#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjp n GLY 2 N 0.00 -0.60 3.43 0.00 0.00 -1.26 -5.12 105.19 101.64 2qjp n GLY 2 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 2qjp n GLY 2 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qjp s GLY 3 N 0.00 1.83 0.00 -0.02 0.00 -1.26 -4.77 107.32 103.09 2qjp s GLY 3 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2qjp s GLY 3 CO 0.00 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.35 2qjp n GLY 4 N 4.95 1.18 3.17 0.20 0.00 -1.26 -4.92 105.19 108.50 2qjp n GLY 4 Ca -0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2qjp n GLY 4 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qjp s HIS 5 N 1.08 2.07 0.27 1.61 5.65 -1.26 -4.63 115.29 120.08 2qjp s HIS 5 Ca 0.00 -0.71 0.11 0.00 0.25 0.00 0.00 55.06 54.71 2qjp s HIS 5 Cb 0.00 -1.40 -0.05 0.00 -1.18 0.00 0.00 32.58 29.96 2qjp s HIS 5 CO 0.00 -0.27 -0.10 0.14 -0.65 0.00 0.00 174.74 173.86 2qjp s VAL 6 N 0.19 2.97 0.09 0.89 -7.23 -1.26 -4.87 120.40 111.18 2qjp s VAL 6 Ca -0.10 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 57.63 2qjp s VAL 6 Cb -0.15 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.15 2qjp s VAL 6 CO 0.05 -0.37 1.45 -1.61 -0.31 0.00 0.00 175.10 174.32 2qjp s GLU 7 N -3.53 4.28 -0.70 4.82 0.41 -1.26 -4.95 118.70 117.78 2qjp s GLU 7 Ca 0.30 2.13 -0.24 0.00 -0.41 0.00 0.00 54.97 56.74 2qjp s GLU 7 Cb -0.06 -3.35 0.05 0.00 -1.78 0.00 0.00 34.13 28.99 2qjp s GLU 7 CO 0.17 -0.53 1.11 0.34 -0.49 0.00 0.00 175.26 175.86 2qjp s ASP 8 N 1.46 6.17 -0.04 -0.19 2.15 -1.26 -4.74 116.67 120.22 2qjp s ASP 8 Ca 0.66 -0.76 -0.16 0.00 0.43 0.00 0.00 52.55 52.72 2qjp s ASP 8 Cb -0.37 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 39.72 2qjp s ASP 8 CO 0.30 -1.62 0.44 -0.69 -0.17 0.00 0.00 175.17 173.44 2qjp s VAL 9 N 4.80 5.06 -1.31 1.11 1.01 -1.26 -5.01 120.40 124.79 2qjp s VAL 9 Ca 0.28 0.91 -0.09 0.00 0.00 0.00 0.00 61.98 63.08 2qjp s VAL 9 Cb -0.13 -3.76 0.14 0.00 0.00 0.00 0.00 36.38 32.63 2qjp s VAL 9 CO 0.12 0.49 2.06 -0.81 0.00 0.00 0.00 175.10 176.96 2qjp n PRO 10 N 2.46 3.84 -1.60 2.72 -0.04 -1.26 -4.94 135.00 136.18 2qjp n PRO 10 Ca -0.11 -3.43 -0.37 0.00 -0.04 0.00 0.00 63.50 59.55 2qjp n PRO 10 Cb 0.52 -2.86 0.06 0.00 -0.04 0.00 0.00 33.50 31.18 2qjp n PRO 10 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qjp n PHE 11 N 3.40 0.91 -0.22 0.54 3.72 -1.26 -4.92 117.46 119.63 2qjp n PHE 11 Ca 0.47 0.42 -0.01 0.00 -0.05 0.00 0.00 57.45 58.29 2qjp n PHE 11 Cb 0.33 -2.14 0.21 0.00 -0.94 0.00 0.00 39.48 36.94 2qjp n PHE 11 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2qjp h SER 12 N 0.36 0.89 0.85 4.37 4.64 -1.95 -3.13 113.55 119.57 2qjp h SER 12 Ca -0.49 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2qjp h SER 12 Cb 1.36 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2qjp h SER 12 CO 0.50 0.70 0.00 2.22 -0.87 0.00 0.00 176.83 179.38 2qjp n PHE 13 N -4.37 0.32 -1.23 4.77 1.16 -1.11 -2.40 117.46 114.59 2qjp n PHE 13 Ca 0.07 0.11 -0.30 0.00 -1.87 0.00 0.00 57.45 55.46 2qjp n PHE 13 Cb 0.09 -0.68 0.11 0.00 -1.61 0.00 0.00 39.48 37.39 2qjp n PHE 13 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2qjp s GLU 14 N -3.08 1.80 0.00 3.97 2.02 -1.19 -4.15 118.70 118.07 2qjp s GLU 14 Ca 0.09 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.09 2qjp s GLU 14 Cb 0.13 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.50 2qjp s GLU 14 CO 0.42 -1.92 0.00 0.41 0.02 0.00 0.00 175.26 174.19 2qjp n GLY 15 N -1.17 -2.14 0.11 -1.39 0.00 -1.26 -2.50 105.19 96.83 2qjp n GLY 15 Ca 0.08 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.81 2qjp n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qjp n PRO 16 N -1.02 0.08 -0.00 1.61 -0.04 -1.26 -1.28 135.00 133.09 2qjp n PRO 16 Ca 0.00 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.08 2qjp n PRO 16 Cb 0.00 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 2qjp n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qjp n PHE 17 N -1.95 0.00 -1.11 0.54 3.72 -1.26 -4.95 117.46 112.44 2qjp n PHE 17 Ca -0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 2qjp n PHE 17 Cb 0.07 -0.07 0.10 0.00 -0.94 0.00 0.00 39.48 38.64 2qjp n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qjp n GLY 18 N 1.44 -1.11 3.31 1.37 0.00 -0.41 -5.02 105.19 104.76 2qjp n GLY 18 Ca 0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 2qjp n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qjp s THR 19 N -2.08 0.07 0.84 2.61 -4.23 -1.01 -4.79 115.64 107.05 2qjp s THR 19 Ca 0.66 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 2qjp s THR 19 Cb -0.30 -1.14 0.10 0.00 1.34 0.00 0.00 72.50 72.49 2qjp s THR 19 CO 0.57 -0.33 1.11 -0.36 -0.54 0.00 0.00 174.62 175.08 2qjp s PHE 20 N -3.62 2.20 -0.45 3.99 0.08 -1.26 -2.74 117.98 116.18 2qjp s PHE 20 Ca 0.02 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 58.62 2qjp s PHE 20 Cb 0.02 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.42 2qjp s PHE 20 CO -0.11 -2.22 0.29 0.34 -0.10 0.00 0.00 175.22 173.42 2qjp s ASP 21 N -3.12 5.57 0.31 1.36 -1.08 -1.26 -4.94 116.67 113.51 2qjp s ASP 21 Ca 0.63 -1.87 0.03 0.00 -0.52 0.00 0.00 52.55 50.82 2qjp s ASP 21 Cb -0.19 -1.96 0.79 0.00 -1.46 0.00 0.00 42.92 40.10 2qjp s ASP 21 CO 0.57 -0.63 1.58 -0.61 0.52 0.00 0.00 175.17 176.60 2qjp h GLN 22 N 8.34 0.03 -0.20 4.34 4.15 -1.92 0.12 115.11 129.97 2qjp h GLN 22 Ca -0.19 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.06 2qjp h GLN 22 Cb 1.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 2qjp h GLN 22 CO 0.80 0.02 -0.54 0.45 -1.93 0.00 0.00 178.83 177.62 2qjp h HIS 23 N 0.03 0.74 0.30 3.99 3.86 -1.92 -2.21 115.15 119.94 2qjp h HIS 23 Ca 0.61 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 2qjp h HIS 23 Cb 1.29 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2qjp h HIS 23 CO -0.43 1.00 -0.17 0.37 0.86 0.00 0.00 177.93 179.56 2qjp h GLN 24 N 0.45 -0.43 -0.76 2.45 4.15 -1.24 0.16 115.11 119.90 2qjp h GLN 24 Ca 0.01 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.59 2qjp h GLN 24 Cb 1.09 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.83 2qjp h GLN 24 CO 0.10 -0.29 0.50 -0.07 -1.93 0.00 0.00 178.83 177.15 2qjp h LEU 25 N -0.45 0.47 -0.18 -2.39 3.38 -1.27 0.74 115.31 115.61 2qjp h LEU 25 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qjp h LEU 25 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qjp h LEU 25 CO 0.04 0.25 0.05 1.56 0.09 0.00 0.00 178.44 180.44 2qjp h GLN 26 N 0.51 0.29 -0.24 1.13 4.20 -0.61 0.19 115.11 120.57 2qjp h GLN 26 Ca 0.37 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2qjp h GLN 26 Cb 0.72 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2qjp h GLN 26 CO -0.13 0.41 0.13 0.00 -0.67 0.00 0.00 178.83 178.57 2qjp h ARG 27 N 0.11 0.33 -0.61 1.46 3.08 0.19 -2.52 114.38 116.42 2qjp h ARG 27 Ca 0.06 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.15 2qjp h ARG 27 Cb 0.24 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 2qjp h ARG 27 CO -0.00 0.29 0.26 0.78 -1.07 0.00 0.00 179.97 180.23 2qjp h GLY 28 N 0.28 0.86 1.36 0.04 0.00 0.64 0.52 103.07 106.77 2qjp h GLY 28 Ca 0.08 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.31 2qjp h GLY 28 CO -0.01 0.02 0.31 -2.00 0.00 0.00 0.00 176.54 174.86 2qjp h LEU 29 N 0.46 0.37 -0.20 3.11 5.85 -0.36 0.43 115.31 124.98 2qjp h LEU 29 Ca 0.30 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 2qjp h LEU 29 Cb 0.33 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2qjp h LEU 29 CO -0.27 0.25 -0.59 -0.61 -0.34 0.00 0.00 178.44 176.88 2qjp h GLN 30 N 0.43 0.75 0.06 1.25 4.15 -0.53 -0.91 115.11 120.31 2qjp h GLN 30 Ca 0.20 -0.54 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 2qjp h GLN 30 Cb 0.25 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2qjp h GLN 30 CO -0.05 1.16 -0.03 0.28 -1.93 0.00 0.00 178.83 178.26 2qjp h VAL 31 N 0.48 0.99 -0.47 2.39 2.07 -0.24 -0.63 116.25 120.84 2qjp h VAL 31 Ca -0.02 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.41 2qjp h VAL 31 Cb 1.21 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2qjp h VAL 31 CO 0.13 0.04 0.17 0.22 0.02 0.00 0.00 177.57 178.14 2qjp h TYR 32 N -0.15 0.29 -0.27 1.57 3.20 -0.94 0.86 116.97 121.53 2qjp h TYR 32 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2qjp h TYR 32 Cb 0.13 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2qjp h TYR 32 CO -0.05 0.10 0.08 1.15 -1.64 0.00 0.00 178.16 177.80 2qjp h THR 33 N 0.34 1.20 0.00 1.81 2.02 -0.91 0.16 112.91 117.53 2qjp h THR 33 Ca 0.22 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2qjp h THR 33 Cb 0.22 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2qjp h THR 33 CO -0.22 0.21 -0.48 -0.33 0.37 0.00 0.00 175.52 175.06 2qjp h GLU 34 N 0.27 0.00 0.00 6.66 5.08 -1.02 -3.41 114.58 122.16 2qjp h GLU 34 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2qjp h GLU 34 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2qjp h GLU 34 CO -0.00 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.29 2qjp n VAL 35 N -2.28 0.00 0.14 3.13 0.31 0.29 -4.90 118.33 115.01 2qjp n VAL 35 Ca 0.03 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 2qjp n VAL 35 Cb 0.46 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 2qjp n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qjp h ALA 37 N 0.27 2.28 -0.08 0.00 0.00 -0.83 0.38 119.26 121.28 2qjp h ALA 37 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qjp h ALA 37 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2qjp h ALA 37 CO -0.09 -1.20 -0.03 0.00 0.00 0.00 0.00 179.25 177.94 2qjp h ALA 38 N 0.28 1.80 0.00 0.00 0.00 -1.80 -3.35 119.26 116.19 2qjp h ALA 38 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qjp h ALA 38 Cb 2.