#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq0 s GLY 3 N 0.00 1.87 0.09 5.00 0.00 -0.54 -4.84 107.32 108.89 2qq0 s GLY 3 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 44.72 44.91 2qq0 s GLY 3 CO 0.00 0.40 -0.17 0.54 0.00 0.00 0.00 173.10 173.87 2qq0 s LYS 4 N -4.62 1.93 -0.18 2.90 -0.14 -1.26 -4.80 119.74 113.56 2qq0 s LYS 4 Ca 0.58 -1.09 -0.05 0.00 -1.36 0.00 0.00 55.97 54.06 2qq0 s LYS 4 Cb -0.12 -2.17 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2qq0 s LYS 4 CO 0.44 0.50 -0.01 -1.17 -0.76 0.00 0.00 175.35 174.36 2qq0 s LEU 5 N -1.92 3.30 -0.15 3.17 2.96 -1.26 -1.03 118.68 123.74 2qq0 s LEU 5 Ca 0.17 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2qq0 s LEU 5 Cb -0.11 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 2qq0 s LEU 5 CO 0.09 0.11 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.20 2qq0 s THR 6 N 0.73 2.78 -0.15 3.68 2.01 -0.18 -0.59 115.64 123.92 2qq0 s THR 6 Ca -0.00 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 2qq0 s THR 6 Cb -0.14 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2qq0 s THR 6 CO 0.02 0.51 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 2qq0 s VAL 7 N 0.75 3.35 -0.25 3.82 1.01 -0.34 -1.14 120.40 127.61 2qq0 s VAL 7 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2qq0 s VAL 7 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2qq0 s VAL 7 CO 0.01 0.50 -0.03 -0.63 0.00 0.00 0.00 175.10 174.95 2qq0 s ILE 8 N 0.53 3.27 0.23 2.22 1.01 0.58 -0.71 121.20 128.34 2qq0 s ILE 8 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2qq0 s ILE 8 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2qq0 s ILE 8 CO 0.03 0.25 0.17 0.28 0.00 0.00 0.00 174.94 175.68 2qq0 s THR 9 N 1.41 0.00 -5.00 2.92 -1.32 -0.12 -1.66 115.64 111.87 2qq0 s THR 9 Ca 0.03 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 2qq0 s THR 9 Cb -0.16 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2qq0 s THR 9 CO -0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 2qq0 n GLY 10 N -0.36 -0.01 3.88 6.08 0.00 -1.25 0.16 105.19 113.70 2qq0 n GLY 10 Ca 0.03 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2qq0 n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qq0 s PRO 11 N -1.55 0.24 0.63 1.61 0.04 -1.26 -3.92 135.00 130.79 2qq0 s PRO 11 Ca 0.00 -0.41 -0.19 0.00 0.04 0.00 0.00 61.00 60.44 2qq0 s PRO 11 Cb 0.00 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2qq0 s PRO 11 CO 0.00 -2.68 1.30 -1.33 0.04 0.00 0.00 177.00 174.33 2qq0 n MET 12 N -3.96 1.22 -1.22 4.56 2.81 -1.26 -2.96 117.12 116.31 2qq0 n MET 12 Ca 0.16 0.47 -0.08 0.00 -1.81 0.00 0.00 57.70 56.44 2qq0 n MET 12 Cb 0.59 -2.54 -0.03 0.00 -0.71 0.00 0.00 33.22 30.54 2qq0 n MET 12 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2qq0 n TYR 13 N -1.75 0.00 1.47 2.03 4.01 -1.26 -4.65 117.16 117.01 2qq0 n TYR 13 Ca 0.15 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.03 2qq0 n TYR 13 Cb 0.47 -1.69 0.51 0.00 -0.31 0.00 0.00 39.34 38.32 2qq0 n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qq0 n SER 14 N 0.18 1.52 0.00 7.72 3.41 -1.15 -4.62 113.62 120.68 2qq0 n SER 14 Ca -0.08 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2qq0 n SER 14 Cb 0.31 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2qq0 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qq0 