#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpo s GLY 3 N 0.00 1.82 0.06 5.00 0.00 0.63 -4.84 107.32 110.00 2qpo s GLY 3 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 44.72 44.92 2qpo s GLY 3 CO 0.00 0.41 -0.22 0.54 0.00 0.00 0.00 173.10 173.83 2qpo s LYS 4 N -4.73 1.87 -0.21 2.90 1.02 -1.26 -4.79 119.74 114.53 2qpo s LYS 4 Ca 0.58 -1.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.43 2qpo s LYS 4 Cb -0.13 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2qpo s LYS 4 CO 0.47 0.51 -0.01 -1.17 -0.92 0.00 0.00 175.35 174.24 2qpo s LEU 5 N -1.54 3.15 -0.18 3.17 2.96 -1.26 -1.72 118.68 123.27 2qpo s LEU 5 Ca 0.14 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2qpo s LEU 5 Cb -0.10 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2qpo s LEU 5 CO 0.05 0.03 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.19 2qpo s THR 6 N 1.21 3.86 -0.17 3.68 2.01 -0.56 0.17 115.64 125.85 2qpo s THR 6 Ca 0.03 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.69 2qpo s THR 6 Cb -0.15 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.67 2qpo s THR 6 CO 0.01 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.52 2qpo s VAL 7 N 0.66 1.99 -0.24 3.82 1.01 -0.53 -1.23 120.40 125.88 2qpo s VAL 7 Ca -0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 2qpo s VAL 7 Cb -0.14 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2qpo s VAL 7 CO 0.02 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.16 2qpo s ILE 8 N 1.22 5.17 0.22 2.22 1.01 0.60 -0.06 121.20 131.58 2qpo s ILE 8 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 2qpo s ILE 8 Cb -0.13 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2qpo s ILE 8 CO -0.10 0.35 0.42 0.28 0.00 0.00 0.00 174.94 175.88 2qpo s THR 9 N 1.09 0.02 -5.00 2.92 -1.32 0.57 -1.71 115.64 112.21 2qpo s THR 9 Ca 0.07 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 2qpo s THR 9 Cb -0.14 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 2qpo s THR 9 CO 0.04 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 2qpo n GLY 10 N -0.33 -0.55 2.38 6.08 0.00 -1.25 0.74 105.19 112.26 2qpo n GLY 10 Ca -0.04 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 2qpo n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qpo n PRO 11 N -0.15 -0.50 -1.70 1.61 -0.04 -1.26 -3.64 135.00 129.33 2qpo n PRO 11 Ca 0.00 -1.39 -0.37 0.00 -0.04 0.00 0.00 63.50 61.70 2qpo n PRO 11 Cb 0.00 -0.71 0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2qpo n PRO 11 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2qpo s MET 12 N -4.56 2.49 -1.63 0.54 -1.94 -1.26 -3.47 119.30 109.46 2qpo s MET 12 Ca 0.45 2.05 0.00 0.00 -1.71 0.00 0.00 55.69 56.47 2qpo s MET 12 Cb -0.02 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 34.98 2qpo s MET 12 CO 0.31 -1.64 0.00 0.66 -0.01 0.00 0.00 175.02 174.34 2qpo n TYR 13 N -2.00 -0.64 0.27 -0.03 4.02 -1.26 -4.64 117.16 112.88 2qpo n TYR 13 Ca 0.16 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.16 2qpo n TYR 13 Cb 0.48 -3.44 0.24 0.00 -0.02 0.00 0.00 39.34 36.61 2qpo n TYR 13 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2qpo n SER 14 N -1.30 3.42 0.00 7.72 3.41 -1.23 -4.54 113.62 121.10 2qpo n SER 14 Ca -0.21 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 2qpo n SER 14 Cb 0.64 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2qpo n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpo n GLY 15 N 1.51 0.62 0.14 5.00 0.00 -1.26 -4.52 105.19 106.67 2qpo n GLY 15 Ca 0.20 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 2qpo n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpo h LYS 16 N 0.00 0.00 0.05 1.61 1.57 -1.93 -0.44 116.57 117.43 2qpo h LYS 16 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2qpo h LYS 16 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2qpo h LYS 16 CO 0.00 0.60 -0.46 1.79 -0.57 0.00 0.00 179.45 180.81 2qpo h THR 17 N 0.00 1.56 -0.34 -0.16 1.35 -1.98 -2.26 112.91 111.08 2qpo h THR 17 Ca -0.01 -2.24 -0.01 0.00 -0.55 0.00 0.00 66.41 63.60 2qpo h THR 17 Cb 1.12 2.99 -0.02 0.00 -1.73 0.00 0.00 68.15 70.52 2qpo h THR 17 CO 0.08 0.62 0.16 0.71 -0.25 0.00 0.00 175.52 176.84 2qpo h THR 18 N -0.47 1.12 -0.26 6.82 1.35 -1.96 -1.68 112.91 117.83 2qpo h THR 18 Ca -0.07 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 2qpo h THR 18 Cb 1.28 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2qpo h THR 18 CO 0.09 0.14 0.09 -0.08 -0.25 0.00 0.00 175.52 175.50 2qpo h GLU 19 N 0.47 0.41 0.00 4.72 4.57 -1.09 -1.68 114.58 121.98 2qpo h GLU 19 Ca 0.12 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2qpo h GLU 19 Cb 0.05 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2qpo h GLU 19 CO -0.02 0.47 -0.02 1.37 -1.18 0.00 0.00 179.01 179.63 2qpo h LEU 20 N 0.27 0.00 -0.18 1.64 8.10 -0.76 -1.86 115.31 122.52 2qpo h LEU 20 Ca 0.09 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.86 2qpo h LEU 20 Cb 0.23 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.44 2qpo h LEU 20 CO -0.00 0.02 -0.95 -0.07 -4.11 0.00 0.00 178.44 173.33 2qpo h LEU 21 N 0.00 0.38 -0.93 0.17 3.38 -1.16 -1.63 115.31 115.53 2qpo h LEU 21 Ca -0.00 -0.32 0.27 0.00 0.09 0.00 0.00 