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2qjp h ALA 38 CO -0.00 0.16 -0.91 0.00 0.00 0.00 0.00 179.25 178.49 2qjp s HIS 40 N -1.91 3.45 0.47 0.00 3.76 -0.33 -1.38 115.29 119.35 2qjp s HIS 40 Ca 0.00 0.77 0.02 0.00 -0.15 0.00 0.00 55.06 55.70 2qjp s HIS 40 Cb 0.00 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2qjp s HIS 40 CO 0.00 0.24 0.07 0.20 -0.85 0.00 0.00 174.74 174.41 2qjp s GLY 41 N -2.64 2.90 -0.39 -2.22 0.00 -1.26 -4.04 107.32 99.67 2qjp s GLY 41 Ca 0.46 -0.64 0.11 0.00 0.00 0.00 0.00 44.72 44.65 2qjp s GLY 41 CO 0.25 -2.02 0.86 1.03 0.00 0.00 0.00 173.10 173.21 2qjp n MET 42 N -1.13 1.00 0.05 2.90 2.00 -0.60 -1.52 117.12 119.82 2qjp n MET 42 Ca -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 57.70 54.63 2qjp n MET 42 Cb 0.66 -1.46 0.09 0.00 0.00 0.00 0.00 33.22 32.51 2qjp n MET 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2qjp n LYS 43 N 0.26 0.02 -0.09 0.03 2.85 -1.25 -0.51 118.16 119.48 2qjp n LYS 43 Ca 0.18 0.36 0.07 0.00 -1.05 0.00 0.00 58.31 57.87 2qjp n LYS 43 Cb 0.68 -1.83 0.12 0.00 -0.65 0.00 0.00 35.03 33.35 2qjp n LYS 43 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2qjp n PHE 44 N -1.49 0.24 -3.59 5.58 3.72 -1.26 -4.81 117.46 115.84 2qjp n PHE 44 Ca -0.00 -0.19 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 2qjp n PHE 44 Cb 0.26 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.68 2qjp n PHE 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qjp s VAL 45 N -1.15 4.73 -0.06 -4.37 1.01 0.33 -5.03 120.40 115.87 2qjp s VAL 45 Ca 0.23 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2qjp s VAL 45 Cb 0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2qjp s VAL 45 CO 0.19 -0.13 1.16 -2.16 0.00 0.00 0.00 175.10 174.17 2qjp s PRO 46 N 1.60 4.37 0.31 2.72 0.04 -1.26 -1.00 135.00 141.78 2qjp s PRO 46 Ca 0.04 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.76 2qjp s PRO 46 Cb -0.18 -3.55 0.78 0.00 0.04 0.00 0.00 34.50 31.59 2qjp s PRO 46 CO 0.07 -0.41 1.77 0.82 0.04 0.00 0.00 177.00 179.29 2qjp h ILE 47 N 5.02 0.67 0.00 0.56 2.04 -0.85 -0.30 117.51 124.65 2qjp h ILE 47 Ca -0.34 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2qjp h ILE 47 Cb 1.16 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2qjp h ILE 47 CO 0.87 0.13 0.05 -2.11 0.00 0.00 0.00 178.15 177.09 2qjp n ARG 48 N -4.78 0.03 0.00 2.37 1.85 0.12 -0.70 116.66 115.55 2qjp n ARG 48 Ca 0.24 0.49 0.14 0.00 -1.00 0.00 0.00 57.85 57.72 2qjp n ARG 48 Cb 0.62 -1.63 0.63 0.00 -1.05 0.00 0.00 32.46 31.02 2qjp n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2qjp n SER 49 N -1.61 0.10 0.14 2.89 3.41 -0.12 -2.67 113.62 115.75 2qjp n SER 49 Ca -0.00 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 2qjp n SER 49 Cb 0.05 -0.32 0.51 0.00 -0.26 0.00 0.00 64.21 64.20 2qjp n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qjp n LEU 50 N -1.37 0.65 -0.09 1.04 4.77 0.12 -2.53 117.00 119.59 2qjp n LEU 50 Ca 0.10 0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 2qjp n LEU 50 Cb 0.30 -0.64 -0.16 0.00 -2.33 0.00 0.00 43.42 40.60 2qjp n LEU 50 CO 0.26 -0.66 -1.04 -1.20 -1.33 0.00 0.00 177.39 173.42 2qjp n SER 51 N -2.25 0.23 -4.72 -1.43 7.64 -1.09 -0.74 113.62 111.26 2qjp n SER 51 Ca 0.01 0.08 -0.39 0.00 1.01 0.00 0.00 58.87 59.58 2qjp n SER 51 Cb 0.18 0.75 0.04 0.00 -1.01 0.00 0.00 64.21 64.18 2qjp n SER 51 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qjp n GLU 52 N -2.82 1.54 -0.82 1.43 1.02 -1.05 -4.50 120.64 115.44 2qjp n GLU 52 Ca -0.30 0.57 -0.32 0.00 -0.02 0.00 0.00 57.16 57.09 2qjp n GLU 52 Cb 1.13 -2.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.20 2qjp n GLU 52 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2qjp n PRO 53 N -1.00 -0.26 -1.00 3.49 -0.04 -1.26 -3.29 135.00 131.65 2qjp n PRO 53 Ca 0.11 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2qjp n PRO 53 Cb 0.45 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2qjp n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qjp n GLY 54 N 0.84 0.54 0.00 0.55 0.00 -1.26 -4.98 105.19 100.89 2qjp n GLY 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2qjp n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjp n GLY 55 N -2.76 5.49 0.31 -0.02 0.00 -1.21 -4.86 105.19 102.14 2qjp n GLY 55 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.92 2qjp n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qjp h PRO 56 N 0.00 0.57 -6.01 1.61 0.11 -1.82 -3.42 132.00 123.04 2qjp h PRO 56 Ca 0.00 -0.05 -0.42 0.00 0.11 0.00 0.00 66.00 65.65 2qjp h PRO 56 Cb 0.00 -0.12 0.07 0.00 0.11 0.00 0.00 31.00 31.06 2qjp h PRO 56 CO 0.00 0.41 -0.75 0.39 -0.21 0.00 0.00 178.00 177.84 2qjp n GLU 57 N -4.44 -6.42 -1.08 1.05 1.02 -0.76 -4.82 120.64 105.19 2qjp n GLU 57 Ca 0.03 0.72 -0.31 0.00 -0.02 0.00 0.00 57.16 57.58 2qjp n GLU 57 Cb 0.08 -5.63 0.12 0.00 -0.02 0.00 0.00 31.44 25.99 2qjp n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qjp s LEU 58 N -7.04 2.98 0.15 -4.62 1.43 0.08 -4.89 118.68 106.77 2qjp s LEU 58 Ca 0.42 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 2qjp s LEU 58 Cb -0.20 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.41 2qjp s LEU 58 CO 0.78 -2.40 1.16 -2.84 0.23 0.00 0.00 176.35 173.28 2qjp s PRO 59 N -4.79 4.52 0.32 1.29 0.02 -1.26 -4.33 135.00 130.77 2qjp s PRO 59 Ca 0.63 1.78 0.12 0.00 0.02 0.00 0.00 61.00 63.56 2qjp s PRO 59 Cb -0.19 -3.28 1.04 0.00 0.02 0.00 0.00 34.50 32.09 2qjp s PRO 59 CO 0.56 -0.07 1.47 0.39 -0.33 0.00 0.00 177.00 179.03 2qjp n GLU 60 N 2.82 -0.06 0.19 5.54 1.02 -1.26 0.33 120.64 129.21 2qjp n GLU 60 Ca 0.05 1.34 0.04 0.00 -0.02 0.00 0.00 57.16 58.56 2qjp n GLU 60 Cb 0.46 -2.28 0.36 0.00 -0.02 0.00 0.00 31.44 29.95 2qjp n GLU 60 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2qjp h ASP 61 N 0.00 0.00 0.27 1.62 2.03 -1.98 0.05 116.42 118.40 2qjp h ASP 61 Ca 0.70 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.99 2qjp h ASP 61 Cb 1.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.23 2qjp h ASP 61 CO -0.78 0.39 -0.13 1.56 -1.03 0.00 0.00 179.24 179.25 2qjp h GLN 62 N 0.00 -0.34 -0.92 4.15 4.20 -0.49 -1.27 115.11 120.43 2qjp h GLN 62 Ca -0.00 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.91 2qjp h GLN 62 Cb 0.79 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.54 2qjp h GLN 62 CO 0.05 0.00 0.50 0.28 -0.67 0.00 0.00 178.83 178.99 2qjp h VAL 63 N -0.78 0.68 -0.63 -0.54 2.07 -1.25 0.42 116.25 116.21 2qjp h VAL 63 Ca -0.04 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2qjp h VAL 63 Cb 0.51 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2qjp h VAL 63 CO 0.06 0.12 0.17 -0.09 0.02 0.00 0.00 177.57 177.85 2qjp h ARG 64 N 0.65 1.00 -0.62 1.57 2.43 -0.90 -1.56 114.38 116.95 2qjp h ARG 64 Ca 0.53 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2qjp h ARG 64 Cb 0.82 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2qjp h ARG 64 CO -0.40 0.90 0.05 0.00 -1.51 0.00 0.00 179.97 179.01 2qjp h ALA 65 N 1.06 0.83 0.40 2.80 0.00 0.52 -3.21 119.26 121.65 2qjp h ALA 65 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qjp h ALA 65 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qjp h ALA 65 CO -0.00 0.63 -0.23 -0.92 0.00 0.00 0.00 179.25 178.72 2qjp h TYR 66 N 0.96 -0.61 0.00 0.00 3.20 0.05 -2.27 116.97 118.30 2qjp h TYR 66 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2qjp h TYR 66 Cb 0.50 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2qjp h TYR 66 CO 0.04 -0.37 0.35 0.00 -1.64 0.00 0.00 178.16 176.55 2qjp h ALA 67 N -0.02 1.34 -0.65 1.82 0.00 -1.30 -2.16 119.26 118.29 2qjp h ALA 67 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2qjp h ALA 67 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2qjp