n GLY 15 N 1.17 0.88 0.09 5.00 0.00 -1.26 -4.34 105.19 106.73 2qq0 n GLY 15 Ca 0.19 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2qq0 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qq0 h LYS 16 N 0.00 0.17 -0.62 1.61 1.57 -1.91 -1.07 116.57 116.32 2qq0 h LYS 16 Ca 0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2qq0 h LYS 16 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2qq0 h LYS 16 CO 0.00 0.48 0.02 1.15 -0.57 0.00 0.00 179.45 180.53 2qq0 h THR 17 N -0.16 1.27 -0.63 -0.16 2.02 -1.96 -0.94 112.91 112.36 2qq0 h THR 17 Ca 0.02 -1.13 0.06 0.00 0.77 0.00 0.00 66.41 66.13 2qq0 h THR 17 Cb 0.42 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 2qq0 h THR 17 CO 0.01 0.42 0.34 0.74 0.37 0.00 0.00 175.52 177.39 2qq0 h THR 18 N 0.99 0.95 -0.50 3.16 2.02 -1.95 0.79 112.91 118.37 2qq0 h THR 18 Ca 0.18 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2qq0 h THR 18 Cb 0.54 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2qq0 h THR 18 CO 0.03 0.11 -0.01 -0.08 0.37 0.00 0.00 175.52 175.95 2qq0 h GLU 19 N 0.63 0.89 -0.38 6.66 4.81 -0.86 -1.37 114.58 124.96 2qq0 h GLU 19 Ca 0.28 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2qq0 h GLU 19 Cb 0.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2qq0 h GLU 19 CO -0.18 0.92 0.21 1.25 -0.73 0.00 0.00 179.01 180.48 2qq0 h LEU 20 N 0.75 0.34 -1.32 1.64 5.85 -0.56 -2.19 115.31 119.81 2qq0 h LEU 20 Ca 0.14 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2qq0 h LEU 20 Cb 0.52 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2qq0 h LEU 20 CO 0.03 0.24 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.12 2qq0 h LEU 21 N 0.43 0.23 -0.65 2.25 3.38 -0.68 -1.42 115.31 118.86 2qq0 h LEU 21 Ca 0.15 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2qq0 h LEU 21 Cb 0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2qq0 h LEU 21 CO -0.08 0.43 0.35 0.28 0.09 0.00 0.00 178.44 179.50 2qq0 h SER 22 N 0.22 0.51 0.23 -0.43 0.02 -0.66 -0.56 113.55 112.89 2qq0 h SER 22 Ca 0.04 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 2qq0 h SER 22 Cb 0.45 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2qq0 h SER 22 CO 0.03 0.33 -0.60 -0.26 -1.14 0.00 0.00 176.83 175.19 2qq0 h PHE 23 N 0.65 0.47 -0.37 3.45 0.04 -0.90 -2.01 116.94 118.27 2qq0 h PHE 23 Ca 0.29 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.92 2qq0 h PHE 23 Cb 0.20 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2qq0 h PHE 23 CO -0.09 0.87 0.17 0.28 -0.60 0.00 0.00 178.31 178.94 2qq0 h VAL 24 N 0.28 0.95 -0.60 -0.55 2.07 -0.69 -2.37 116.25 115.32 2qq0 h VAL 24 Ca -0.00 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2qq0 h VAL 24 Cb 1.12 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2qq0 h VAL 24 CO 0.10 0.06 0.34 -0.08 0.02 0.00 0.00 177.57 178.02 2qq0 h GLU 25 N 0.34 0.64 -0.61 1.57 4.81 -0.82 -1.12 114.58 119.40 2qq0 h GLU 25 Ca 0.16 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2qq0 h GLU 25 Cb 0.09 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 2qq0 h GLU 25 CO -0.13 0.42 0.29 0.82 -0.73 0.00 0.00 179.01 179.68 2qq0 h ILE 26 N 0.66 0.87 -0.35 2.32 2.04 -1.05 0.24 117.51 122.25 2qq0 h ILE 26 Ca 0.26 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2qq0 h ILE 26 Cb 0.10 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2qq0 