57.88 57.91 2qpo h LEU 21 Cb 0.45 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 2qpo h LEU 21 CO 0.00 1.14 0.37 -1.28 0.09 0.00 0.00 178.44 178.76 2qpo h SER 22 N 0.15 0.21 0.17 -0.43 0.87 -0.44 -1.68 113.55 112.41 2qpo h SER 22 Ca -0.07 0.19 -0.22 0.00 -1.23 0.00 0.00 61.79 60.46 2qpo h SER 22 Cb 1.60 0.21 0.03 0.00 -0.44 0.00 0.00 62.40 63.80 2qpo h SER 22 CO 0.15 -0.14 -0.98 -0.26 -0.53 0.00 0.00 176.83 175.07 2qpo h PHE 23 N 0.27 0.66 -0.70 2.24 0.04 -1.33 -2.91 116.94 115.20 2qpo h PHE 23 Ca 0.62 -0.48 0.15 0.00 2.80 0.00 0.00 57.97 61.07 2qpo h PHE 23 Cb 1.32 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.33 2qpo h PHE 23 CO -0.16 1.38 0.09 0.28 -0.60 0.00 0.00 178.31 179.29 2qpo h VAL 24 N -0.24 0.47 -0.74 -0.55 2.07 -1.14 -2.58 116.25 113.53 2qpo h VAL 24 Ca -0.17 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2qpo h VAL 24 Cb 1.78 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2qpo h VAL 24 CO 0.18 0.03 0.29 -0.08 0.02 0.00 0.00 177.57 178.02 2qpo h GLU 25 N 0.19 1.10 -0.90 1.57 4.81 -1.33 -1.30 114.58 118.73 2qpo h GLU 25 Ca 0.39 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2qpo h GLU 25 Cb 0.66 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2qpo h GLU 25 CO -0.55 0.90 0.59 0.82 -0.73 0.00 0.00 179.01 180.04 2qpo h ILE 26 N 1.08 1.17 0.02 2.32 2.04 -1.25 0.24 117.51 123.12 2qpo h ILE 26 Ca 0.25 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.46 2qpo h ILE 26 Cb 0.21 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2qpo h ILE 26 CO -0.02 0.21 -1.03 1.88 0.00 0.00 0.00 178.15 179.19 2qpo h TYR 27 N 1.14 0.84 -0.30 1.37 0.05 -1.24 -2.16 116.97 116.67 2qpo h TYR 27 Ca 0.35 -0.47 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 2qpo h TYR 27 Cb -0.01 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 2qpo h TYR 27 CO -0.00 1.30 -0.01 0.87 -1.05 0.00 0.00 178.16 179.28 2qpo h LYS 28 N 0.30 0.54 -0.62 4.88 1.79 -1.08 0.97 116.57 123.35 2qpo h LYS 28 Ca -0.12 -0.18 0.12 0.00 -2.18 0.00 0.00 60.65 58.30 2qpo h LYS 28 Cb 1.68 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 32.25 2qpo h LYS 28 CO 0.19 0.69 0.42 -0.07 -1.08 0.00 0.00 179.45 179.60 2qpo h LEU 29 N 0.33 0.32 -0.55 2.94 3.38 -0.93 -0.41 115.31 120.40 2qpo h LEU 29 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qpo h LEU 29 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qpo h LEU 29 CO 0.02 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.34 2qpo n GLY 30 N -1.54 -0.32 2.85 0.83 0.00 -0.82 -4.91 105.19 101.29 2qpo n GLY 30 Ca 0.11 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2qpo n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qpo n LYS 31 N -0.14 -4.22 -4.06 1.61 4.81 -0.16 -5.00 118.16 110.99 2qpo n LYS 31 Ca 0.10 0.83 -0.33 0.00 -0.87 0.00 0.00 58.31 58.03 2qpo n LYS 31 Cb 0.16 -5.48 -0.07 0.00 0.02 0.00 0.00 35.03 29.66 2qpo n LYS 31 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qpo s LYS 32 N -5.53 3.12 0.05 1.64 -0.14 0.30 -5.02 119.74 114.17 2qpo s LYS 32 Ca 0.25 -0.47 -0.27 0.00 -1.36 0.00 0.00 55.97 54.12 2qpo s LYS 32 Cb -0.11 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.09 2qpo s LYS 32 CO 0.31 0.65 0.86 0.21 -0.76 0.00 0.00 175.35 176.62 2qpo s LYS 33 N -1.81 4.57 0.13 1.68 2.47 -1.26 -4.35 119.74 121.18 2qpo s LYS 33 Ca 0.24 1.24 0.07 0.00 -1.56 0.00 0.00 55.97 55.96 2qpo s LYS 33 Cb -0.12 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.82 2qpo s LYS 33 CO 0.15 0.20 -0.15 0.14 0.16 0.00 0.00 175.35 175.85 2qpo s VAL 34 N 0.17 1.47 -0.11 4.02 -7.23 -1.26 -0.74 120.40 116.72 2qpo s VAL 34 Ca 0.43 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2qpo s VAL 34 Cb -0.21 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.14 2qpo s VAL 34 CO 0.26 -0.37 -0.15 0.00 -0.31 0.00 0.00 175.10 174.53 2qpo s ALA 35 N -2.05 1.65 -0.10 1.32 0.00 -0.42 -4.99 121.76 117.18 2qpo s ALA 35 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2qpo s ALA 35 Cb -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2qpo s ALA 35 CO 0.04 -0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.70 2qpo s VAL 36 N 0.99 3.34 0.02 0.00 1.01 -1.26 -0.58 120.40 123.92 2qpo s VAL 36 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2qpo s VAL 36 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2qpo s VAL 36 CO -0.01 0.56 -0.08 -0.36 0.00 0.00 0.00 175.10 175.20 2qpo s PHE 37 N -0.23 0.68 0.06 5.22 0.08 0.38 -0.64 117.98 123.52 2qpo s PHE 37 Ca 0.02 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2qpo s PHE 37 Cb -0.13 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 2qpo s PHE 37 CO 0.03 -0.03 0.01 -1.59 -0.10 0.00 0.00 175.22 173.54 2qpo s LYS 38 N -0.89 0.64 -0.05 0.44 -2.85 -0.43 -1.44 119.74 115.17 2qpo s LYS 38 Ca -0.03 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2qpo s LYS 38 Cb -0.06 0.23 0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2qpo s LYS 38 CO 0.00 -0.14 1.63 -0.35 0.10 0.00 0.00 175.35 176.60 2qpo n PRO 39 N 0.14 1.12 -1.89 1.78 -0.05 -1.26 -1.38 135.00 133.46 2qpo n PRO 39 Ca -0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 63.50 63.05 2qpo n PRO 39 Cb 0.61 -1.10 0.00 