h ALA 67 CO 0.05 -0.34 0.30 1.15 0.00 0.00 0.00 179.25 180.41 2qjp h THR 68 N 0.00 0.85 -0.24 0.00 2.02 -1.39 -0.65 112.91 113.49 2qjp h THR 68 Ca 0.00 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.03 2qjp h THR 68 Cb 0.71 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2qjp h THR 68 CO 0.00 0.10 0.04 0.06 0.37 0.00 0.00 175.52 176.09 2qjp h GLN 69 N 0.54 0.13 -6.37 6.66 3.07 -1.56 -3.32 115.11 114.27 2qjp h GLN 69 Ca 0.32 -0.01 -0.54 0.00 0.09 0.00 0.00 58.65 58.51 2qjp h GLN 69 Cb 0.32 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 27.86 2qjp h GLN 69 CO -0.26 0.08 1.01 -0.06 0.09 0.00 0.00 178.83 179.69 2qjp s PHE 70 N -6.18 2.31 -1.24 0.06 0.08 -1.18 -4.90 117.98 106.93 2qjp s PHE 70 Ca -0.13 0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.19 2qjp s PHE 70 Cb 0.10 -3.90 0.19 0.00 -0.57 0.00 0.00 43.02 38.84 2qjp s PHE 70 CO 0.69 -3.65 1.95 2.41 -0.10 0.00 0.00 175.22 176.52 2qjp n THR 71 N 5.00 4.92 -0.68 0.64 -1.04 -1.26 -1.59 114.28 120.27 2qjp n THR 71 Ca 0.16 -4.78 -0.24 0.00 -2.04 0.00 0.00 64.05 57.15 2qjp n THR 71 Cb 0.42 -2.16 0.12 0.00 -1.82 0.00 0.00 70.33 66.88 2qjp n THR 71 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qjp n VAL 72 N 2.25 0.00 -3.89 12.58 0.31 -1.15 -4.59 118.33 123.84 2qjp n VAL 72 Ca 0.44 -0.10 -0.30 0.00 -0.01 0.00 0.00 64.34 64.37 2qjp n VAL 72 Cb 0.32 -0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 32.71 2qjp n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qjp s THR 73 N -2.10 1.43 0.06 2.52 2.01 -1.26 -2.17 115.64 116.13 2qjp s THR 73 Ca 0.38 -1.40 -0.34 0.00 0.31 0.00 0.00 61.69 60.65 2qjp s THR 73 Cb -0.04 -1.86 -0.13 0.00 0.01 0.00 0.00 72.50 70.48 2qjp s THR 73 CO 0.46 -0.32 1.72 -0.67 -0.69 0.00 0.00 174.62 175.11 2qjp n ASP 74 N 4.67 3.28 0.32 3.53 2.03 -1.16 -4.88 116.55 124.34 2qjp n ASP 74 Ca -0.07 1.03 0.19 0.00 0.52 0.00 0.00 54.79 56.46 2qjp n ASP 74 Cb 0.43 -1.41 1.00 0.00 -0.72 0.00 0.00 41.12 40.42 2qjp n ASP 74 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2qjp h GLU 75 N 7.41 0.00 0.00 -0.67 5.08 -1.94 -1.60 114.58 122.86 2qjp h GLU 75 Ca -0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 2qjp h GLU 75 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2qjp h GLU 75 CO 0.92 0.00 -1.29 0.39 -1.00 0.00 0.00 179.01 178.02 2qjp n GLU 76 N -3.09 0.34 -0.14 2.33 4.71 -1.26 -4.54 120.64 118.99 2qjp n GLU 76 Ca -0.02 0.03 0.12 0.00 -0.01 0.00 0.00 57.16 57.28 2qjp n GLU 76 Cb 0.24 -1.10 0.47 0.00 -1.01 0.00 0.00 31.44 30.04 2qjp n GLU 76 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 2qjp h THR 77 N 0.00 0.88 0.00 2.62 2.02 -1.95 -3.43 112.91 113.05 2qjp h THR 77 Ca -0.11 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2qjp h THR 77 Cb 1.18 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2qjp h THR 77 CO -0.02 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.57 2qjp n GLY 78 N -1.50 2.27 3.93 2.16 0.00 -0.61 -4.92 105.19 106.53 2qjp n GLY 78 Ca 0.12 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2qjp n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qjp s GLU 79 N 0.00 3.51 1.30 1.61 2.02 -1.26 -4.80 118.70 121.09 2qjp s GLU 79 Ca 0.00 -0.32 -0.21 0.00 0.02 0.00 0.00 54.97 54.46 2qjp s GLU 79 Cb 0.00 -2.72 0.32 0.00 0.10 0.00 0.00 34.13 31.83 2qjp s GLU 79 CO 0.00 0.24 1.04 -0.51 0.02 0.00 0.00 175.26 176.05 2qjp s ASP 80 N -3.68 0.02 0.00 -0.19 1.11 -1.26 -2.97 116.67 109.70 2qjp s ASP 80 Ca 0.40 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.84 2qjp s ASP 80 Cb -0.10 -0.98 0.00 0.00 1.07 0.00 0.00 42.92 42.91 2qjp s ASP 80 CO 0.33 -4.68 0.00 -2.11 1.18 0.00 0.00 175.17 169.88 2qjp n ARG 81 N -5.15 0.00 -2.65 8.23 1.85 -0.92 -4.69 116.66 113.32 2qjp n ARG 81 Ca 0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.76 2qjp n ARG 81 Cb 0.60 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 32.08 2qjp n ARG 81 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2qjp s GLU 82 N -1.62 2.06 -0.07 2.89 2.02 -1.26 -2.95 118.70 119.76 2qjp s GLU 82 Ca 0.00 -1.05 -0.19 0.00 0.02 0.00 0.00 54.97 53.75 2qjp s GLU 82 Cb 0.00 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 2qjp s GLU 82 CO 0.00 -1.12 0.52 0.20 0.02 0.00 0.00 175.26 174.88 2qjp s GLY 83 N -4.62 2.47 0.17 -1.39 0.00 -0.26 -4.36 107.32 99.33 2qjp s GLY 83 Ca 0.63 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 45.27 2qjp s GLY 83 CO 0.42 0.74 0.23 0.54 0.00 0.00 0.00 173.10 175.02 2qjp s LYS 84 N 0.27 3.20 0.33 2.90 1.02 -1.26 -3.30 119.74 122.91 2qjp s LYS 84 Ca 0.28 -0.75 0.23 0.00 0.02 0.00 0.00 55.97 55.76 2qjp s LYS 84 Cb -0.16 -2.81 1.22 0.00 -0.52 0.00 0.00 37.83 35.56 2qjp s LYS 84 CO 0.13 0.49 1.71 -1.35 -0.92 0.00 0.00 175.35 175.41 2qjp h PRO 85 N 2.12 0.00 0.00 -1.68 0.11 -1.88 -0.15 132.00 130.52 2qjp h PRO 85 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qjp h PRO 85 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qjp h PRO 85 CO 0.65 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2qjp n THR 86 N -2.31 0.08 -2.67 -1.15 -2.24 -1.26 0.15 114.28 104.88 2qjp n THR 86 Ca -0.01 0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 2qjp n THR 86 Cb 0.07 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 2qjp n THR 86 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qjp s ASP 87 N -2.87 6.41 0.38 3.42 1.01 -0.07 -4.84 116.67 120.11 2qjp s ASP 87 Ca 0.18 1.11 -0.02 0.00 0.71 0.00 0.00 52.55 54.53 2qjp s ASP 87 Cb 0.19 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 2qjp s ASP 87 CO 0.49 -0.51 0.63 -1.00 0.21 0.00 0.00 175.17 174.98 2qjp s HIS 88 N -2.58 3.52 0.76 4.23 3.76 -1.26 -0.48 115.29 123.24 2qjp s HIS 88 Ca 0.51 0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 55.83 2qjp s HIS 88 Cb -0.10 -2.07 0.06 0.00 1.11 0.00 0.00 32.58 31.58 2qjp s HIS 88 CO 0.38 0.00 1.19 -0.06 -0.85 0.00 0.00 174.74 175.40 2qjp s PHE 89 N -2.41 2.00 1.01 1.40 0.40 -0.17 -4.78 117.98 115.43 2qjp s PHE 89 Ca 0.43 1.63 -0.14 0.00 -0.60 0.00 0.00 56.93 58.26 2qjp s PHE 89 Cb -0.10 -3.43 0.19 0.00 0.51 0.00 0.00 43.02 40.19 2qjp s PHE 89 CO 0.38 -2.61 1.12 -1.25 0.70 0.00 0.00 175.22 173.55 2qjp s PRO 90 N -4.09 0.34 0.66 0.24 0.04 -1.26 -3.85 135.00 127.09 2qjp s PRO 90 Ca 0.72 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 2qjp s PRO 90 Cb -0.28 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2qjp s PRO 90 CO 0.48 -2.74 1.08 -1.01 0.04 0.00 0.00 177.00 174.84 2qjp s HIS 91 N -3.11 2.87 0.17 0.56 3.76 -1.26 -1.56 115.29 116.71 2qjp s HIS 91 Ca 0.66 1.51 -0.34 0.00 -0.15 0.00 0.00 55.06 56.74 2qjp s HIS 91 Cb -0.15 -3.02 -0.14 0.00 1.11 0.00 0.00 32.58 30.38 2qjp s HIS 91 CO 0.56 -1.39 1.53 0.43 -0.85 0.00 0.00 174.74 175.01 2qjp n SER 92 N -2.64 2.91 0.03 1.40 7.64 -1.26 -4.43 113.62 117.26 2qjp n SER 92 Ca 0.09 1.10 -0.07 0.00 1.01 0.00 0.00 58.87 60.99 2qjp n SER 92 Cb 0.53 -1.41 0.10 0.00 -1.01 0.00 0.00 64.21 62.42 2qjp n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjp h ALA 93 N 5.50 0.80 -2.10 -0.43 0.00 -1.47 -3.40 119.26 118.15 2qjp h ALA 93 Ca -0.45 -0.50 -0.65 0.00 0.00 0.00 0.00 54.91 53.31 2qjp h ALA 93 Cb 1.26 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2qjp h ALA 93 CO 0.85 0.68 0.21 -1.17 0.00 0.00 0.00 179.25 179.83 2qjp s LEU 94 N -8.26 4.46 0.21 0.00 2.96 -0.70 -4.96 118.68 112.39 2qjp s LEU 94 Ca -0.06 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 2qjp s LEU 94 Cb 0.12 -2.76 0.47 0.00 0.50 0.00 0.00 46.19 44.52 2qjp s LEU 94 CO 0.82 -0.87 1.07 -0.62 -1.32 0.00 0.00 176.35 175.43 2qjp n GLU 95 N 6.47 -0.06 -0.34 1.98 -0.58 -1.26 0.20 120.64 127.06 2qjp n GLU 95 Ca -0.01 1.03 0.09 0.00 -0.42 0.00 0.00 57.16 57.85 2qjp n GLU 95 Cb 0.48 -1.61 0.26 0.00 -0.57 0.00 0.00 31.44 29.99 2qjp n GLU 95 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2qjp n ASN 96 N -4.96 3.26 -4.58 1.62 6.94 -1.26 -4.82 115.26 111.46 2qjp n ASN 96 Ca 0.15 -2.08 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 2qjp n ASN 96 Cb 0.48 -0.41 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 2qjp n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qjp s ALA 97 N -1.36 3.43 0.86 -2.53 0.00 0.13 -5.02 121.76 117.26 2qjp s ALA 97 Ca 0.39 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 2qjp s ALA 97 Cb 0.21 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 20.11 2qjp s ALA 97 CO 0.25 -1.49 1.16 -1.25 0.00 0.00 0.00 175.76 174.43 2qjp s PRO 98 N 3.05 1.37 0.17 0.00 0.04 -1.26 -4.76 135.00 133.61 2qjp s PRO 98 Ca 0.30 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 2qjp s PRO 98 Cb -0.13 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2qjp s PRO 98 CO 0.17 -2.38 1.19 0.34 0.04 0.00 0.00 