h ILE 26 CO -0.14 0.09 -0.23 1.88 0.00 0.00 0.00 178.15 179.75 2qq0 h TYR 27 N 0.52 0.90 -0.92 1.37 -1.99 -0.87 -2.63 116.97 113.35 2qq0 h TYR 27 Ca 0.29 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 2qq0 h TYR 27 Cb 0.27 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 2qq0 h TYR 27 CO -0.12 0.99 0.52 0.87 -0.00 0.00 0.00 178.16 180.42 2qq0 h LYS 28 N 0.55 1.27 0.00 4.88 1.57 -0.81 -1.38 116.57 122.65 2qq0 h LYS 28 Ca 0.07 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2qq0 h LYS 28 Cb 0.79 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2qq0 h LYS 28 CO 0.06 0.92 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.55 2qq0 h LEU 29 N 1.28 0.00 -0.36 2.94 3.38 -0.32 -1.60 115.31 120.63 2qq0 h LEU 29 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2qq0 h LEU 29 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qq0 h LEU 29 CO -0.05 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2qq0 n GLY 30 N -0.80 -0.57 3.84 0.83 0.00 -0.88 -4.91 105.19 102.71 2qq0 n GLY 30 Ca -0.02 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2qq0 n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qq0 n LYS 31 N -0.36 -5.75 -4.11 1.61 4.76 -0.60 -4.99 118.16 108.71 2qq0 n LYS 31 Ca 0.11 0.63 -0.35 0.00 -2.87 0.00 0.00 58.31 55.83 2qq0 n LYS 31 Cb 0.13 -5.50 -0.09 0.00 -1.84 0.00 0.00 35.03 27.74 2qq0 n LYS 31 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qq0 s LYS 32 N -6.49 3.43 0.25 1.97 1.02 -0.57 -5.04 119.74 114.31 2qq0 s LYS 32 Ca 0.56 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 2qq0 s LYS 32 Cb -0.27 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.90 2qq0 s LYS 32 CO 0.82 0.59 1.14 0.21 -0.92 0.00 0.00 175.35 177.19 2qq0 s LYS 33 N -0.54 4.58 0.19 1.68 2.20 -1.26 -4.19 119.74 122.40 2qq0 s LYS 33 Ca 0.10 1.85 0.09 0.00 -0.36 0.00 0.00 55.97 57.65 2qq0 s LYS 33 Cb -0.12 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2qq0 s LYS 33 CO 0.02 0.10 -0.17 0.14 -0.36 0.00 0.00 175.35 175.07 2qq0 s VAL 34 N -0.82 1.86 -0.05 4.02 -7.23 -1.26 -0.68 120.40 116.25 2qq0 s VAL 34 Ca 0.47 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2qq0 s VAL 34 Cb -0.33 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.69 2qq0 s VAL 34 CO 0.40 -0.39 -0.07 0.00 -0.31 0.00 0.00 175.10 174.73 2qq0 s ALA 35 N -2.32 0.88 -0.07 1.32 0.00 -0.35 -4.98 121.76 116.23 2qq0 s ALA 35 Ca 0.19 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2qq0 s ALA 35 Cb -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2qq0 s ALA 35 CO 0.07 0.03 -0.20 0.08 0.00 0.00 0.00 175.76 175.75 2qq0 s VAL 36 N 0.83 1.68 0.07 0.00 1.01 -1.26 -0.63 120.40 122.09 2qq0 s VAL 36 Ca -0.12 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2qq0 s VAL 36 Cb -0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2qq0 s VAL 36 CO 0.01 0.48 -0.13 -0.36 0.00 0.00 0.00 175.10 175.10 2qq0 s PHE 37 N 0.28 1.14 0.03 5.22 0.08 0.37 -0.65 117.98 124.45 2qq0 s PHE 37 Ca -0.12 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 56.39 2qq0 s PHE 37 Cb -0.15 -0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2qq0 s PHE 37 CO 0.05 0.04 0.10 -1.59 -0.10 0.00 0.00 175.22 173.72 2qq0 s LYS 38 N -1.78 0.54 0.46 0.44 -2.85 -0.48 -1.56 119.74 114.50 2qq0 s LYS 38 Ca -0.03 -0.63 -0.21 0.00 -1.00 0.00 0.00 55.97 