0.00 -0.05 0.00 0.00 33.50 32.96 2qpo n PRO 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2qpo n ALA 60 N 0.93 -1.43 -1.99 0.55 0.00 -1.26 -4.27 120.51 113.03 2qpo n ALA 60 Ca 0.05 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 2qpo n ALA 60 Cb 0.55 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 2qpo n ALA 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qpo s HIS 61 N -0.24 3.84 -0.42 0.00 3.76 0.19 -4.92 115.29 117.50 2qpo s HIS 61 Ca 0.00 1.59 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 2qpo s HIS 61 Cb 0.00 -2.75 0.05 0.00 1.11 0.00 0.00 32.58 30.99 2qpo s HIS 61 CO 0.00 0.45 0.28 0.14 -0.85 0.00 0.00 174.74 174.77 2qpo s VAL 62 N -1.27 4.77 0.32 -0.90 -7.23 -1.26 -1.32 120.40 113.51 2qpo s VAL 62 Ca 0.38 -1.01 0.10 0.00 -1.81 0.00 0.00 61.98 59.64 2qpo s VAL 62 Cb -0.21 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 32.90 2qpo s VAL 62 CO 0.25 -0.40 -0.05 0.27 -0.31 0.00 0.00 175.10 174.85 2qpo s ILE 63 N 1.57 2.64 -0.28 -0.62 -4.36 -0.48 -5.00 121.20 114.68 2qpo s ILE 63 Ca 0.03 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 2qpo s ILE 63 Cb -0.21 -2.67 -0.12 0.00 1.25 0.00 0.00 42.46 40.70 2qpo s ILE 63 CO 0.06 -0.27 -0.35 -0.62 0.24 0.00 0.00 174.94 174.01 2qpo n GLU 64 N -0.85 0.59 -4.42 0.37 1.02 -1.26 -4.33 120.64 111.76 2qpo n GLU 64 Ca -0.05 0.25 -0.32 0.00 -0.02 0.00 0.00 57.16 57.02 2qpo n GLU 64 Cb 0.62 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 2qpo n GLU 64 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qpo s ARG 65 N -2.51 2.49 0.54 3.49 0.52 -1.26 -4.82 118.95 117.40 2qpo s ARG 65 Ca -0.38 -0.77 0.24 0.00 -0.52 0.00 0.00 55.73 54.30 2qpo s ARG 65 Cb 0.14 -2.48 1.41 0.00 0.52 0.00 0.00 34.95 34.55 2qpo s ARG 65 CO 0.50 0.59 2.03 -1.35 0.02 0.00 0.00 175.30 177.09 2qpo h PRO 66 N 4.36 0.00 0.00 3.54 0.11 -1.95 -1.52 132.00 136.54 2qpo h PRO 66 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qpo h PRO 66 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qpo h PRO 66 CO 0.54 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.72 2qpo n GLU 67 N -4.31 0.17 0.00 1.05 1.02 -1.26 -2.34 120.64 114.96 2qpo n GLU 67 Ca 0.06 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 2qpo n GLU 67 Cb 0.48 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.91 2qpo n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qpo n GLU 68 N -1.36 0.24 -0.01 3.49 1.02 -0.57 -3.92 120.64 119.52 2qpo n GLU 68 Ca 0.07 -0.08 -0.06 0.00 -0.02 0.00 0.00 57.16 57.07 2qpo n GLU 68 Cb 0.17 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.23 2qpo n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2qpo h MET 69 N 0.20 0.56 -0.62 3.49 2.86 -1.63 -3.18 114.93 116.60 2qpo h MET 69 Ca 0.00 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2qpo h MET 69 Cb 0.45 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.00 2qpo h MET 69 CO 0.00 0.81 -0.26 -2.13 1.06 0.00 0.00 176.91 176.39 2qpo n ARG 70 N -4.07 -0.16 0.28 1.72 3.00 -1.25 -1.36 116.66 114.81 2qpo n ARG 70 Ca -0.01 0.95 0.17 0.00 -0.00 0.00 0.00 57.85 58.96 2qpo n ARG 70 Cb 0.47 -1.41 0.93 0.00 0.00 0.00 0.00 32.46 32.45 2qpo n ARG 70 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qpo h LYS 71 N 0.00 0.00 -0.01 -0.14 3.64 -1.83 -2.15 116.57 116.08 2qpo h LYS 71 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qpo h LYS 71 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2qpo h LYS 71 CO -0.61 0.00 -0.07 0.66 -2.27 0.00 0.00 179.45 177.16 2qpo n TYR 72 N -3.70 0.00 -3.87 1.91 4.01 -0.46 -4.93 117.16 110.11 2qpo n TYR 72 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 2qpo n TYR 72 Cb 0.16 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.08 2qpo n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qpo s ILE 73 N -0.91 4.64 0.46 -0.72 1.01 -0.81 -4.86 121.20 120.02 2qpo s ILE 73 Ca 0.08 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.72 2qpo s ILE 73 Cb 0.07 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2qpo s ILE 73 CO 0.15 0.39 0.22 -1.61 0.00 0.00 0.00 174.94 174.09 2qpo s GLU 74 N 1.03 2.24 0.47 2.79 8.01 -1.26 -4.95 118.70 127.04 2qpo s GLU 74 Ca 0.04 -1.96 0.21 0.00 0.01 0.00 0.00 54.97 53.27 2qpo s GLU 74 Cb -0.14 -1.97 1.18 0.00 -4.31 0.00 0.00 34.13 28.90 2qpo s GLU 74 CO 0.03 -0.29 2.00 1.05 0.01 0.00 0.00 175.26 178.06 2qpo h GLU 75 N 1.21 0.00 -0.59 1.61 4.11 -2.00 -0.69 114.58 118.23 2qpo h GLU 75 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2qpo h GLU 75 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2qpo h GLU 75 CO 0.67 0.18 0.00 -0.40 0.07 0.00 0.00 179.01 179.53 2qpo n ASP 76 N -3.93 4.97 -4.65 3.06 5.75 -1.26 -4.93 116.55 115.56 2qpo n ASP 76 Ca -0.02 -2.63 -0.43 0.00 -0.01 0.00 0.00 54.79 51.71 2qpo n ASP 76 Cb 0.27 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 2qpo n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qpo s THR 77 N -2.18 4.11 -0.51 2.12 2.01 -0.27 -4.20 115.64 116.72 2qpo s THR 77 Ca 0.51 1.31 0.16 0.00 0.31 0.00 0.00 61.69 63.98 2qpo s THR 77 Cb 0.35 -3.94 -0.21 0.00 0.01 0.00 0.00 72.50 68.72 2qpo s THR 77 CO 0.21 -0.22 0.58 0.54 -0.69 0.00 0.00 174.62 175.04 2qpo n