177.00 176.36 2qjp s ASP 99 N -2.56 7.10 0.00 6.66 2.15 -1.26 -4.45 116.67 124.31 2qjp s ASP 99 Ca 0.68 2.19 0.26 0.00 0.43 0.00 0.00 52.55 56.12 2qjp s ASP 99 Cb -0.24 -2.60 0.67 0.00 -0.30 0.00 0.00 42.92 40.45 2qjp s ASP 99 CO 0.55 -0.37 1.53 0.18 -0.17 0.00 0.00 175.17 176.88 2qjp n LEU 100 N 2.67 1.96 -0.18 -1.34 4.77 -0.57 -4.38 117.00 119.92 2qjp n LEU 100 Ca 0.05 -0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 55.37 2qjp n LEU 100 Cb 0.45 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 2qjp n LEU 100 CO 0.56 0.33 0.82 0.28 -1.33 0.00 0.00 177.39 178.05 2qjp h SER 101 N 2.97 -0.29 -0.22 -1.43 0.02 -1.88 -3.02 113.55 109.71 2qjp h SER 101 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2qjp h SER 101 Cb 0.68 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2qjp h SER 101 CO 0.00 -0.11 0.00 0.18 -1.14 0.00 0.00 176.83 175.76 2qjp n LEU 102 N -5.28 2.53 -0.27 5.07 4.77 -1.26 -3.09 117.00 119.46 2qjp n LEU 102 Ca 0.07 -1.65 0.07 0.00 -0.03 0.00 0.00 56.01 54.47 2qjp n LEU 102 Cb 0.31 -0.14 0.19 0.00 -2.33 0.00 0.00 43.42 41.45 2qjp n LEU 102 CO 0.12 0.59 0.86 -0.03 -1.33 0.00 0.00 177.39 177.60 2qjp h MET 103 N 1.97 0.13 0.00 3.23 4.05 -1.73 0.12 114.93 122.70 2qjp h MET 103 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2qjp h MET 103 Cb 0.62 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2qjp h MET 103 CO 0.00 0.09 0.00 0.00 0.23 0.00 0.00 176.91 177.23 2qjp n ALA 104 N -2.88 1.38 0.21 0.39 0.00 -1.26 -1.52 120.51 116.82 2qjp n ALA 104 Ca 0.16 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.71 2qjp n ALA 104 Cb 0.53 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 2qjp n ALA 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qjp n LYS 105 N -1.77 0.93 -0.14 0.00 5.02 0.32 -4.03 118.16 118.48 2qjp n LYS 105 Ca 0.01 -0.10 0.07 0.00 -2.02 0.00 0.00 58.31 56.27 2qjp n LYS 105 Cb 0.11 -1.32 0.21 0.00 -0.02 0.00 0.00 35.03 34.01 2qjp n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qjp n ALA 106 N -1.84 2.47 -2.59 7.82 0.00 -0.57 -4.88 120.51 120.93 2qjp n ALA 106 Ca -0.01 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 2qjp n ALA 106 Cb 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 2qjp n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qjp s ARG 107 N -1.63 0.66 0.04 0.00 1.81 -1.16 -5.04 118.95 113.64 2qjp s ARG 107 Ca 0.24 -0.99 0.06 0.00 -1.72 0.00 0.00 55.73 53.32 2qjp s ARG 107 Cb 0.13 -0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.32 2qjp s ARG 107 CO 0.18 0.03 -0.17 0.00 -0.68 0.00 0.00 175.30 174.66 2qjp s ALA 108 N -2.23 1.41 0.00 2.13 0.00 -1.26 -3.24 121.76 118.57 2qjp s ALA 108 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2qjp s ALA 108 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2qjp s ALA 108 CO -0.01 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2qjp n GLY 109 N 1.96 0.05 3.17 0.00 0.00 0.62 -4.80 105.19 106.19 2qjp n GLY 109 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2qjp n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 110 N -1.84 3.75 -0.01 1.61 0.08 -1.02 -4.15 117.98 116.40 2qjp s PHE 110 Ca 0.00 -2.71 -0.16 0.00 0.12 0.00 0.00 56.93 54.18 2qjp s PHE 110 Cb 0.00 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 39.00 2qjp s PHE 110 CO 0.00 -0.84 0.43 -1.01 -0.10 0.00 0.00 175.22 173.71 2qjp s HIS 111 N -0.66 3.70 0.00 0.36 3.76 -1.26 -4.34 115.29 116.85 2qjp s HIS 111 Ca 0.23 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 2qjp s HIS 111 Cb -0.12 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.21 2qjp s HIS 111 CO -0.08 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 2qjp n GLY 112 N 2.07 -1.85 3.78 -2.22 0.00 -1.26 -4.89 105.19 100.82 2qjp n GLY 112 Ca -0.12 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2qjp n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qjp s PRO 113 N 0.00 4.13 -0.88 1.61 0.04 -1.26 -1.67 135.00 136.98 2qjp s PRO 113 Ca 0.00 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 2qjp s PRO 113 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2qjp s PRO 113 CO 0.00 0.42 0.43 -1.33 0.04 0.00 0.00 177.00 176.56 2qjp n MET 114 N 2.77 -3.25 -0.52 4.56 2.81 -1.26 -2.64 117.12 119.59 2qjp n MET 114 Ca -0.11 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 2qjp n MET 114 Cb 0.52 -4.56 0.00 0.00 -0.71 0.00 0.00 33.22 28.46 2qjp n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qjp n GLY 115 N -1.24 0.42 0.04 3.03 0.00 -1.26 -4.78 105.19 101.40 2qjp n GLY 115 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2qjp n GLY 115 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qjp n THR 116 N -2.00 0.53 -0.87 2.61 -1.04 -1.08 -4.89 114.28 107.53 2qjp n THR 116 Ca 0.00 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2qjp n THR 116 Cb 0.00 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2qjp n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qjp n GLY 117 N 0.81 0.00 0.32 3.41 0.00 -1.11 -4.76 105.19 103.86 2qjp n GLY 117 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.28 2qjp n GLY 117 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qjp h ILE 118 N 0.00 0.09 -0.05 -0.61 2.04 -1.81 -1.37 117.51 115.80 2qjp h ILE 118 Ca 0.00 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2qjp h ILE 118 Cb 0.86 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2qjp h ILE 118 CO 0.00 0.01 -0.44 -1.28 0.00 0.00 0.00 178.15 176.44 2qjp h SER 119 N 0.00 0.11 0.63 1.72 0.87 -1.62 -3.11 113.55 112.16 2qjp h SER 119 Ca -0.00 -0.05 -0.27 0.00 -1.23 0.00 0.00 61.79 60.24 2qjp h SER 119 Cb 0.08 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2qjp h SER 119 CO 0.00 0.54 -1.46 1.56 -0.53 0.00 0.00 176.83 176.93 2qjp h GLN 120 N 0.09 0.06 0.00 2.24 4.20 -1.41 0.50 115.11 120.78 2qjp h GLN 120 Ca 0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2qjp h GLN 120 Cb 0.81 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2qjp h GLN 120 CO 0.06 0.80 0.12 -0.11 -0.67 0.00 0.00 178.83 179.03 2qjp n LEU 121 N -3.24 0.11 0.00 1.46 7.94 -1.08 -0.56 117.00 121.63 2qjp n LEU 121 Ca -0.12 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2qjp n LEU 121 Cb 1.02 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2qjp n LEU 121 CO 0.47 -0.49 -0.33 0.49 -1.11 0.00 0.00 177.39 176.42 2qjp n PHE 122 N -1.58 0.00 0.82 1.96 3.01 -1.23 -4.85 117.46 115.59 2qjp n PHE 122 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2qjp n PHE 122 Cb 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.72 2qjp n PHE 122 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2qjp n ASN 123 N -1.68 3.09 -0.11 4.37 3.02 0.16 -5.09 115.26 119.02 2qjp n ASN 123 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2qjp n ASN 123 Cb 0.33 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2qjp n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 124 N 1.37 -1.16 0.11 7.41 0.00 0.27 -4.31 105.19 108.88 2qjp n GLY 124 Ca 0.15 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2qjp n GLY 124 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qjp h ILE 125 N 0.00 0.96 0.00 -0.61 1.08 -1.91 -3.39 117.51 113.64 2qjp h ILE 125 Ca 0.00 -2.66 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 2qjp h ILE 125 Cb 0.00 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 2qjp h ILE 125 CO 0.00 0.78 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 2qjp n GLY 126 N 1.73 0.78 0.15 5.37 0.00 -1.26 0.23 105.19 112.19 2qjp n GLY 126 Ca -0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2qjp n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qjp h GLY 127 N 0.00 0.10 0.94 -0.02 0.00 -1.69 0.47 103.07 102.88 2qjp h GLY 127 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2qjp h GLY 127 CO 0.00 -0.12 0.12 -0.56 0.00 0.00 0.00 176.54 175.98 2qjp h PRO 128 N -0.06 0.66 -0.98 4.80 0.13 -1.90 -0.98 132.00 133.66 2qjp h PRO 128 Ca 0.12 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2qjp h PRO 128 Cb 0.24 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.23 2qjp h PRO 128 CO -0.26 0.65 0.64 0.93 -0.23 0.00 0.00 178.00 179.73 2qjp h GLU 129 N 0.53 1.29 0.46 0.86 3.07 -1.79 0.13 114.58 119.13 2qjp h GLU 129 Ca 0.13 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2qjp h GLU 129 Cb 0.28 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qjp h GLU 129 CO -0.00 0.86 -0.29 -0.92 -1.40 0.00 0.00 179.01 177.26 2qjp h TYR 130 N 1.33 -0.75 -0.70 4.33 3.20 0.34 0.72 116.97 125.43 2qjp h TYR 130 Ca 0.36 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.31 2qjp h TYR 130 Cb -0.15 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 2qjp h TYR 130 CO 0.00 -0.44 0.35 0.82 -1.64 0.00 0.00 178.16 177.26 2qjp h ILE 131 N -0.71 0.86 0.22 1.81 2.04 -0.72 -1.76 117.51 119.25 2qjp h ILE 131 Ca -0.05 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2qjp h ILE 131 Cb 0.58 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2qjp h ILE 131 CO 0.05 0.11 -0.39 0.22 0.00 0.00 0.00 178.15 178.15 2qjp h TYR 132 N 0.61 -1.10 -1.15 1.37 3.20 -0.33 -2.24 116.97 117.34 2qjp h TYR 132 Ca 0.34 0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.56 2qjp h TYR 132 Cb 0.34 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 2qjp h TYR 132 CO -0.10 -0.47 0.82 0.77 -1.64 0.00 0.00 178.16 177.54 2qjp h SER 133 N -0.65 0.02 0.27 -2.11 0.02 -0.27 0.13 113.55 110.95 2qjp h SER 133 Ca -0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 2qjp h SER 133 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2qjp h SER 133 CO -0.14 0.00 -0.90 0.58 -1.14 0.00 0.00 176.83 175.24 2qjp h VAL 134 N 0.02 1.38 -0.02 2.27 2.07 -0.75 0.34 116.25 121.55 2qjp h VAL 134 Ca 0.55 -2.34 -0.17 0.00 0.82 0.00 0.00 66.70 65.56 2qjp h VAL 134 Cb 2.18 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 34.26 2qjp h VAL 134 CO -0.02 0.70 -0.74 -0.07 0.02 0.00 0.00 177.57 177.47 2qjp h LEU 135 N 0.27 0.19 0.00 2.57 3.38 -0.46 -3.32 115.31 117.93 2qjp h LEU 135 Ca -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2qjp h LEU 135 Cb 1.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2qjp h LEU 135 CO 0.16 0.86 0.00 0.41 0.09 0.00 0.00 178.44 179.96 2qjp n THR 136 N -3.74 0.00 0.00 0.22 -1.04 -0.09 -4.39 114.28 105.24 2qjp n THR 136 Ca -0.02 0.87 0.00 0.00 -2.04 0.00 0.00 64.05 62.86 2qjp n THR 136 Cb 0.71 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2qjp n THR 136 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qjp n GLY 137 N 0.65 0.00 3.20 3.41 0.00 0.12 -4.65 105.19 107.92 2qjp n GLY 137 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qjp n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 138 N 0.00 3.57 0.48 1.61 0.40 -1.26 -1.33 117.98 121.44 2qjp s PHE 138 Ca 0.00 -2.37 -0.22 0.00 -0.60 0.00 0.00 56.93 53.74 2qjp s PHE 138 Cb 0.00 -3.49 -0.07 0.00 0.51 0.00 0.00 43.02 39.97 2qjp s PHE 138 CO 0.00 -0.91 1.15 -1.25 0.70 0.00 0.00 175.22 174.91 2qjp s PRO 139 N 0.05 3.68 0.31 0.24 0.04 -1.26 -4.94 135.00 133.11 2qjp s PRO 139 Ca 0.17 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2qjp s PRO 139 Cb -0.16 -2.30 0.50 0.00 0.04 0.00 0.00 34.50 32.58 2qjp s PRO 139 CO -0.06 -0.60 1.80 0.93 0.04 0.00 0.00 177.00 179.11 2qjp h GLU 140 N 1.84 0.53 -5.20 4.56 4.39 -1.97 -3.42 114.58 115.30 2qjp h GLU 140 Ca -0.49 -0.15 -0.65 0.00 0.34 0.00 0.00 59.36 58.41 2qjp h GLU 140 Cb 1.25 -0.06 -0.25 0.00 -0.10 0.00 0.00 28.75 29.59 2qjp h GLU 140 CO 0.59 0.63 -0.71 -1.21 -1.16 0.00 0.00 179.01 177.16 2qjp s GLU 141 N -4.78 3.51 0.27 2.33 0.41 -1.26 -5.10 118.70 114.08 2qjp s GLU 141 Ca -0.07 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 2qjp s GLU 141 Cb 0.15 -2.88 -0.10 0.00 -1.78 0.00 0.00 34.13 29.52 2qjp s GLU 141 CO 0.78 0.09 1.41 -2.14 -0.49 0.00 0.00 175.26 174.91 2qjp s PRO 142 N 0.73 4.28 0.23 0.39 0.02 -1.26 -4.91 135.00 134.47 2qjp s PRO 142 Ca -0.03 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 2qjp s PRO 142 Cb -0.15 -3.10 -0.15 0.00 0.02 0.00 0.00 34.50 31.12 2qjp s PRO 142 CO 0.02 -0.37 0.96 -0.35 -0.33 0.00 0.00 177.00 176.92 2qjp n PRO 143 N 1.96 0.97 -0.33 5.54 -0.04 -1.26 -4.73 135.00 137.10 2qjp n PRO 143 Ca 0.05 0.34 -0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2qjp n PRO 143 Cb 0.41 -1.68 0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2qjp n PRO 143 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2qjp h LYS 144 N 2.24 -0.05 -1.10 0.54 1.79 -2.00 -1.46 116.57 116.54 2qjp h LYS 144 Ca -0.39 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 58.40 2qjp h LYS 144 Cb 1.36 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.98 2qjp h LYS 144 CO 0.63 -0.03 1.04 0.00 -1.08 0.00 0.00 179.45 180.01 2qjp n ALA 146 N -2.46 3.60 0.00 0.00 0.00 -0.55 -4.52 120.51 116.58 2qjp n ALA 146 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2qjp n ALA 146 Cb 1.39 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2qjp n ALA 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qjp n GLU 147 N -0.52 0.00 -0.14 0.00 -0.58 0.17 0.12 120.64 119.69 2qjp n GLU 147 Ca 0.09 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.93 2qjp n GLU 147 Cb 0.40 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.43 2qjp n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qjp n GLY 148 N -0.37 4.83 1.23 0.62 0.00 -1.26 -4.73 105.19 105.51 2qjp n GLY 148 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 2qjp n GLY 148 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qjp n HIS 149 N -1.33 0.89 -2.57 1.61 8.25 0.32 -5.05 115.22 117.34 2qjp n HIS 149 Ca 0.17 -1.65 -0.43 0.00 -0.26 0.00 0.00 57.72 55.55 2qjp n HIS 149 Cb 0.67 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 2qjp n HIS 149 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qjp s GLU 150 N -3.06 4.11 -0.20 -0.41 2.02 -1.24 -4.74 118.70 115.18 2qjp s GLU 150 Ca 0.41 1.27 -0.37 0.00 0.02 0.00 0.00 54.97 56.30 2qjp s GLU 150 Cb 0.38 -3.74 -0.14 0.00 0.10 0.00 0.00 34.13 30.73 2qjp s GLU 150 CO -0.05 -0.84 1.83 -2.30 0.02 0.00 0.00 175.26 173.92 2qjp n PRO 151 N 6.78 1.63 -1.98 0.39 -0.02 -1.26 -4.84 135.00 135.69 2qjp n PRO 151 Ca 0.13 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 2qjp n PRO 151 Cb 0.46 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 2qjp n PRO 151 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qjp s ASP 152 N 3.99 6.62 0.00 2.55 2.15 -1.26 -2.09 116.67 128.63 2qjp s ASP 152 Ca 0.96 2.70 0.00 0.00 0.43 0.00 0.00 52.55 56.64 2qjp s ASP 152 Cb -0.89 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.11 2qjp s ASP 152 CO 0.59 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2qjp n GLY 153 N 2.23 2.44 3.88 2.66 0.00 -1.26 -5.07 105.19 110.07 2qjp n GLY 153 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2qjp n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qjp s PHE 154 N -2.54 2.01 -0.07 1.61 0.40 -0.89 -4.72 117.98 113.78 2qjp s PHE 154 Ca 0.00 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.54 2qjp s PHE 154 Cb 0.00 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2qjp s PHE 154 CO 0.00 -0.32 0.19 0.71 0.70 0.00 0.00 175.22 176.50 2qjp s TYR 155 N -2.68 -0.21 0.21 0.36 1.51 -0.44 -4.91 117.35 111.20 2qjp s TYR 155 Ca 0.39 0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 56.66 2qjp s TYR 155 Cb -0.02 0.07 -0.08 0.00 -0.11 0.00 0.00 41.96 41.82 2qjp s TYR 155 CO 0.23 -0.10 1.17 -0.47 -1.11 0.00 0.00 175.55 175.27 2qjp s TYR 156 N 0.09 3.46 -0.04 2.71 5.04 -1.26 -1.46 117.35 125.89 2qjp s TYR 156 Ca -0.00 1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 56.11 2qjp s TYR 156 Cb -0.01 -3.40 0.03 0.00 0.35 0.00 0.00 41.96 38.93 2qjp s TYR 156 CO 0.00 -1.04 0.06 1.21 -1.34 0.00 0.00 175.55 174.44 2qjp s ASN 157 N -0.13 0.87 0.57 4.32 3.84 -0.16 -4.29 114.94 119.96 2qjp s ASN 157 Ca 0.51 0.08 0.31 0.00 0.21 0.00 0.00 52.86 53.97 2qjp s ASN 157 Cb -0.32 -0.11 1.70 0.00 -0.55 0.00 0.00 41.25 41.97 2qjp s ASN 157 CO 0.38 -0.22 2.16 0.03 -2.79 0.00 0.00 177.10 176.66 2qjp h ARG 158 N 8.16 0.00 0.00 0.43 3.08 -1.49 -1.60 114.38 122.96 2qjp h ARG 158 Ca -0.20 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.65 2qjp h ARG 158 Cb 1.