54.10 2qq0 s LYS 38 Cb -0.10 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 2qq0 s LYS 38 CO 0.02 -0.13 1.03 -1.25 0.10 0.00 0.00 175.35 175.12 2qq0 s PRO 39 N -2.14 3.94 -0.15 1.78 0.04 -1.26 -1.37 135.00 135.84 2qq0 s PRO 39 Ca -0.09 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 2qq0 s PRO 39 Cb -0.04 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2qq0 s PRO 39 CO -0.02 -0.31 1.33 0.21 0.04 0.00 0.00 177.00 178.25 2qq0 s LYS 40 N -3.05 4.21 0.00 4.56 2.20 -0.26 -4.73 119.74 122.68 2qq0 s LYS 40 Ca 0.64 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2qq0 s LYS 40 Cb -0.17 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2qq0 s LYS 40 CO 0.21 -0.74 0.00 0.45 -0.36 0.00 0.00 175.35 174.90 2qq0 n SER 47 N 6.73 0.00 0.05 1.43 2.88 -1.26 -4.97 113.62 118.48 2qq0 n SER 47 Ca 0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.59 2qq0 n SER 47 Cb 0.45 -0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.66 2qq0 n SER 47 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qq0 h THR 48 N 0.00 1.44 -2.79 2.46 2.02 -1.98 -3.46 112.91 110.59 2qq0 h THR 48 Ca 0.00 -3.15 -0.55 0.00 0.77 0.00 0.00 66.41 63.48 2qq0 h THR 48 Cb 0.00 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2qq0 h THR 48 CO 0.00 0.85 0.94 -0.04 0.37 0.00 0.00 175.52 177.63 2qq0 s MET 49 N -2.67 4.24 -0.37 6.66 -1.94 -1.26 -2.31 119.30 121.64 2qq0 s MET 49 Ca -0.02 2.04 -0.26 0.00 -1.71 0.00 0.00 55.69 55.74 2qq0 s MET 49 Cb 0.09 -3.72 0.02 0.00 2.01 0.00 0.00 34.83 33.23 2qq0 s MET 49 CO 0.83 -0.69 0.95 0.42 -0.01 0.00 0.00 175.02 176.52 2qq0 s ILE 50 N 3.04 4.56 -0.01 2.53 1.01 0.11 -4.95 121.20 127.48 2qq0 s ILE 50 Ca 0.67 1.22 0.03 0.00 0.00 0.00 0.00 60.65 62.57 2qq0 s ILE 50 Cb -0.32 -4.36 -0.01 0.00 0.01 0.00 0.00 42.46 37.79 2qq0 s ILE 50 CO 0.27 -0.56 -0.11 -0.69 0.00 0.00 0.00 174.94 173.85 2qq0 s VAL 51 N 3.54 0.85 0.59 2.92 1.01 -1.26 -0.97 120.40 127.07 2qq0 s VAL 51 Ca 0.39 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2qq0 s VAL 51 Cb -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2qq0 s VAL 51 CO 0.19 0.24 0.90 -0.94 0.00 0.00 0.00 175.10 175.50 2qq0 s SER 52 N -0.17 5.66 0.00 3.32 1.04 -1.26 -5.04 113.70 117.25 2qq0 s SER 52 Ca 0.03 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2qq0 s SER 52 Cb -0.05 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2qq0 s SER 52 CO -0.00 -1.03 0.34 1.41 0.98 0.00 0.00 173.24 174.94 2qq0 n HIS 53 N -2.57 0.00 0.00 5.02 8.25 -1.26 -5.09 115.22 119.56 2qq0 n HIS 53 Ca 0.04 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2qq0 n HIS 53 Cb 0.57 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2qq0 n HIS 53 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2qq0 n VAL 58 N 0.80 0.00 -1.99 1.59 3.14 -0.15 -5.19 118.33 116.54 2qq0 n VAL 58 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 2qq0 n VAL 58 Cb 0.17 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.93 2qq0 n VAL 58 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2qq0 s GLU 59 N -3.75 4.26 0.09 1.45 -1.05 -1.26 -0.72 118.70 117.71 2qq0 s GLU 59 Ca 0.00 2.33 0.05 0.00 -0.15 0.00 0.00 54.97 57.20 2qq0 s GLU 59 Cb 0.00 -3.08 -0.03 0.00 -0.44 0.00 0.00 34.13 30.57 2qq0 s GLU 59 CO 0.00 -0.41 -0.13 0.00 0.95 0.00 0.00 175.26 175.67 2qq0 s ALA 60 N -0.28 1.17 -0.07 -0.84 0.00 -0.98 -4.79 121.76 115.97 2qq0 s ALA 60 Ca 0.57 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2qq0 s ALA 60 Cb -0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2qq0 s ALA 60 CO 0.47 0.09 1.16 -1.01 0.00 0.00 0.00 175.76 176.47 2qq0 s HIS 61 N -1.74 3.24 -0.29 0.00 3.76 0.18 -4.82 115.29 115.61 2qq0 s HIS 61 Ca 0.01 1.28 -0.15 0.00 -0.15 0.00 0.00 55.06 56.06 2qq0 s HIS 61 Cb -0.07 -3.38 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 2qq0 s HIS 61 CO 0.02 -1.11 0.35 0.08 -0.85 0.00 0.00 174.74 173.23 2qq0 s VAL 62 N 2.26 5.18 0.09 -0.90 1.01 -1.26 -1.39 120.40 125.39 2qq0 s VAL 62 Ca 0.54 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2qq0 s VAL 62 Cb -0.23 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2qq0 s VAL 62 CO 0.20 0.09 -0.09 0.27 0.00 0.00 0.00 175.10 175.57 2qq0 s ILE 63 N 2.03 0.82 -0.14 2.22 -4.36 -0.47 -4.83 121.20 116.46 2qq0 s ILE 63 Ca 0.13 -1.57 -0.10 0.00 -0.26 0.00 0.00 60.65 58.86 2qq0 s ILE 63 Cb -0.16 -1.26 -0.25 0.00 1.25 0.00 0.00 42.46 42.04 2qq0 s ILE 63 CO 0.11 -0.57 0.33 -0.62 0.24 0.00 0.00 174.94 174.43 2qq0 n GLU 64 N 0.65 0.72 -4.69 0.37 1.02 -1.26 -1.10 120.64 116.35 2qq0 n GLU 64 Ca -0.17 0.32 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 2qq0 n GLU 64 Cb 0.58 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 2qq0 n GLU 64 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qq0 s ARG 65 N -2.52 1.44 0.41 3.49 1.81 -1.26 -4.77 118.95 117.55 2qq0 s ARG 65 Ca -0.24 -0.95 0.13 0.00 -1.72 0.00 0.00 55.73 52.95 2qq0 s ARG 65 Cb 0.07 -1.55 0.97 0.00 -0.45 0.00 0.00 34.95 33.98 2qq0 s ARG 65 CO 0.73 0.40 1.94 -1.35 -0.68 0.00 0.00 175.30 176.35 2qq0 h PRO 66 N 4.90 0.48 -0.01 3.54 0.11 -1.93 -0.78 132.00 138.32 2qq0 h PRO 66 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qq0 h PRO 66 Cb 1.16 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qq0 h PRO 66 CO 0.44 0.32 0.03 0.93 -0.21 0.00 0.00 178.00 179.51 2qq0 h GLU 67 N 0.50 0.00 0.00 1.05 3.07 -1.96 -1.89 114.58 115.35 2qq0 h GLU 67 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2qq0 h GLU 67 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2qq0 h GLU 67 CO -0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.89 2qq0 n GLU 68 N -3.22 0.17 0.03 2.33 1.02 -0.30 -3.47 120.64 117.20 2qq0 n GLU 68 Ca -0.03 0.30 -0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2qq0 n GLU 68 Cb 0.10 -1.76 0.30 0.00 -0.02 0.00 0.00 31.44 30.05 2qq0 n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2qq0 h MET 69 N 0.00 0.44 -1.00 3.49 2.86 -1.50 -3.20 114.93 116.03 2qq0 h MET 69 Ca 0.00 -0.11 0.16 0.00 -2.06 0.00 0.00 59.70 57.68 2qq0 h MET 69 Cb 0.46 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.97 2qq0 h MET 69 CO 0.00 0.54 0.62 0.00 1.06 0.00 0.00 176.91 179.13 2qq0 h ARG 70 N 0.42 0.85 -0.82 1.72 3.08 -1.78 -0.97 114.38 116.89 2qq0 h ARG 70 Ca 0.08 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.25 2qq0 h ARG 70 Cb 0.42 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 2qq0 h ARG 70 CO 0.02 0.56 0.54 0.87 -1.07 0.00 0.00 179.97 180.90 2qq0 h LYS 71 N 0.88 0.40 -0.03 0.04 1.57 -1.82 -2.73 116.57 114.89 2qq0 h LYS 71 Ca 0.54 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2qq0 h LYS 71 Cb 0.70 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2qq0 