ARG 78 N 6.94 1.25 -3.80 4.92 3.00 0.08 -4.88 116.66 124.17 2qpo n ARG 78 Ca 0.15 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.85 57.81 2qpo n ARG 78 Cb 0.45 -1.31 -0.13 0.00 0.00 0.00 0.00 32.46 31.47 2qpo n ARG 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2qpo s GLY 79 N -3.01 -0.11 -0.09 -0.13 0.00 -1.18 -2.82 107.32 99.98 2qpo s GLY 79 Ca 0.02 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.32 2qpo s GLY 79 CO 0.68 0.57 -0.22 0.14 0.00 0.00 0.00 173.10 174.27 2qpo s VAL 80 N 0.38 1.89 -0.12 1.40 1.01 0.34 -1.30 120.40 124.00 2qpo s VAL 80 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2qpo s VAL 80 Cb -0.04 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2qpo s VAL 80 CO -0.02 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.11 2qpo s PHE 81 N 0.36 1.94 -0.09 5.22 0.08 0.25 -0.50 117.98 125.24 2qpo s PHE 81 Ca -0.17 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 55.89 2qpo s PHE 81 Cb -0.17 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2qpo s PHE 81 CO 0.08 -0.55 -0.07 0.42 -0.10 0.00 0.00 175.22 174.99 2qpo s ILE 82 N 1.30 0.91 0.30 0.64 1.01 0.63 -0.47 121.20 125.52 2qpo s ILE 82 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2qpo s ILE 82 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 2qpo s ILE 82 CO -0.06 0.34 0.39 -0.62 0.00 0.00 0.00 174.94 174.99 2qpo s ASP 83 N 1.46 5.96 -1.53 3.58 -1.08 -0.52 -0.49 116.67 124.04 2qpo s ASP 83 Ca -0.01 -0.15 -0.11 0.00 -0.52 0.00 0.00 52.55 51.77 2qpo s ASP 83 Cb -0.13 -1.40 0.08 0.00 -1.46 0.00 0.00 42.92 40.00 2qpo s ASP 83 CO -0.05 -0.28 0.77 -0.62 0.52 0.00 0.00 175.17 175.51 2qpo n GLU 84 N -1.50 -4.24 0.28 4.34 1.02 -0.27 -4.34 120.64 115.92 2qpo n GLU 84 Ca -0.04 0.49 0.16 0.00 -0.02 0.00 0.00 57.16 57.75 2qpo n GLU 84 Cb 0.58 -5.12 0.92 0.00 -0.02 0.00 0.00 31.44 27.79 2qpo n GLU 84 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qpo h VAL 85 N -1.83 0.47 -0.56 2.62 2.07 -1.41 -1.48 116.25 116.13 2qpo h VAL 85 Ca -0.60 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.05 2qpo h VAL 85 Cb 1.38 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2qpo h VAL 85 CO 0.68 0.00 0.39 0.06 0.02 0.00 0.00 177.57 178.72 2qpo h GLN 86 N 0.00 0.19 -0.00 1.57 -0.00 -1.83 -2.54 115.11 112.49 2qpo h GLN 86 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2qpo h GLN 86 Cb 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 2qpo h GLN 86 CO -0.00 0.12 -0.13 1.19 -0.00 0.00 0.00 178.83 180.01 2qpo n PHE 87 N -4.43 0.00 -2.94 0.06 3.72 -0.56 -4.74 117.46 108.56 2qpo n PHE 87 Ca 0.10 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.20 2qpo n PHE 87 Cb 0.50 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 2qpo n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qpo s PHE 88 N -2.71 3.47 0.38 1.38 0.08 -0.96 -5.06 117.98 114.56 2qpo s PHE 88 Ca 0.22 0.99 -0.26 0.00 0.12 0.00 0.00 56.93 58.00 2qpo s PHE 88 Cb 0.19 -2.39 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 2qpo s PHE 88 CO 0.52 -0.05 1.20 1.21 -0.10 0.00 0.00 175.22 178.00 2qpo s ASN 89 N -3.11 6.59 0.00 1.36 3.84 -1.26 -4.71 114.94 117.65 2qpo s ASN 89 Ca 0.50 2.43 0.00 0.00 0.21 0.00 0.00 52.86 56.00 2qpo s ASN 89 Cb -0.10 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 2qpo s ASN 89 CO 0.30 -0.64 0.56 -2.65 -2.79 0.00 0.00 177.10 171.88 2qpo n PRO 90 N 0.27 0.00 0.16 0.43 -0.02 -1.26 -1.45 135.00 133.13 2qpo n PRO 90 Ca 0.03 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2qpo n PRO 90 Cb 0.45 -1.56 0.56 0.00 -0.02 0.00 0.00 33.50 32.93 2qpo n PRO 90 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qpo h SER 91 N 0.00 0.00 -0.22 2.55 4.64 -2.00 -2.81 113.55 115.70 2qpo h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qpo h SER 91 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2qpo h SER 91 CO 0.00 0.00 0.14 0.25 -0.87 0.00 0.00 176.83 176.35 2qpo h LEU 92 N 0.00 0.26 -0.78 5.97 5.85 -1.62 -2.35 115.31 122.65 2qpo h LEU 92 Ca 0.00 -0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.89 2qpo h LEU 92 Cb 0.31 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.14 2qpo h LEU 92 CO 0.00 0.20 0.04 0.15 -0.34 0.00 0.00 178.44 178.49 2qpo h PHE 93 N 0.31 0.02 0.00 1.25 3.57 -1.76 0.86 116.94 121.18 2qpo h PHE 93 Ca 0.08 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.44 2qpo h PHE 93 Cb -0.02 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2qpo h PHE 93 CO 0.00 -0.23 -1.07 0.93 -2.23 0.00 0.00 178.31 175.70 2qpo h GLU 94 N 0.12 0.00 -0.06 1.11 4.39 -1.66 -1.34 114.58 117.14 2qpo h GLU 94 Ca 0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 2qpo h GLU 94 Cb 0.79 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2qpo h GLU 94 CO -0.67 0.67 0.03 0.28 -1.16 0.00 0.00 179.01 178.16 2qpo h VAL 95 N 0.00 1.11 -0.45 3.13 2.07 -1.21 -2.11 116.25 118.80 2qpo h VAL 95 Ca -0.08 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 2qpo h VAL 95 Cb 1.69 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2qpo h VAL 95 CO 0.09 0.09 -0.07 0.58 0.02 0.00 0.00 177.57 178.28 2qpo h VAL 96 N -0.02 1.27 -0.74 2.57 2.07 -0.86 -2.65 116.25 117.90 2qpo h VAL 96 Ca 0.02 