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2qjp h ARG 158 CO 0.23 0.06 -1.70 0.00 -1.07 0.00 0.00 179.97 177.49 2qjp n ALA 159 N -2.24 1.91 -2.10 0.04 0.00 -1.26 -3.30 120.51 113.55 2qjp n ALA 159 Ca -0.02 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 2qjp n ALA 159 Cb 0.18 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2qjp n ALA 159 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2qjp s PHE 160 N -2.88 2.30 -1.10 0.00 5.36 -1.18 -4.85 117.98 115.64 2qjp s PHE 160 Ca -0.05 0.43 0.12 0.00 -0.96 0.00 0.00 56.93 56.47 2qjp s PHE 160 Cb 0.09 -3.82 0.28 0.00 -0.34 0.00 0.00 43.02 39.23 2qjp s PHE 160 CO 0.83 -3.30 1.19 1.04 -1.46 0.00 0.00 175.22 173.51 2qjp n GLN 161 N 6.57 2.40 -0.59 10.12 1.13 -1.26 -1.84 117.38 133.90 2qjp n GLN 161 Ca 0.16 -1.90 0.06 0.00 -1.94 0.00 0.00 57.00 53.38 2qjp n GLN 161 Cb 0.43 -1.28 0.14 0.00 0.11 0.00 0.00 30.24 29.65 2qjp n GLN 161 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qjp n ASN 162 N 0.60 1.63 -4.95 1.08 3.02 -1.26 -4.01 115.26 111.37 2qjp n ASN 162 Ca 0.11 -3.24 -0.21 0.00 -0.03 0.00 0.00 54.58 51.21 2qjp n ASN 162 Cb 0.41 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 2qjp n ASN 162 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2qjp s GLY 163 N -2.77 2.06 0.51 7.41 0.00 -1.26 -5.02 107.32 108.25 2qjp s GLY 163 Ca 0.33 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 2qjp s GLY 163 CO -0.05 -1.73 0.92 -1.35 0.00 0.00 0.00 173.10 170.89 2qjp s SER 164 N -4.35 6.46 -0.03 1.64 1.04 -1.20 -4.55 113.70 112.70 2qjp s SER 164 Ca 0.49 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2qjp s SER 164 Cb -0.05 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.68 2qjp s SER 164 CO 0.30 -0.61 -0.00 -0.69 0.98 0.00 0.00 173.24 173.21 2qjp s VAL 165 N -2.72 0.23 0.30 5.02 1.01 -1.26 -1.64 120.40 121.35 2qjp s VAL 165 Ca 0.55 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2qjp s VAL 165 Cb -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.81 2qjp s VAL 165 CO 0.39 0.16 0.99 -2.65 0.00 0.00 0.00 175.10 173.99 2qjp n PRO 166 N 4.23 1.32 -0.32 2.72 -0.02 -1.26 -4.82 135.00 136.86 2qjp n PRO 166 Ca -0.24 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 2qjp n PRO 166 Cb 0.50 -1.84 0.39 0.00 -0.02 0.00 0.00 33.50 32.53 2qjp n PRO 166 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2qjp h ASP 167 N 1.91 0.65 0.00 2.55 5.19 -1.97 0.61 116.42 125.37 2qjp h ASP 167 Ca -0.40 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2qjp h ASP 167 Cb 1.34 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2qjp h ASP 167 CO 0.60 0.24 0.00 0.35 -3.12 0.00 0.00 179.24 177.31 2qjp n THR 168 N -4.67 0.00 -0.22 0.35 -2.24 -1.26 -1.15 114.28 105.09 2qjp n THR 168 Ca 0.22 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.02 2qjp n THR 168 Cb 0.63 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 68.06 2qjp n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjp s LYS 170 N -1.23 2.96 0.47 0.00 1.02 -0.30 0.17 119.74 122.83 2qjp s LYS 170 Ca 0.05 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 2qjp s LYS 170 Cb 0.04 -2.75 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 2qjp s LYS 170 CO 0.00 0.56 0.64 -0.40 -0.92 0.00 0.00 175.35 175.23 2qjp n ASP 171 N 0.28 0.49 -0.30 2.83 5.68 0.31 -4.84 116.55 121.00 2qjp n ASP 171 Ca -0.08 -1.50 0.21 0.00 -0.50 0.00 0.00 54.79 52.91 2qjp n ASP 171 Cb 0.52 -0.45 0.49 0.00 -1.14 0.00 0.00 41.12 40.54 2qjp n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qjp h ALA 172 N -1.06 2.18 -0.49 2.12 0.00 -2.00 -0.39 119.26 119.62 2qjp h ALA 172 Ca -0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qjp h ALA 172 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2qjp h ALA 172 CO 0.19 -0.55 0.00 0.09 0.00 0.00 0.00 179.25 178.98 2qjp n ASN 173 N -4.60 2.78 0.00 0.00 3.02 -1.26 -4.94 115.26 110.27 2qjp n ASN 173 Ca 0.23 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2qjp n ASN 173 Cb 0.80 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2qjp n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qjp n GLY 174 N 1.23 3.26 3.71 7.41 0.00 -0.15 -5.05 105.19 115.59 2qjp n GLY 174 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2qjp n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjp s VAL 175 N -2.31 2.17 0.26 1.61 1.01 -1.26 -4.50 120.40 117.38 2qjp s VAL 175 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2qjp s VAL 175 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 2qjp s VAL 175 CO 0.00 -0.05 0.65 -1.59 0.00 0.00 0.00 175.10 174.10 2qjp s LYS 176 N -4.12 3.95 -0.08 2.72 -2.85 -1.26 0.11 119.74 118.21 2qjp s LYS 176 Ca 0.73 0.52 -0.26 0.00 -1.00 0.00 0.00 55.97 55.96 2qjp s LYS 176 Cb -0.28 -2.61 -0.24 0.00 -2.06 0.00 0.00 37.83 32.64 2qjp s LYS 176 CO 0.50 0.27 0.98 1.15 0.10 0.00 0.00 175.35 178.35 2qjp h THR 177 N 2.14 1.60 -3.98 3.79 2.02 0.14 -3.45 112.91 115.18 2qjp h THR 177 Ca -0.48 -1.95 -0.55 0.00 0.77 0.00 0.00 66.41 64.21 2qjp h THR 177 Cb 1.18 2.88 0.18 0.00 -1.74 0.00 0.00 68.15 70.65 2qjp h THR 177 CO 0.67 0.52 0.24 0.35 0.37 0.00 0.00 175.52 177.66 2qjp n THR 178 N -4.60 2.74 0.08 3.16 -2.24 -1.26 -4.95 114.28 107.22 2qjp n THR 178 Ca -0.10 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2qjp n THR 178 Cb 0.45 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 2qjp n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjp h ALA 179 N -0.44 0.34 -3.00 6.98 0.00 -1.91 -3.46 119.26 117.77 2qjp h ALA 179 Ca -0.47 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.66 2qjp h ALA 179 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qjp h ALA 179 CO 0.47 0.93 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2qjp n GLY 180 N 1.12 3.88 2.29 0.00 0.00 -1.21 -4.80 105.19 106.48 2qjp n GLY 180 Ca -0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 2qjp n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qjp n SER 181 N 0.00 -1.07 -4.59 1.61 3.41 -0.61 -4.86 113.62 107.51 2qjp n SER 181 Ca 0.00 -1.58 -0.40 0.00 -0.26 0.00 0.00 58.87 56.63 2qjp n SER 181 Cb 0.00 1.74 -0.08 0.00 -0.26 0.00 0.00 64.21 65.61 2qjp n SER 181 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2qjp s TRP 182 N -3.81 3.23 0.14 7.33 0.51 -0.65 -0.99 118.94 124.70 2qjp s TRP 182 Ca 0.13 0.36 0.04 0.00 -2.12 0.00 0.00 56.10 54.51 2qjp s TRP 182 Cb -0.02 -2.70 -0.04 0.00 -0.81 0.00 0.00 33.47 29.91 2qjp s TRP 182 CO 0.04 -0.33 0.18 -1.50 -0.51 0.00 0.00 176.95 174.82 2qjp s ILE 183 N 2.19 4.79 -2.21 2.03 2.07 -0.53 -3.27 121.20 126.26 2qjp s ILE 183 Ca 0.17 -0.89 0.30 0.00 -1.41 0.00 0.00 60.65 58.82 2qjp s ILE 183 Cb -0.16 -3.43 0.75 0.00 0.13 0.00 0.00 42.46 39.76 2qjp s ILE 183 CO 0.11 -0.06 2.01 0.00 -1.91 0.00 0.00 174.94 175.09 2qjp n ALA 184 N -0.26 2.64 -2.52 1.50 0.00 -1.26 -1.33 120.51 119.28 2qjp n ALA 184 Ca -0.08 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 2qjp n ALA 184 Cb 0.54 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2qjp n ALA 184 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2qjp s MET 185 N -2.00 3.31 0.67 0.00 0.00 -1.26 -4.90 119.30 115.12 2qjp s MET 185 Ca 0.43 -0.41 -0.17 0.00 0.00 0.00 0.00 55.69 55.54 2qjp s MET 185 Cb 0.21 -3.92 0.00 0.00 0.00 0.00 0.00 34.83 31.12 2qjp s MET 185 CO 0.35 -0.90 1.22 -1.25 0.00 0.00 0.00 175.02 174.44 2qjp s PRO 186 N 2.58 2.52 0.10 4.11 0.04 -1.26 -4.79 135.00 138.29 2qjp s PRO 186 Ca 0.19 1.81 -0.36 0.00 0.04 0.00 0.00 61.00 62.68 2qjp s PRO 186 Cb -0.15 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 2qjp s PRO 186 CO 0.17 -1.56 1.32 -2.30 0.04 0.00 0.00 177.00 174.67 2qjp n PRO 187 N -2.20 1.16 -0.07 0.56 -0.02 -1.26 -4.89 135.00 128.28 2qjp n PRO 187 Ca 0.14 0.42 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2qjp n PRO 187 Cb 0.50 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 2qjp n PRO 187 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qjp n PRO 188 N 2.45 0.68 -3.58 0.52 -0.04 -1.26 -4.94 135.00 128.82 2qjp n PRO 188 Ca 0.18 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 2qjp n PRO 188 Cb 0.20 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 2qjp n PRO 188 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qjp s LEU 189 N -5.36 4.39 0.09 1.53 1.43 -1.26 -5.02 118.68 114.49 2qjp s LEU 189 Ca -0.09 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2qjp s LEU 189 Cb 0.08 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2qjp s LEU 189 CO 0.84 -0.23 0.04 -0.04 0.23 0.00 0.00 176.35 177.19 2qjp s MET 190 N 1.67 2.69 0.30 1.70 -1.94 -1.26 -4.87 119.30 117.59 2qjp s MET 190 Ca 0.05 -0.79 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 2qjp s MET 190 Cb -0.17 -2.61 -0.12 0.00 2.01 0.00 0.00 34.83 33.93 2qjp s MET 190 CO 0.09 0.54 1.45 -0.25 -0.01 0.00 0.00 175.02 176.85 2qjp n ASP 191 N 0.45 3.25 -3.97 3.03 9.92 -1.26 -2.84 116.55 125.13 2qjp n ASP 191 Ca -0.10 1.17 -0.39 0.00 -0.53 0.00 0.00 54.79 54.95 2qjp n ASP 191 Cb 0.52 -1.52 0.01 0.00 -0.64 0.00 0.00 41.12 39.49 2qjp n ASP 191 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2qjp n ASP 192 N 1.64 -3.56 0.04 -2.24 8.00 0.29 -4.85 116.55 115.88 2qjp n ASP 192 Ca 0.08 -1.19 0.11 0.00 0.71 0.00 0.00 54.79 54.50 2qjp n ASP 192 Cb 0.35 -2.31 -0.06 0.00 -0.02 0.00 0.00 41.12 39.08 2qjp n ASP 192 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2qjp n LEU 193 N -4.69 0.48 -4.20 0.64 7.94 -1.13 -4.81 117.00 111.23 2qjp n LEU 193 Ca -0.15 0.10 -0.33 0.00 -1.11 0.00 0.00 56.01 54.53 2qjp n LEU 193 Cb 0.60 -0.04 -0.16 0.00 0.53 0.00 0.00 43.42 44.34 2qjp n LEU 193 CO 0.74 -0.05 -0.53 -0.69 -1.11 0.00 0.00 177.39 175.74 2qjp s VAL 194 N -3.38 2.20 -0.65 1.96 1.01 -1.26 -5.06 120.40 115.22 2qjp s VAL 194 Ca -0.02 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2qjp s VAL 194 Cb 0.13 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2qjp s VAL 194 CO 0.84 0.54 1.35 -1.61 0.00 0.00 0.00 175.10 176.22 2qjp s GLU 195 N 0.77 3.23 0.52 2.72 0.41 -1.26 -4.75 118.70 