 Ca 0.18 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2otj h LYS 112 Cb 0.99 -0.10 -0.26 0.00 -0.41 0.00 0.00 32.23 32.45 2otj h LYS 112 CO 1.32 0.94 -0.42 -1.58 -2.27 0.00 0.00 179.45 177.44 2otj s HIS 113 N -5.10 -0.31 -0.27 1.91 5.04 -1.02 -4.87 115.29 110.67 2otj s HIS 113 Ca -0.12 0.74 -0.10 0.00 -1.54 0.00 0.00 55.06 54.03 2otj s HIS 113 Cb 0.13 0.09 0.11 0.00 0.04 0.00 0.00 32.58 32.95 2otj s HIS 113 CO 0.83 -0.16 0.60 0.54 -2.34 0.00 0.00 174.74 174.21 2otj s VAL 114 N 0.42 -0.79 -0.11 0.89 0.11 -1.26 -0.08 120.40 119.58 2otj s VAL 114 Ca -0.02 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 2otj s VAL 114 Cb -0.04 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2otj s VAL 114 CO -0.02 0.01 0.34 0.00 -3.33 0.00 0.00 175.10 172.11 2otj s ALA 115 N 2.66 -0.85 -0.01 1.54 0.00 -1.05 -4.73 121.76 119.32 2otj s ALA 115 Ca -0.06 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2otj s ALA 115 Cb -0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2otj s ALA 115 CO -0.18 -0.18 0.19 0.00 0.00 0.00 0.00 175.76 175.59 2otj s ALA 116 N -0.08 3.94 -0.04 0.00 0.00 -1.26 -1.82 121.76 122.50 2otj s ALA 116 Ca -0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 2otj s ALA 116 Cb -0.03 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.21 2otj s ALA 116 CO 0.01 0.73 0.01 -1.01 0.00 0.00 0.00 175.76 175.50 2otj s HIS 117 N -1.31 0.38 -0.49 0.00 3.76 -0.25 -4.96 115.29 112.42 2otj s HIS 117 Ca 0.27 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.88 2otj s HIS 117 Cb -0.13 -0.51 0.02 0.00 1.11 0.00 0.00 32.58 33.07 2otj s HIS 117 CO 0.18 -0.18 1.31 0.21 -0.85 0.00 0.00 174.74 175.41 2otj s LYS 118 N 1.34 3.54 0.00 1.40 2.20 -1.26 -1.50 119.74 125.46 2otj s LYS 118 Ca -0.05 0.64 0.26 0.00 -0.36 0.00 0.00 55.97 56.45 2otj s LYS 118 Cb -0.13 -4.02 0.66 0.00 -1.51 0.00 0.00 37.83 32.83 2otj s LYS 118 CO -0.02 -1.62 1.51 0.28 -0.36 0.00 0.00 175.35 175.13 2otj n VAL 119 N 6.92 0.00 -2.42 4.02 0.31 -0.19 -4.99 118.33 121.99 2otj n VAL 119 Ca 0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2otj n VAL 119 Cb 0.49 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 2otj n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2otj n GLY 120 N 1.42 -1.07 2.97 2.92 0.00 -1.15 -4.97 105.19 105.31 2otj n GLY 120 Ca 0.09 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 2otj n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 121 N -1.95 0.57 -0.45 1.61 2.02 -1.26 0.72 118.70 119.97 2otj s GLU 121 Ca 0.00 -0.21 -0.23 0.00 0.02 0.00 0.00 54.97 54.55 2otj s GLU 121 Cb 0.00 -0.56 0.02 0.00 0.10 0.00 0.00 34.13 33.69 2otj s GLU 121 CO 0.00 0.11 0.80 -1.14 0.02 0.00 0.00 175.26 175.04 2otj s GLN 122 N 0.02 3.44 0.27 1.61 0.74 0.13 -4.88 119.66 120.98 2otj s GLN 122 Ca 0.00 -0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.06 2otj s GLN 122 Cb -0.05 -3.93 -0.10 0.00 1.10 0.00 0.00 33.01 30.04 2otj s GLN 122 CO -0.00 -1.11 1.30 -0.65 -0.55 0.00 0.00 175.29 174.27 2otj s GLN 123 N 3.33 4.39 0.17 1.67 -0.21 -1.26 -1.21 119.66 126.53 2otj s GLN 123 Ca 0.31 2.12 0.02 0.00 0.02 0.00 0.00 55.36 57.83 2otj s GLN 123 Cb -0.12 -3.13 -0.05 0.00 1.00 0.00 0.00 33.01 30.71 2otj s GLN 123 CO 0.23 -0.19 -0.02 0.20 -2.12 0.00 0.00 175.29 173.38 2otj s GLY 124 N -0.12 1.19 -0.09 3.09 0.00 -1.07 -4.92 107.32 105.40 2otj s GLY 124 Ca 0.52 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 2otj s GLY 124 CO 0.45 -1.55 0.06 -1.60 0.00 0.00 0.00 173.10 170.46 2otj s ARG 125 N -3.88 0.11 -0.22 2.90 6.06 -1.26 -1.13 118.95 121.53 