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.47 2qpo h VAL 96 Cb 0.12 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 2qpo h VAL 96 CO -0.00 0.40 0.38 0.50 0.02 0.00 0.00 177.57 178.87 2qpo h LYS 97 N 0.68 0.62 -0.53 1.57 3.64 -1.17 -1.49 116.57 119.88 2qpo h LYS 97 Ca 0.12 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2qpo h LYS 97 Cb 0.60 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2qpo h LYS 97 CO 0.04 0.41 0.04 0.22 -2.27 0.00 0.00 179.45 177.88 2qpo h ASP 98 N 0.63 0.84 -0.46 4.20 3.58 -1.21 -2.01 116.42 121.99 2qpo h ASP 98 Ca 0.37 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 2qpo h ASP 98 Cb 0.39 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2qpo h ASP 98 CO -0.27 0.88 0.03 -0.07 -2.88 0.00 0.00 179.24 176.93 2qpo h LEU 99 N 0.82 0.76 -0.44 2.28 3.38 -1.00 -2.53 115.31 118.58 2qpo h LEU 99 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qpo h LEU 99 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2qpo h LEU 99 CO 0.02 0.86 0.29 -0.07 0.09 0.00 0.00 178.44 179.63 2qpo h LEU 100 N 0.64 0.51 -1.92 1.67 3.38 -1.02 -0.91 115.31 117.65 2qpo h LEU 100 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qpo h LEU 100 Cb 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qpo h LEU 100 CO 0.02 0.38 -0.11 0.44 0.09 0.00 0.00 178.44 179.26 2qpo h ASP 101 N 0.60 0.00 -0.08 -0.43 3.32 -1.26 0.20 116.42 118.78 2qpo h ASP 101 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2qpo h ASP 101 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2qpo h ASP 101 CO -0.03 0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.13 2qpo n ARG 102 N -4.05 1.47 -0.57 3.56 1.74 -0.96 -4.87 116.66 112.97 2qpo n ARG 102 Ca -0.02 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 2qpo n ARG 102 Cb 0.19 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2qpo n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpo n GLY 103 N 1.05 0.69 3.70 -0.13 0.00 -0.82 -4.91 105.19 104.78 2qpo n GLY 103 Ca 0.17 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2qpo n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpo s ILE 104 N -2.00 5.30 0.21 -0.61 1.01 -0.38 -3.99 121.20 120.74 2qpo s ILE 104 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2qpo s ILE 104 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2qpo s ILE 104 CO 0.00 0.35 1.01 -1.81 0.00 0.00 0.00 174.94 174.49 2qpo s ASP 105 N 0.72 7.45 -0.07 3.58 1.01 -1.13 -3.71 116.67 124.53 2qpo s ASP 105 Ca 0.15 2.02 0.03 0.00 0.71 0.00 0.00 52.55 55.46 2qpo s ASP 105 Cb -0.13 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.20 2qpo s ASP 105 CO 0.04 -0.03 -0.17 -0.69 0.21 0.00 0.00 175.17 174.54 2qpo s VAL 106 N -0.75 1.46 -0.12 -1.27 1.01 -0.70 -0.50 120.40 119.53 2qpo s VAL 106 Ca 0.45 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2qpo s VAL 106 Cb -0.28 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2qpo s VAL 106 CO 0.34 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 175.31 2qpo s PHE 107 N 0.49 2.40 -0.06 5.22 0.08 0.35 -1.49 117.98 124.97 2qpo s PHE 107 Ca -0.15 -1.13 0.04 0.00 0.12 0.00 0.00 56.93 55.81 2qpo s PHE 107 Cb -0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2qpo s PHE 107 CO 0.05 -0.51 -0.18 0.00 -0.10 0.00 0.00 175.22 174.48 2qpo s ALA 109 N 0.26 2.54 0.15 0.00 0.00 0.36 -0.29 121.76 124.78 2qpo s ALA 109 Ca -0.10 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 2qpo s ALA 109 Cb -0.14 -0.99 0.07 0.00 0.00 0.00 0.00 23.12 22.06 2qpo s ALA 109 CO 0.04 0.42 0.99 0.20 0.00 0.00 0.00 175.76 177.41 2qpo s GLY 110 N -0.24 -0.21 0.27 0.00 0.00 -0.69 -1.11 107.32 105.35 2qpo s GLY 110 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.55 2qpo s GLY 110 CO 0.03 0.20 0.95 1.08 0.00 0.00 0.00 173.10 175.37 2qpo s LEU 111 N -2.99 4.53 -0.06 0.66 1.43 -1.26 -3.87 118.68 117.11 2qpo s LEU 111 Ca 0.13 1.93 -0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2qpo s LEU 111 Cb -0.01 -3.76 -0.28 0.00 0.03 0.00 0.00 46.19 42.17 2qpo s LEU 111 CO 0.02 0.05 0.61 -2.24 0.23 0.00 0.00 176.35 175.02 2qpo h ASP 112 N 3.76 0.42 -4.45 2.29 3.04 -1.94 -3.43 116.42 116.11 2qpo h ASP 112 Ca -0.46 -0.74 -0.41 0.00 -3.24 0.00 0.00 57.03 52.19 2qpo h ASP 112 Cb 1.20 -0.14 -0.21 0.00 -1.04 0.00 0.00 39.33 39.14 2qpo h ASP 112 CO 0.67 1.64 -0.78 -0.76 -2.04 0.00 0.00 179.24 177.97 2qpo s LEU 113 N -6.99 2.29 0.80 0.15 1.43 -1.26 -1.74 118.68 113.36 2qpo s LEU 113 Ca -0.15 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2qpo s LEU 113 Cb 0.06 -0.50 0.08 0.00 0.03 0.00 0.00 46.19 45.86 2qpo s LEU 113 CO 0.82 -0.09 1.17 0.42 0.23 0.00 0.00 176.35 178.90 2qpo s THR 114 N -1.38 2.18 0.08 5.49 -4.23 0.10 -4.84 115.64 113.05 2qpo s THR 114 Ca -0.01 0.06 0.24 0.00 -1.18 0.00 0.00 61.69 60.80 2qpo s THR 114 Cb -0.09 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2qpo s THR 114 CO 0.02 -0.08 1.72 1.12 -0.54 0.00 0.00 174.62 176.87 2qpo h HIS 115 N -1.04 0.00 -0.52 3.99 2.07 -1.90 0.23 115.15 117.97 2qpo h HIS 115 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2qpo h HIS 115 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 2qpo h HIS 115 CO 0.33 