120.34 2qjp s GLU 195 Ca -0.08 0.11 -0.18 0.00 -0.41 0.00 0.00 54.97 54.41 2qjp s GLU 195 Cb -0.16 -4.15 -0.07 0.00 -1.78 0.00 0.00 34.13 27.97 2qjp s GLU 195 CO -0.01 -2.05 1.03 0.71 -0.49 0.00 0.00 175.26 174.45 2qjp s TYR 196 N 5.96 3.10 -0.01 1.61 2.02 -1.26 -4.99 117.35 123.78 2qjp s TYR 196 Ca 0.44 1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 58.63 2qjp s TYR 196 Cb -0.09 -2.98 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2qjp s TYR 196 CO 0.20 -0.77 0.47 0.00 -1.57 0.00 0.00 175.55 173.88 2qjp h ALA 197 N 1.12 -0.44 0.00 3.71 0.00 -1.94 -3.26 119.26 118.43 2qjp h ALA 197 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qjp h ALA 197 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qjp h ALA 197 CO 0.59 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 2qjp n ASP 198 N -2.97 0.29 0.00 0.00 5.75 -1.26 -4.77 116.55 113.60 2qjp n ASP 198 Ca -0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 2qjp n ASP 198 Cb 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2qjp n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qjp n GLY 199 N 0.27 2.27 0.51 6.12 0.00 -1.23 -4.96 105.19 108.17 2qjp n GLY 199 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2qjp n GLY 199 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qjp n HIS 200 N -0.63 -0.20 -2.09 1.61 -0.00 -1.26 -4.73 115.22 107.91 2qjp n HIS 200 Ca 0.00 0.12 -0.41 0.00 -0.00 0.00 0.00 57.72 57.43 2qjp n HIS 200 Cb 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.99 29.68 2qjp n HIS 200 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2qjp s ASP 201 N -0.15 6.75 -0.68 0.26 -4.77 -1.26 -4.62 116.67 112.20 2qjp s ASP 201 Ca 0.09 2.61 0.01 0.00 -3.30 0.00 0.00 52.55 51.96 2qjp s ASP 201 Cb -0.12 -2.63 0.38 0.00 -1.09 0.00 0.00 42.92 39.47 2qjp s ASP 201 CO 0.09 -0.61 1.68 0.00 0.70 0.00 0.00 175.17 177.03 2qjp n ALA 202 N 1.96 5.96 -1.78 2.11 0.00 -1.26 -4.63 120.51 122.87 2qjp n ALA 202 Ca 0.05 -4.16 -0.39 0.00 0.00 0.00 0.00 53.44 48.93 2qjp n ALA 202 Cb 0.41 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2qjp n ALA 202 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qjp s SER 203 N -2.06 7.56 0.37 0.00 1.04 -1.26 0.11 113.70 119.45 2qjp s SER 203 Ca 0.51 1.90 0.21 0.00 0.48 0.00 0.00 55.95 59.04 2qjp s SER 203 Cb 0.43 -2.59 1.33 0.00 0.10 0.00 0.00 66.02 65.29 2qjp s SER 203 CO -0.31 0.12 1.57 0.52 0.98 0.00 0.00 173.24 176.12 2qjp n VAL 204 N 1.30 -0.42 0.39 5.02 0.31 -1.26 0.45 118.33 124.12 2qjp n VAL 204 Ca -0.01 2.02 -0.19 0.00 -0.01 0.00 0.00 64.34 66.15 2qjp n VAL 204 Cb 0.48 -3.28 -0.09 0.00 -0.91 0.00 0.00 33.84 30.04 2qjp n VAL 204 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2qjp h HIS 205 N 0.00 -1.13 0.23 3.52 -0.00 -1.96 -1.23 115.15 114.58 2qjp h HIS 205 Ca 0.84 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 61.21 2qjp h HIS 205 Cb 2.22 0.40 -0.04 0.00 -0.00 0.00 0.00 27.41 29.99 2qjp h HIS 205 CO -0.02 -0.64 -0.39 0.00 -0.00 0.00 0.00 177.93 176.87 2qjp h ALA 206 N -0.86 -0.76 -0.12 5.26 0.00 -0.32 0.11 119.26 122.57 2qjp h ALA 206 Ca -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2qjp h ALA 206 Cb 0.85 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2qjp h ALA 206 CO 0.10 -0.98 -0.40 0.52 0.00 0.00 0.00 179.25 178.48 2qjp h MET 207 N -0.70 -0.46 -0.70 0.00 2.86 -1.24 0.30 114.93 114.98 2qjp h MET 207 Ca 0.00 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 2qjp h MET 207 Cb 0.68 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.34 2qjp h MET 207 CO -0.16 -0.31 0.10 0.00 1.06 0.00 0.00 176.91 177.60 2qjp h ALA 208 N 0.16 0.83 -0.17 6.32 0.00 -0.95 0.13 119.26 125.58 2qjp h ALA 208 Ca 0.08 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2qjp h ALA 208 Cb 0.62 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2qjp h ALA 208 CO -0.38 -0.37 -0.36 1.49 0.00 0.00 0.00 179.25 179.63 2qjp h GLU 209 N 0.20 0.37 0.44 0.00 4.81 0.48 -2.44 114.58 118.44 2qjp h GLU 209 Ca 0.39 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2qjp h GLU 209 Cb 0.66 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2qjp h GLU 209 CO -0.54 0.68 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.77 2qjp h ASP 210 N 0.31 -0.51 -1.04 1.04 3.32 0.17 -2.94 116.42 116.78 2qjp h ASP 210 Ca 0.04 0.02 0.30 0.00 0.02 0.00 0.00 57.03 57.40 2qjp h ASP 210 Cb 0.78 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 2qjp h ASP 210 CO 0.06 -0.14 0.78 1.62 -1.72 0.00 0.00 179.24 179.84 2qjp h VAL 211 N -1.04 0.42 0.07 -1.35 3.04 -0.90 0.22 116.25 116.71 2qjp h VAL 211 Ca -0.06 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2qjp h VAL 211 Cb 0.46 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2qjp h VAL 211 CO 0.10 0.00 -0.03 0.28 -1.01 0.00 0.00 177.57 176.91 2qjp h SER 212 N 0.00 -0.08 -0.87 3.17 0.02 -1.42 -1.32 113.55 113.04 2qjp h SER 212 Ca 0.49 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2qjp h SER 212 Cb 2.05 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 64.56 2qjp h SER 212 CO -0.01 0.27 0.57 0.00 -1.14 0.00 0.00 176.83 176.52 2qjp h ALA 213 N 0.45 1.49 0.31 3.77 0.00 -0.42 0.17 119.26 125.02 2qjp h ALA 213 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qjp h ALA 213 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qjp h ALA 213 CO 0.02 0.41 -0.23 0.35 0.00 0.00 0.00 179.25 179.80 2qjp h PHE 214 N 1.05 -0.61 -0.10 0.00 3.57 -1.10 -0.94 116.94 118.81 2qjp h PHE 214 Ca 0.35 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.86 2qjp h PHE 214 Cb 0.08 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2qjp h PHE 214 CO -0.00 -0.35 0.07 -0.07 -2.23 0.00 0.00 178.31 175.73 2qjp h LEU 215 N -0.54 0.07 -0.68 0.59 3.38 -0.36 0.36 115.31 118.13 2qjp h LEU 215 Ca -0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qjp h LEU 215 Cb 0.47 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qjp h LEU 215 CO -0.00 0.05 -0.05 -0.03 0.09 0.00 0.00 178.44 178.49 2qjp h MET 216 N 0.08 0.97 -0.20 1.13 4.05 0.18 -1.99 114.93 119.14 2qjp h MET 216 Ca 0.04 -0.32 -0.14 0.00 -0.28 0.00 0.00 59.70 59.00 2qjp h MET 216 Cb 0.07 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2qjp h MET 216 CO -0.01 0.99 -0.44 2.35 0.23 0.00 0.00 176.91 180.04 2qjp h TRP 217 N 0.88 0.83 -0.06 1.39 7.01 0.42 -0.73 115.95 125.69 2qjp h TRP 217 Ca 0.15 -0.31 0.02 0.00 2.11 0.00 0.00 58.89 60.86 2qjp h TRP 217 Cb 0.59 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 2qjp h TRP 217 CO 0.04 1.08 0.12 0.00 -2.79 0.00 0.00 178.44 176.89 2qjp h ALA 218 N 0.60 1.44 0.01 2.65 0.00 -0.16 0.46 119.26 124.26 2qjp h ALA 218 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2qjp h ALA 218 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2qjp h ALA 218 CO 0.10 -0.16 -2.29 0.00 0.00 0.00 0.00 179.25 176.90 2qjp n ALA 219 N -2.19 1.43 -2.48 0.00 0.00 -0.77 -4.60 120.51 111.90 2qjp n ALA 219 Ca -0.01 -1.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 2qjp n ALA 219 Cb 0.21 -0.29 0.01 0.00 0.00 0.00 0.00 19.45 19.37 2qjp n ALA 219 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qjp n GLU 220 N -3.00 2.95 -0.52 0.00 -0.58 -0.29 -4.92 120.64 114.27 2qjp n GLU 220 Ca -0.34 -4.20 0.43 0.00 -0.42 0.00 0.00 57.16 52.63 2qjp n GLU 220 Cb 1.09 -2.03 0.75 0.00 -0.57 0.00 0.00 31.44 30.67 2qjp n GLU 220 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2qjp h PRO 221 N 2.62 0.04 -0.95 3.49 0.13 -0.34 0.58 132.00 137.58 2qjp h PRO 221 Ca 0.21 -0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.95 2qjp h PRO 221 Cb 1.04 -0.01 -0.23 0.00 0.13 0.00 0.00 31.00 31.93 2qjp h PRO 221 CO 0.75 0.02 0.50 1.63 -0.23 0.00 0.00 178.00 180.68 2qjp n LYS 222 N -4.22 2.45 0.01 0.86 4.76 -1.26 -4.58 118.16 116.19 2qjp n LYS 222 Ca 0.37 -2.68 -0.10 0.00 -2.87 0.00 0.00 58.31 53.03 2qjp n LYS 222 Cb 1.61 -2.06 -0.04 0.00 -1.84 0.00 0.00 35.03 32.70 2qjp n LYS 222 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qjp h LEU 223 N 1.37 -0.38 -0.42 -0.35 6.46 -0.17 -1.11 115.31 120.72 2qjp h LEU 223 Ca 0.48 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 58.25 2qjp h LEU 223 Cb 2.54 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 42.64 2qjp h LEU 223 CO 0.90 -0.17 -0.01 0.24 -0.62 0.00 0.00 178.44 178.79 2qjp h MET 224 N -0.17 0.74 -0.39 1.25 2.86 -1.83 -2.15 114.93 115.24 2qjp h MET 224 Ca 0.08 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2qjp h MET 224 Cb 0.27 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2qjp h MET 224 CO -0.19 0.82 0.13 0.00 1.06 0.00 0.00 176.91 178.73 2qjp h ALA 225 N 0.89 0.45 -0.21 6.32 0.00 -1.84 -0.24 119.26 124.62 2qjp h ALA 225 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2qjp h ALA 225 Cb 0.49 