2otj s ARG 125 Ca 0.22 0.16 -0.07 0.00 -2.50 0.00 0.00 55.73 53.54 2otj s ARG 125 Cb 0.05 -1.04 -0.03 0.00 0.06 0.00 0.00 34.95 33.99 2otj s ARG 125 CO 0.03 -0.44 0.06 0.21 -2.50 0.00 0.00 175.30 172.66 2otj s LYS 126 N 2.11 3.75 0.36 5.12 2.47 -0.18 -4.89 119.74 128.48 2otj s LYS 126 Ca 0.04 -0.44 -0.28 0.00 -1.56 0.00 0.00 55.97 53.73 2otj s LYS 126 Cb -0.13 -3.27 -0.10 0.00 -1.46 0.00 0.00 37.83 32.87 2otj s LYS 126 CO -0.05 -0.03 1.31 -2.14 0.16 0.00 0.00 175.35 174.60 2otj s PRO 127 N 1.18 4.20 0.39 4.03 0.02 -1.26 -1.32 135.00 142.23 2otj s PRO 127 Ca 0.04 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.28 2otj s PRO 127 Cb -0.14 -2.95 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 2otj s PRO 127 CO 0.03 -0.31 0.03 0.54 -0.33 0.00 0.00 177.00 176.96 2otj n ARG 128 N 0.53 0.92 -1.35 5.54 5.12 0.20 -4.89 116.66 122.74 2otj n ARG 128 Ca 0.01 -2.93 -0.29 0.00 -1.93 0.00 0.00 57.85 52.71 2otj n ARG 128 Cb 0.42 0.97 0.14 0.00 -1.16 0.00 0.00 32.46 32.84 2otj n ARG 128 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2otj s ALA 129 N -2.75 1.52 -1.41 7.54 0.00 -1.26 -3.99 121.76 121.42 2otj s ALA 129 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2otj s ALA 129 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2otj s ALA 129 CO 0.03 -2.40 0.00 -1.33 0.00 0.00 0.00 175.76 172.06 2otj n MET 130 N -3.88 -1.09 -1.26 0.00 2.81 -1.26 -3.09 117.12 109.35 2otj n MET 130 Ca 0.06 0.95 -0.04 0.00 -1.81 0.00 0.00 57.70 56.86 2otj n MET 130 Cb 0.57 -5.08 -0.02 0.00 -0.71 0.00 0.00 33.22 27.99 2otj n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2otj n GLY 131 N -1.02 0.62 3.44 3.03 0.00 -1.26 -5.04 105.19 104.97 2otj n GLY 131 Ca -0.13 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2otj n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otj s ARG 132 N -2.63 1.60 0.15 1.61 3.52 -1.18 -5.01 118.95 117.01 2otj s ARG 132 Ca 0.00 -1.29 0.09 0.00 -0.13 0.00 0.00 55.73 54.39 2otj s ARG 132 Cb 0.00 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 2otj s ARG 132 CO 0.00 0.46 -0.20 0.00 -0.81 0.00 0.00 175.30 174.75 2otj s ALA 133 N -1.18 2.01 0.29 6.12 0.00 -1.26 0.62 121.76 128.35 2otj s ALA 133 Ca 0.17 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2otj s ALA 133 Cb -0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2otj s ALA 133 CO 0.08 0.30 0.09 -1.54 0.00 0.00 0.00 175.76 174.70 2otj s SER 134 N -2.42 1.64 0.49 0.00 1.04 -0.44 -4.90 113.70 109.11 2otj s SER 134 Ca 0.13 -1.41 -0.22 0.00 0.48 0.00 0.00 55.95 54.93 2otj s SER 134 Cb -0.07 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 2otj s SER 134 CO 0.06 -0.71 1.23 0.00 0.98 0.00 0.00 173.24 174.80 2otj s ALA 135 N -3.58 2.92 -0.45 5.32 0.00 -1.26 -1.01 121.76 123.68 2otj s ALA 135 Ca 0.37 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.47 2otj s ALA 135 Cb 0.08 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.96 2otj s ALA 135 CO 0.15 -0.91 0.62 1.87 0.00 0.00 0.00 175.76 177.48 2otj n TRP 136 N -0.69 -2.12 -3.33 0.00 -0.00 -0.28 -4.65 117.44 106.37 2otj n TRP 136 Ca 0.08 -2.50 -0.19 0.00 -0.00 0.00 0.00 57.50 54.90 2otj n TRP 136 Cb 0.47 0.74 0.00 0.00 -0.00 0.00 0.00 31.31 32.52 2otj n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2otj s ASN 137 N -0.51 5.89 -0.11 5.87 0.01 -1.26 -2.59 114.94 122.24 2otj s ASN 137 Ca 0.33 -0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 2otj s ASN 137 Cb 0.11 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.61 2otj s ASN 137 CO -0.15 -0.53 -0.23 -0.44 -1.51 0.00 0.00 