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.82 2qpo n LYS 116 N -2.41 2.41 -2.83 5.12 5.02 -1.26 -4.54 118.16 119.66 2qpo n LYS 116 Ca -0.02 -2.17 -0.19 0.00 -2.02 0.00 0.00 58.31 53.92 2qpo n LYS 116 Cb 0.14 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2qpo n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qpo n GLN 117 N 1.30 -3.82 -4.00 1.97 6.02 0.80 -5.05 117.38 114.60 2qpo n GLN 117 Ca 0.20 0.78 -0.29 0.00 -0.01 0.00 0.00 57.00 57.68 2qpo n GLN 117 Cb 0.53 -5.34 -0.05 0.00 1.02 0.00 0.00 30.24 26.40 2qpo n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qpo s ASN 118 N -2.69 5.90 0.36 1.08 0.02 -1.26 -4.80 114.94 113.55 2qpo s ASN 118 Ca 0.22 0.08 -0.27 0.00 -1.02 0.00 0.00 52.86 51.88 2qpo s ASN 118 Cb -0.10 -1.68 -0.09 0.00 0.02 0.00 0.00 41.25 39.39 2qpo s ASN 118 CO 0.28 0.14 1.25 -2.84 0.02 0.00 0.00 177.10 175.95 2qpo s PRO 119 N -2.65 4.22 -0.20 -0.60 0.02 -1.26 0.03 135.00 134.55 2qpo s PRO 119 Ca 0.32 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 2qpo s PRO 119 Cb -0.12 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2qpo s PRO 119 CO 0.25 -0.25 1.02 -0.06 -0.33 0.00 0.00 177.00 177.63 2qpo s PHE 120 N -1.23 3.37 0.16 6.54 0.08 -0.71 -4.81 117.98 121.38 2qpo s PHE 120 Ca 0.52 1.47 -0.18 0.00 0.12 0.00 0.00 56.93 58.86 2qpo s PHE 120 Cb -0.36 -3.23 0.08 0.00 -0.57 0.00 0.00 43.02 38.93 2qpo s PHE 120 CO 0.47 -0.42 1.66 1.49 -0.10 0.00 0.00 175.22 178.32 2qpo h GLU 121 N 7.39 -0.07 -0.78 0.44 4.81 -1.90 -1.73 114.58 122.74 2qpo h GLU 121 Ca -0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2qpo h GLU 121 Cb 1.08 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2qpo h GLU 121 CO 0.95 -0.04 0.46 1.15 -0.73 0.00 0.00 179.01 180.79 2qpo h THR 122 N -0.07 1.22 -0.60 0.32 2.02 -1.85 -0.88 112.91 113.08 2qpo h THR 122 Ca 0.18 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 2qpo h THR 122 Cb 0.35 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2qpo h THR 122 CO -0.41 0.23 0.07 0.74 0.37 0.00 0.00 175.52 176.52 2qpo h THR 123 N 1.07 1.25 -0.48 3.16 2.02 -1.71 -2.43 112.91 115.79 2qpo h THR 123 Ca 0.28 -1.01 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 2qpo h THR 123 Cb -0.03 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2qpo h THR 123 CO -0.05 0.37 -0.17 0.00 0.37 0.00 0.00 175.52 176.05 2qpo h ALA 124 N 1.15 0.79 -0.51 6.16 0.00 -0.69 -1.69 119.26 124.48 2qpo h ALA 124 Ca 0.18 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2qpo h ALA 124 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2qpo h ALA 124 CO 0.01 0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 179.81 2qpo h LEU 125 N 0.82 0.92 -1.06 0.00 4.07 -1.05 -2.68 115.31 116.34 2qpo h LEU 125 Ca 0.12 -0.32 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 2qpo h LEU 125 Cb 0.72 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 2qpo h LEU 125 CO 0.06 1.03 -0.36 -0.07 -1.08 0.00 0.00 178.44 178.01 2qpo h LEU 126 N 0.80 0.00 -0.25 1.67 3.38 -1.18 -2.64 115.31 117.09 2qpo h LEU 126 Ca 0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 2qpo h LEU 126 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2qpo h LEU 126 CO 0.03 0.36 -0.63 -0.07 0.09 0.00 0.00 178.44 178.23 2qpo h LEU 127 N 0.00 0.97 -1.54 1.67 3.38 -1.21 -1.22 115.31 117.36 2qpo h LEU 127 Ca -0.00 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.46 2qpo h LEU 127 Cb 0.83 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2qpo h LEU 127 CO 0.05 1.36 0.38 0.28 0.09 0.00 0.00 178.44 180.60 2qpo h SER 128 N 0.63 0.50 1.34 -0.43 0.02 -1.18 -2.99 113.55 111.44 2qpo h SER 128 Ca -0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2qpo h SER 128 Cb 1.25 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2qpo h SER 128 CO 0.14 0.33 -0.66 0.25 -1.14 0.00 0.00 176.83 175.75 2qpo h LEU 129 N 0.57 0.00-10.05 5.07 6.46 -1.36 -3.48 115.31 112.51 2qpo h LEU 129 Ca 0.24 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.46 2qpo h LEU 129 Cb 0.24 0.00 0.13 0.00 -0.73 0.00 0.00 40.66 40.29 2qpo h LEU 129 CO -0.07 0.01 0.57 0.00 -0.62 0.00 0.00 178.44 178.33 2qpo s ALA 130 N -3.31 2.76 0.09 1.25 0.00 -0.47 -4.85 121.76 117.23 2qpo s ALA 130 Ca 0.02 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.27 2qpo s ALA 130 Cb 0.08 -3.53 -0.23 0.00 0.00 0.00 0.00 23.12 19.44 2qpo s ALA 130 CO 0.75 -1.28 1.17 -0.44 0.00 0.00 0.00 175.76 175.96 2qpo h ASP 131 N 1.38 0.08 -3.50 0.00 3.32 -0.62 -3.47 116.42 113.61 2qpo h ASP 131 Ca -0.51 -0.09 -0.30 0.00 0.02 0.00 0.00 57.03 56.15 2qpo h ASP 131 Cb 1.30 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.48 2qpo h ASP 131 CO 0.57 1.07 -0.72 -0.89 -1.72 0.00 0.00 179.24 177.55 2qpo s THR 132 N -2.68 -0.06 -0.17 0.35 2.01 -0.98 -5.02 115.64 109.08 2qpo s THR 132 Ca -0.01 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 2qpo s THR 132 Cb 0.09 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.49 2qpo s THR 132 CO 0.83 0.09 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.09 2qpo s VAL 133 N 1.15 3.35 -0.28 3.82 1.01 -1.26 -1.46 120.40 126.72 2qpo s VAL 133 Ca -0.08 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2qpo s VAL 