h LYS 71 CO -0.32 0.27 -0.11 0.66 -0.57 0.00 0.00 179.45 179.38 2qq0 n TYR 72 N -4.49 0.00 -3.21 -1.35 4.01 -0.38 -4.84 117.16 106.91 2qq0 n TYR 72 Ca 0.16 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.47 2qq0 n TYR 72 Cb 0.60 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 2qq0 n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qq0 s ILE 73 N -2.11 4.95 0.59 -0.72 -1.09 -1.03 -4.90 121.20 116.89 2qq0 s ILE 73 Ca 0.26 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2qq0 s ILE 73 Cb 0.20 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2qq0 s ILE 73 CO 0.36 -0.54 0.84 -0.70 -1.23 0.00 0.00 174.94 173.67 2qq0 s GLU 74 N 2.50 2.40 0.49 2.79 2.56 -1.26 -4.97 118.70 123.21 2qq0 s GLU 74 Ca 0.17 -0.71 0.15 0.00 0.00 0.00 0.00 54.97 54.58 2qq0 s GLU 74 Cb -0.16 -2.41 1.18 0.00 2.00 0.00 0.00 34.13 34.74 2qq0 s GLU 74 CO 0.16 -0.87 2.11 0.93 -0.56 0.00 0.00 175.26 177.02 2qq0 h GLU 75 N -0.11 0.14 -0.41 4.30 5.08 -2.00 -2.06 114.58 119.52 2qq0 h GLU 75 Ca -0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2qq0 h GLU 75 Cb 1.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qq0 h GLU 75 CO 0.53 0.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 2qq0 n ASP 76 N -4.51 4.32 -4.71 1.42 5.75 -1.26 -4.96 116.55 112.60 2qq0 n ASP 76 Ca 0.00 -2.75 -0.42 0.00 -0.01 0.00 0.00 54.79 51.62 2qq0 n ASP 76 Cb 0.15 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 2qq0 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qq0 s THR 77 N -2.36 2.31 -0.16 2.12 2.01 -0.78 -4.22 115.64 114.55 2qq0 s THR 77 Ca 0.44 0.10 0.14 0.00 0.31 0.00 0.00 61.69 62.68 2qq0 s THR 77 Cb 0.32 -3.07 -0.20 0.00 0.01 0.00 0.00 72.50 69.57 2qq0 s THR 77 CO 0.14 0.00 0.04 0.54 -0.69 0.00 0.00 174.62 174.66 2qq0 n ARG 78 N 4.61 1.33 -3.90 4.92 5.12 0.15 -4.80 116.66 124.09 2qq0 n ARG 78 Ca 0.16 -0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.95 2qq0 n ARG 78 Cb 0.37 -1.41 -0.14 0.00 -1.16 0.00 0.00 32.46 30.11 2qq0 n ARG 78 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qq0 s GLY 79 N -5.02 0.05 -0.10 -0.13 0.00 -1.11 -1.85 107.32 99.16 2qq0 s GLY 79 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.67 2qq0 s GLY 79 CO 0.65 0.08 -0.19 0.14 0.00 0.00 0.00 173.10 173.78 2qq0 s VAL 80 N 0.15 2.55 -0.09 1.40 1.01 0.04 -1.21 120.40 124.24 2qq0 s VAL 80 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2qq0 s VAL 80 Cb -0.02 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2qq0 s VAL 80 CO -0.00 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.14 2qq0 s PHE 81 N 0.18 1.84 -0.09 5.22 0.08 0.19 -0.76 117.98 124.65 2qq0 s PHE 81 Ca -0.11 -0.81 -0.01 0.00 0.12 0.00 0.00 56.93 56.13 2qq0 s PHE 81 Cb -0.16 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2qq0 s PHE 81 CO 0.06 -0.41 -0.04 0.42 -0.10 0.00 0.00 175.22 175.15 2qq0 s ILE 82 N 0.86 0.70 0.23 0.64 1.01 0.37 -0.47 121.20 124.54 2qq0 s ILE 82 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.50 2qq0 s ILE 82 Cb -0.15 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2qq0 s ILE 82 CO 0.01 0.31 0.35 -0.62 0.00 0.00 0.00 174.94 174.98 2qq0 s ASP 83 N 1.71 6.31 -1.39 3.58 2.15 -0.60 -0.84 116.67 127.58 2qq0 s ASP 83 Ca 0.03 0.08 -0.07 0.00 0.43 0.00 0.00 52.55 53.02 2qq0 s ASP 83 Cb -0.13 -1.86 0.03 0.00 -0.30 0.00 