177.10 174.24 2otj s SER 138 N -4.21 3.09 0.43 -1.22 0.01 -0.35 -4.92 113.70 106.53 2otj s SER 138 Ca 0.47 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 56.92 2otj s SER 138 Cb -0.10 -1.42 -0.08 0.00 0.21 0.00 0.00 66.02 64.64 2otj s SER 138 CO 0.32 0.13 1.17 -2.84 0.41 0.00 0.00 173.24 172.44 2otj s PRO 139 N 0.50 3.90 -0.21 12.44 0.02 -1.26 0.18 135.00 150.56 2otj s PRO 139 Ca -0.15 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 62.67 2otj s PRO 139 Cb -0.17 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.81 2otj s PRO 139 CO 0.05 -0.45 -0.10 -0.65 -0.33 0.00 0.00 177.00 175.53 2otj s GLN 140 N -2.50 3.23 -0.06 5.54 -0.21 0.22 -3.31 119.66 122.57 2otj s GLN 140 Ca 0.60 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 55.33 2otj s GLN 140 Cb -0.30 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 2otj s GLN 140 CO 0.37 -0.21 -0.22 0.08 -2.12 0.00 0.00 175.29 173.19 2otj s VAL 141 N 1.41 2.32 0.21 1.09 1.01 0.20 -1.03 120.40 125.61 2otj s VAL 141 Ca 0.05 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2otj s VAL 141 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2otj s VAL 141 CO -0.07 0.57 0.13 -1.81 0.00 0.00 0.00 175.10 173.92 2otj s ASP 142 N -0.24 5.33 -0.28 3.32 1.11 -0.56 -0.35 116.67 125.00 2otj s ASP 142 Ca -0.01 -0.26 -0.13 0.00 0.18 0.00 0.00 52.55 52.34 2otj s ASP 142 Cb -0.13 -1.32 0.10 0.00 1.07 0.00 0.00 42.92 42.64 2otj s ASP 142 CO 0.03 0.02 0.64 0.54 1.18 0.00 0.00 175.17 177.58 2otj s VAL 143 N -1.95 -0.47 0.22 -1.27 0.11 -0.95 -1.09 120.40 115.00 2otj s VAL 143 Ca 0.31 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2otj s VAL 143 Cb -0.09 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2otj s VAL 143 CO 0.23 0.01 0.40 -1.83 -3.33 0.00 0.00 175.10 170.58 2otj s GLU 144 N 2.22 3.50 -0.18 1.54 -1.05 -0.76 -1.26 118.70 122.72 2otj s GLU 144 Ca -0.08 -0.41 -0.11 0.00 -0.15 0.00 0.00 54.97 54.21 2otj s GLU 144 Cb -0.09 -2.83 0.06 0.00 -0.44 0.00 0.00 34.13 30.83 2otj s GLU 144 CO -0.19 0.37 0.44 -1.17 0.95 0.00 0.00 175.26 175.66 2otj s LEU 145 N -3.55 -0.03 -0.21 1.83 2.96 -0.59 -2.54 118.68 116.54 2otj s LEU 145 Ca 0.38 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 2otj s LEU 145 Cb -0.11 1.46 0.05 0.00 0.50 0.00 0.00 46.19 48.10 2otj s LEU 145 CO 0.30 -0.19 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.47 2otj s ILE 146 N 1.09 1.31 0.22 6.68 1.01 0.89 -1.73 121.20 130.67 2otj s ILE 146 Ca -0.07 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 2otj s ILE 146 Cb -0.07 -1.56 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 2otj s ILE 146 CO -0.10 -0.03 0.62 -0.76 0.00 0.00 0.00 174.94 174.67 2otj s LEU 147 N 1.51 4.22 -0.03 2.97 1.43 0.12 -0.45 118.68 128.46 2otj s LEU 147 Ca -0.03 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.14 2otj s LEU 147 Cb -0.17 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.42 2otj s LEU 147 CO -0.07 -0.03 0.12 -0.70 0.23 0.00 0.00 176.35 175.90 2otj s GLU 148 N -2.46 0.30 0.35 1.70 2.12 0.33 -0.88 118.70 120.15 2otj s GLU 148 Ca 0.45 -0.10 -0.28 0.00 0.36 0.00 0.00 54.97 55.40 2otj s GLU 148 Cb -0.13 0.13 -0.11 0.00 0.26 0.00 0.00 34.13 34.28 2otj s GLU 148 CO 0.20 -0.06 1.43 -1.21 -0.54 0.00 0.00 175.26 175.08 2otj s GLU 149 N -0.61 4.19 0.00 4.30 2.02 -1.13 -0.68 118.70 126.79 2otj s GLU 149 Ca -0.07 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.37 2otj s GLU 149 Cb -0.04 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2otj s GLU 149 CO 0.01 -0.43 0.47 -2.30 0.02 0.00 0.00 175.26 173.03