133 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2qpo s VAL 133 CO -0.03 0.48 0.06 -0.63 0.00 0.00 0.00 175.10 174.98 2qpo s ILE 134 N 0.76 3.87 -0.37 2.22 1.01 0.92 -4.97 121.20 124.63 2qpo s ILE 134 Ca -0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 2qpo s ILE 134 Cb -0.15 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2qpo s ILE 134 CO 0.02 0.15 0.50 -0.54 0.00 0.00 0.00 174.94 175.07 2qpo s LYS 135 N 1.50 3.48 0.05 2.79 -0.14 -1.26 -0.31 119.74 125.85 2qpo s LYS 135 Ca 0.03 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.23 2qpo s LYS 135 Cb -0.17 -3.85 -0.05 0.00 -1.68 0.00 0.00 37.83 32.08 2qpo s LYS 135 CO 0.01 -0.71 0.37 0.15 -0.76 0.00 0.00 175.35 174.41 2qpo s LYS 136 N 2.36 3.73 0.14 1.68 -0.14 0.23 -4.96 119.74 122.78 2qpo s LYS 136 Ca 0.17 0.13 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 2qpo s LYS 136 Cb -0.16 -3.04 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 2qpo s LYS 136 CO 0.14 0.59 0.01 0.15 -0.76 0.00 0.00 175.35 175.49 2qpo s LYS 137 N -1.79 2.51 0.50 1.68 1.02 -1.26 -4.26 119.74 118.13 2qpo s LYS 137 Ca 0.31 -0.99 0.07 0.00 0.02 0.00 0.00 55.97 55.37 2qpo s LYS 137 Cb -0.14 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2qpo s LYS 137 CO 0.17 0.49 0.40 0.00 -0.92 0.00 0.00 175.35 175.49 2qpo s ALA 138 N -1.58 4.27 0.02 5.17 0.00 -0.33 -4.56 121.76 124.76 2qpo s ALA 138 Ca 0.27 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 2qpo s ALA 138 Cb -0.10 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 2qpo s ALA 138 CO 0.19 -0.39 1.15 0.08 0.00 0.00 0.00 175.76 176.79 2qpo s VAL 139 N -2.67 4.26 -0.03 0.00 1.01 -1.26 -1.33 120.40 120.38 2qpo s VAL 139 Ca 0.40 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 2qpo s VAL 139 Cb -0.02 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2qpo s VAL 139 CO 0.24 0.10 1.69 0.00 0.00 0.00 0.00 175.10 177.13 2qpo h HIS 141 N 9.55 0.00 0.00 0.00 2.76 -1.11 -1.14 115.15 125.21 2qpo h HIS 141 Ca -0.41 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.71 2qpo h HIS 141 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 2qpo h HIS 141 CO 0.89 0.00 -0.81 -2.13 -1.30 0.00 0.00 177.93 174.57 2qpo n ARG 142 N -3.90 0.49 0.00 5.26 0.63 -1.26 -4.67 116.66 113.20 2qpo n ARG 142 Ca -0.01 0.46 0.11 0.00 -0.92 0.00 0.00 57.85 57.49 2qpo n ARG 142 Cb 0.20 -1.64 0.03 0.00 0.45 0.00 0.00 32.46 31.50 2qpo n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qpo n GLY 144 N 1.48 1.17 3.89 0.00 0.00 -0.43 -5.00 105.19 106.29 2qpo n GLY 144 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2qpo n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpo s GLU 145 N -0.55 3.42 -1.28 1.61 0.41 -1.26 -4.63 118.70 116.41 2qpo s GLU 145 Ca 0.00 0.48 -0.15 0.00 -0.41 0.00 0.00 54.97 54.88 2qpo s GLU 145 Cb 0.00 -2.18 0.11 0.00 -1.78 0.00 0.00 34.13 30.28 2qpo s GLU 145 CO 0.00 -0.54 1.70 0.98 -0.49 0.00 0.00 175.26 176.91 2qpo n TYR 146 N -2.62 4.50 -1.62 1.61 9.36 -1.26 -0.38 117.16 126.74 2qpo n TYR 146 Ca 0.04 -3.04 0.00 0.00 3.32 0.00 0.00 57.90 58.23 2qpo n TYR 146 Cb 0.55 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 2qpo n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qpo n ASN 147 N 6.73 0.00 -4.68 2.98 6.94 -0.93 -4.96 115.26 121.33 2qpo n ASN 147 Ca 0.44 -0.81 -0.43 0.00 -0.02 0.00 0.00 54.58 53.77 2qpo n ASN 147 Cb 0.43 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 2qpo n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qpo s ALA 148 N 0.00 3.46 -0.07 -2.53 0.00 -0.44 -4.41 121.76 117.77 2qpo s ALA 148 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2qpo s ALA 148 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qpo s ALA 148 CO 0.00 -0.69 0.06 0.25 0.00 0.00 0.00 175.76 175.38 2qpo n THR 149 N 4.66 0.00 -4.44 0.00 -2.24 -0.90 -1.18 114.28 110.18 2qpo n THR 149 Ca 0.10 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 2qpo n THR 149 Cb 0.48 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.56 2qpo n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qpo s LEU 150 N -2.15 2.58 -0.06 3.22 1.43 -0.73 -4.02 118.68 118.95 2qpo s LEU 150 Ca 0.00 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2qpo s LEU 150 Cb 0.01 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2qpo s LEU 150 CO 0.06 -0.17 -0.15 -0.89 0.23 0.00 0.00 176.35 175.43 2qpo s THR 151 N -2.79 2.97 -0.00 5.49 2.01 -1.26 -1.13 115.64 120.94 2qpo s THR 151 Ca 0.29 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2qpo s THR 151 Cb 0.00 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2qpo s THR 151 CO 0.12 0.58 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.30 2qpo s LEU 152 N -0.58 2.05 -0.18 4.42 2.96 0.51 -4.19 118.68 123.66 2qpo s LEU 152 Ca 0.08 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 2qpo s LEU 152 Cb -0.11 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2qpo s LEU 152 CO 0.01 0.12 0.60 -0.75 -1.32 0.00 0.00 176.35 175.01 2qpo s LYS 153 N -0.41 4.23 0.22 1.98 2.20 -1.26 -0.78 119.74 125.93 2qpo s LYS 153 Ca 0.04 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 2qpo s LYS 153 Cb -0.05 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2qpo