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2qjp h ALA 225 CO 0.02 -0.26 0.03 -0.09 0.00 0.00 0.00 179.25 178.95 2qjp h ARG 226 N 0.28 0.11 -0.66 0.00 2.43 -1.06 0.14 114.38 115.62 2qjp h ARG 226 Ca 0.18 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2qjp h ARG 226 Cb 0.17 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2qjp h ARG 226 CO -0.19 0.07 0.20 0.87 -1.51 0.00 0.00 179.97 179.42 2qjp h LYS 227 N 0.11 1.01 -0.12 0.20 1.57 -0.95 0.79 116.57 119.18 2qjp h LYS 227 Ca 0.10 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2qjp h LYS 227 Cb 0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2qjp h LYS 227 CO -0.14 0.86 0.01 1.96 -0.57 0.00 0.00 179.45 181.57 2qjp h GLN 228 N 0.97 0.21 -0.64 3.15 4.20 -0.71 0.51 115.11 122.80 2qjp h GLN 228 Ca 0.22 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.94 2qjp h GLN 228 Cb 0.28 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 2qjp h GLN 228 CO -0.01 0.44 0.32 0.00 -0.67 0.00 0.00 178.83 178.91 2qjp h ALA 229 N 0.76 0.86 0.71 3.87 0.00 -0.34 0.16 119.26 125.28 2qjp h ALA 229 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qjp h ALA 229 Cb 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qjp h ALA 229 CO 0.01 -0.06 -0.35 0.78 0.00 0.00 0.00 179.25 179.63 2qjp h GLY 230 N 0.57 -1.01 0.09 0.00 0.00 0.11 -1.02 103.07 101.80 2qjp h GLY 230 Ca 0.31 0.38 0.08 0.00 0.00 0.00 0.00 47.33 48.09 2qjp h GLY 230 CO -0.23 -0.37 -0.17 -2.75 0.00 0.00 0.00 176.54 173.02 2qjp h PHE 231 N -0.97 -0.42 -0.04 5.60 3.57 0.53 -0.01 116.94 125.20 2qjp h PHE 231 Ca -0.10 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.48 2qjp h PHE 231 Cb 0.74 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 2qjp h PHE 231 CO -0.03 -0.25 -0.34 1.15 -2.23 0.00 0.00 178.31 176.61 2qjp h THR 232 N -0.10 0.26 -0.55 4.41 2.02 -0.57 -1.46 112.91 116.92 2qjp h THR 232 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 2qjp h THR 232 Cb 0.39 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 2qjp h THR 232 CO -0.45 0.00 0.23 0.00 0.37 0.00 0.00 175.52 175.67 2qjp h ALA 233 N 0.24 0.70 -0.90 6.16 0.00 -0.59 -0.98 119.26 123.88 2qjp h ALA 233 Ca 0.07 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2qjp h ALA 233 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2qjp h ALA 233 CO -0.31 -0.16 0.59 0.28 0.00 0.00 0.00 179.25 179.65 2qjp h VAL 234 N 0.43 1.09 0.45 0.00 2.07 -0.55 -2.27 116.25 117.47 2qjp h VAL 234 Ca 0.26 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2qjp h VAL 234 Cb 0.26 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2qjp h VAL 234 CO -0.24 0.19 -0.21 0.24 0.02 0.00 0.00 177.57 177.57 2qjp h MET 235 N 1.06 -0.58 -0.53 1.57 2.86 -0.15 0.17 114.93 119.34 2qjp h MET 235 Ca 0.38 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.12 2qjp h MET 235 Cb 0.14 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 2qjp h MET 235 CO -0.13 -0.29 -0.53 0.74 1.06 0.00 0.00 176.91 177.76 2qjp h PHE 236 N -0.84 -1.66 -0.73 -0.22 0.04 -1.21 -1.74 116.94 110.59 2qjp h PHE 236 Ca -0.06 0.09 0.09 0.00 2.80 0.00 0.00 57.97 60.89 2qjp h PHE 236 Cb 0.56 0.79 -0.07 0.00 2.20 0.00 0.00 35.95 39.43 2qjp h PHE 236 CO 0.00 -0.43 0.38 -0.07 -0.60 0.00 0.00 178.31 177.58 2qjp h LEU 237 N -0.28 0.50 -0.08 1.54 3.38 -1.38 0.60 115.31 119.58 2qjp h LEU 237 Ca 0.09 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2qjp h LEU 237 Cb 0.52 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qjp h LEU 237 CO -0.64 0.28 0.03 0.74 0.09 0.00 0.00 178.44 178.94 2qjp h THR 238 N 0.63 0.98 0.36 0.22 2.02 -0.03 0.49 112.91 117.59 2qjp h THR 238 Ca 0.36 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 2qjp h THR 238 Cb 0.38 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2qjp h THR 238 CO -0.27 0.01 -0.17 0.58 0.37 0.00 0.00 175.52 176.04 2qjp h VAL 239 N 0.07 0.65 -0.85 3.16 2.07 -0.77 -2.23 116.25 118.36 2qjp h VAL 239 Ca 0.03 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2qjp h VAL 239 Cb 0.02 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2qjp h VAL 239 CO -0.04 0.02 0.55 0.25 0.02 0.00 0.00 177.57 178.38 2qjp h LEU 240 N -0.53 0.82 0.04 2.57 5.85 0.38 -1.85 115.31 122.59 2qjp h LEU 240 Ca -0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2qjp h LEU 240 Cb 0.40 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qjp h LEU 240 CO 0.08 0.53 -0.02 0.28 -0.34 0.00 0.00 178.44 178.97 2qjp h SER 241 N 0.93 -0.04 -0.38 1.25 0.02 0.18 -1.35 113.55 114.16 2qjp h SER 241 Ca 0.37 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2qjp h SER 241 Cb 0.23 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 2qjp h SER 241 CO -0.13 0.02 0.08 0.58 -1.14 0.00 0.00 176.83 176.24 2qjp h VAL 242 N -0.11 0.82 0.46 2.27 2.07 -0.78 0.46 116.25 121.45 2qjp h VAL 242 Ca -0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2qjp h VAL 242 Cb 0.09 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qjp h VAL 242 CO 0.01 0.04 -0.25 -0.07 0.02 0.00 0.00 177.57 177.32 2qjp h LEU 243 N 0.21 -0.62 -1.55 2.57 3.38 -1.25 -0.85 115.31 117.20 2qjp h LEU 243 Ca 0.18 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2qjp h LEU 243 Cb 0.20 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qjp h LEU 243 CO -0.23 -0.41 0.36 -0.07 0.09 0.00 0.00 178.44 178.18 2qjp h LEU 244 N -0.66 0.50 -0.52 1.67 3.38 -0.95 0.48 115.31 119.21 2qjp h LEU 244 Ca -0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qjp h LEU 244 Cb 0.53 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2qjp h LEU 244 CO 0.08 0.34 0.11 0.22 0.09 0.00 0.00 178.44 179.28 2qjp h TYR 245 N 0.58 0.88 -0.18 1.13 3.20 0.35 0.19 116.97 123.12 2qjp h TYR 245 Ca 0.22 -0.11 -0.20 0.00 3.14 0.00 0.00 58.73 61.78 2qjp h TYR 245 Cb 0.15 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2qjp h TYR 245 CO -0.00 0.79 -0.69 -0.07 -1.64 0.00 0.00 178.16 176.55 2qjp h LEU 246 N 0.73 0.84 -0.64 2.82 3.38 0.05 0.03 115.31 122.52 2qjp h LEU 246 Ca 0.16 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2qjp h LEU 246 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qjp h LEU 246 CO 0.01 1.30 0.23 0.74 0.09 0.00 0.00 178.44 180.80 2qjp h THR 247 N 0.52 1.24 -0.19 0.22 2.02 0.09 0.11 112.91 116.93 2qjp h THR 247 Ca -0.03 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2qjp h THR 247 Cb 1.29 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2qjp h THR 247 CO 0.14 0.31 -0.07 -1.13 0.37 0.00 0.00 175.52 175.13 2qjp h ASN 248 N 0.91 0.38 -0.23 4.18 -1.24 -0.56 0.15 115.58 119.18 2qjp h ASN 248 Ca 0.21 -0.39 0.05 0.00 0.71 0.00 0.00 56.30 56.87 2qjp h ASN 248 Cb 0.25 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 2qjp h ASN 248 CO -0.01 0.69 -0.08 0.50 -1.29 0.00 0.00 177.43 177.24 2qjp h LYS 249 N 0.08 -0.04 0.79 6.67 3.64 -0.75 0.79 116.57 127.74 2qjp h LYS 249 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2qjp h LYS 249 Cb 0.54 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2qjp h LYS 249 CO 0.02 -0.03 -0.38 -0.09 -2.27 0.00 0.00 179.45 176.71 2qjp h ARG 250 N -0.04 -1.02 -0.68 1.90 2.43 -0.72 -1.25 114.38 115.00 2qjp h ARG 250 Ca 0.12 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 2qjp h ARG 250 Cb 0.22 0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 29.91 2qjp h ARG 250 CO -0.26 -0.68 0.23 1.25 -1.51 0.00 0.00 179.97 179.00 2qjp h LEU 251 N -1.06 0.18 -0.45 3.80 5.85 -0.73 -2.49 115.31 120.41 2qjp h LEU 251 Ca -0.11 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 2qjp h LEU 251 Cb 0.81 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 2qjp h LEU 251 CO 0.18 0.08 -0.63 -0.50 -0.34 0.00 0.00 178.44 177.23 2qjp h TRP 252 N 0.38 0.00 -0.74 1.25 4.06 -0.77 -3.25 115.95 116.87 2qjp h TRP 252 Ca 0.36 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.53 2qjp h TRP 252 Cb 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.66 2qjp h TRP 252 CO -0.19 0.63 0.59 0.00 -3.56 0.00 0.00 178.44 175.90 2qjp h ALA 253 N 1.37 2.63 0.00 1.49 0.00 -0.74 0.55 119.26 124.56 2qjp h ALA 253 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qjp h ALA 253 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2qjp h ALA 253 CO 0.08 -0.97 0.00 0.41 0.00 0.00 0.00 179.25 178.77 2qjp n GLY 254 N -1.65 -0.67 0.96 0.00 0.00 -1.23 -3.59 105.19 99.02 2qjp n GLY 254 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2qjp n GLY 254 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qjp n VAL 255 N -0.71 0.61 0.04 1.61 0.31 0.19 -5.19 118.33 115.19 2qjp n VAL 255 Ca 0.07 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2qjp n VAL 255 Cb 0.03 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2qjp n VAL 255 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68