s LYS 153 CO -0.00 -0.17 -0.02 0.14 -0.36 0.00 0.00 175.35 174.94 2qpo s VAL 154 N 1.68 1.03 0.18 4.02 -7.23 0.94 -4.95 120.40 116.06 2qpo s VAL 154 Ca 0.28 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.09 2qpo s VAL 154 Cb -0.16 -2.26 -0.13 0.00 0.56 0.00 0.00 36.38 34.39 2qpo s VAL 154 CO 0.11 -0.39 1.60 0.00 -0.31 0.00 0.00 175.10 176.11 2qpo n ALA 155 N -0.38 1.67 -1.11 1.32 0.00 -1.26 0.30 120.51 121.05 2qpo n ALA 155 Ca -0.06 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.61 2qpo n ALA 155 Cb 0.63 -2.38 0.19 0.00 0.00 0.00 0.00 19.45 17.89 2qpo n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpo n GLY 156 N 3.45 4.27 0.29 0.00 0.00 -1.26 -4.63 105.19 107.30 2qpo n GLY 156 Ca 0.16 -1.03 0.19 0.00 0.00 0.00 0.00 46.02 45.34 2qpo n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qpo h GLY 157 N 1.38 0.00 -3.40 -0.02 0.00 -1.97 -3.45 103.07 95.62 2qpo h GLY 157 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.49 2qpo h GLY 157 CO 1.01 0.00 -0.75 -0.54 0.00 0.00 0.00 176.54 176.27 2qpo s GLU 158 N -3.86 1.04 0.00 4.80 2.02 -1.26 -5.22 118.70 116.22 2qpo s GLU 158 Ca -0.02 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2qpo s GLU 158 Cb 0.11 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.49 2qpo s GLU 158 CO 0.44 0.15 0.00 -1.91 0.02 0.00 0.00 175.26 173.96 2qpo n GLU 159 N 0.34 0.00 -1.45 1.61 2.13 -1.26 -5.11 120.64 116.90 2qpo n GLU 159 Ca -0.14 0.00 -0.51 0.00 0.66 0.00 0.00 57.16 57.17 2qpo n GLU 159 Cb 0.58 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.24 2qpo n GLU 159 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2qpo n GLU 167 N 0.00 0.13 -4.16 5.31 -0.58 -1.26 -5.31 120.64 114.76 2qpo n GLU 167 Ca 0.00 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 2qpo n GLU 167 Cb 0.00 -1.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 2qpo n GLU 167 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2qpo s LYS 168 N -0.69 0.84 -0.15 3.49 -2.85 0.15 -4.63 119.74 115.91 2qpo s LYS 168 Ca 0.72 -1.35 -0.05 0.00 -1.00 0.00 0.00 55.97 54.29 2qpo s LYS 168 Cb -1.02 -0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 34.61 2qpo s LYS 168 CO 0.56 -0.07 0.04 0.71 0.10 0.00 0.00 175.35 176.69 2qpo s TYR 169 N -3.72 3.24 0.10 1.78 1.51 -1.26 -0.04 117.35 118.96 2qpo s TYR 169 Ca 0.14 0.11 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 2qpo s TYR 169 Cb 0.06 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2qpo s TYR 169 CO -0.04 0.28 -0.13 0.96 -1.11 0.00 0.00 175.55 175.51 2qpo s ILE 170 N -0.13 1.19 -0.15 2.71 -4.36 0.04 -4.97 121.20 115.53 2qpo s ILE 170 Ca 0.06 -1.60 -0.12 0.00 -0.26 0.00 0.00 60.65 58.73 2qpo s ILE 170 Cb -0.12 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2qpo s ILE 170 CO 0.01 -0.40 0.25 0.00 0.24 0.00 0.00 174.94 175.05 2qpo s ALA 171 N -2.00 3.65 0.05 2.27 0.00 -1.26 -0.36 121.76 124.11 2qpo s ALA 171 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2qpo s ALA 171 Cb -0.06 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2qpo s ALA 171 CO 0.02 0.20 -0.05 0.14 0.00 0.00 0.00 175.76 176.07 2qpo s VAL 172 N 0.14 0.36 0.92 0.00 -7.23 -0.28 -0.45 120.40 113.85 2qpo s VAL 172 Ca 0.15 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 2qpo s VAL 172 Cb -0.13 -1.12 0.14 0.00 0.56 0.00 0.00 36.38 35.84 2qpo s VAL 172 CO 0.04 -0.75 1.14 0.00 -0.31 0.00 0.00 175.10 175.21 2qpo h ARG 174 N -1.54 0.22 -0.70 0.00 2.43 -1.97 0.79 114.38 113.62 2qpo h ARG 174 Ca -0.51 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.77 2qpo h ARG 174 Cb 1.33 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.74 2qpo h ARG 174 CO 0.61 0.33 0.14 -0.44 -1.51 0.00 0.00 179.97 179.10 2qpo h ASP 175 N 0.07 -0.04 0.41 -3.80 3.32 -1.98 -1.04 116.42 113.36 2qpo h ASP 175 Ca 0.05 0.14 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 2qpo h ASP 175 Cb 0.19 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2qpo h ASP 175 CO -0.00 -0.04 -0.85 0.00 -1.72 0.00 0.00 179.24 176.63 2qpo h TYR 177 N 0.19 0.16 -0.05 0.00 3.20 -0.48 0.27 116.97 120.26 2qpo h TYR 177 Ca -0.05 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2qpo h TYR 177 Cb 1.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2qpo h TYR 177 CO 0.04 0.00 -0.39 -0.91 -1.64 0.00 0.00 178.16 175.26 2qpo h ASN 178 N 0.24 0.11 -0.06 -2.11 2.35 -1.09 0.17 115.58 115.18 2qpo h ASN 178 Ca 0.24 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2qpo h ASN 178 Cb 0.31 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2qpo h ASN 178 CO -0.31 0.50 -0.10 0.74 -1.65 0.00 0.00 177.43 176.60 2qpo h THR 179 N 0.09 1.41 0.00 2.81 2.02 -1.11 -3.36 112.91 114.77 2qpo h THR 179 Ca 0.01 -1.38 -0.15 0.00 0.77 0.00 0.00 66.41 65.65 2qpo h THR 179 Cb 0.74 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2qpo h THR 179 CO 0.06 0.38 -0.94 -0.07 0.37 0.00 0.00 175.52 175.32 2qpo h LEU 180 N -0.30 0.00 -0.46 2.58 3.38 -0.82 -3.51 115.31 116.17 2qpo h LEU 180 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qpo h LEU 180 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2qpo h LEU 180 CO 0.02 0.65 0.00 2.29 0.09 0.00 0.00 178.44 181.49