0.00 42.92 40.67 2qq0 s ASP 83 CO -0.06 -0.05 0.91 -0.62 -0.17 0.00 0.00 175.17 175.18 2qq0 n GLU 84 N -1.29 -5.78 0.32 4.34 -0.58 -0.24 -4.26 120.64 113.15 2qq0 n GLU 84 Ca -0.09 0.67 0.21 0.00 -0.42 0.00 0.00 57.16 57.53 2qq0 n GLU 84 Cb 0.57 -5.47 1.08 0.00 -0.57 0.00 0.00 31.44 27.04 2qq0 n GLU 84 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2qq0 h VAL 85 N -2.08 0.05 0.00 2.62 -1.51 -1.54 -1.63 116.25 112.16 2qq0 h VAL 85 Ca -0.59 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2qq0 h VAL 85 Cb 1.36 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2qq0 h VAL 85 CO 0.60 0.01 -0.00 0.06 -1.23 0.00 0.00 177.57 177.00 2qq0 h GLN 86 N 0.00 0.00 -0.01 5.19 -0.00 -1.83 -1.80 115.11 116.66 2qq0 h GLN 86 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qq0 h GLN 86 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 2qq0 h GLN 86 CO 0.00 0.00 -0.32 1.19 -0.00 0.00 0.00 178.83 179.70 2qq0 n PHE 87 N -3.31 0.00 -3.09 0.06 3.72 -0.61 -4.73 117.46 109.50 2qq0 n PHE 87 Ca -0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 2qq0 n PHE 87 Cb 0.09 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 2qq0 n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qq0 s PHE 88 N -2.49 3.42 0.48 1.38 0.08 -0.68 -5.03 117.98 115.14 2qq0 s PHE 88 Ca 0.23 1.08 -0.24 0.00 0.12 0.00 0.00 56.93 58.11 2qq0 s PHE 88 Cb 0.19 -2.44 -0.08 0.00 -0.57 0.00 0.00 43.02 40.12 2qq0 s PHE 88 CO 0.53 0.05 1.34 -1.71 -0.10 0.00 0.00 175.22 175.34 2qq0 n ASN 89 N -0.70 2.80 0.07 1.36 2.85 -1.26 -4.70 115.26 115.68 2qq0 n ASN 89 Ca 0.02 1.06 0.04 0.00 -0.11 0.00 0.00 54.58 55.60 2qq0 n ASN 89 Cb 0.53 -1.56 0.23 0.00 1.24 0.00 0.00 39.78 40.23 2qq0 n ASN 89 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qq0 n PRO 90 N -0.39 0.06 0.26 1.20 -0.02 -1.26 -1.10 135.00 133.76 2qq0 n PRO 90 Ca 0.07 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 2qq0 n PRO 90 Cb 0.42 -1.75 0.86 0.00 -0.02 0.00 0.00 33.50 33.01 2qq0 n PRO 90 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qq0 h SER 91 N 0.00 0.00 -0.62 2.55 4.64 -2.01 -1.68 113.55 116.44 2qq0 h SER 91 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2qq0 h SER 91 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2qq0 h SER 91 CO 0.00 0.00 0.43 0.25 -0.87 0.00 0.00 176.83 176.64 2qq0 h LEU 92 N 0.00 0.16 0.09 5.97 5.85 -1.47 -2.46 115.31 123.45 2qq0 h LEU 92 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qq0 h LEU 92 Cb 0.20 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2qq0 h LEU 92 CO 0.00 0.09 -0.17 0.15 -0.34 0.00 0.00 178.44 178.17 2qq0 h PHE 93 N 0.17 -0.44 -0.06 1.25 3.57 -1.56 0.03 116.94 119.91 2qq0 h PHE 93 Ca 0.30 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.68 2qq0 h PHE 93 Cb 0.94 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2qq0 h PHE 93 CO -0.00 -0.25 -0.52 0.93 -2.23 0.00 0.00 178.31 176.24 2qq0 h GLU 94 N -0.32 0.16 -0.21 1.11 4.39 -1.67 -1.33 114.58 116.70 2qq0 h GLU 94 Ca 0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2qq0 h GLU 94 Cb 0.35 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2qq0 h GLU 94 CO -0.10 0.64 0.11 0.28 -1.16 0.00 0.00 179.01 178.77 2qq0 h VAL 95 N 0.12 1.12 -0.47 3.13 2.07 -1.21 -1.76 116.25 119.25 2qq0 h VAL 95 Ca 0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2qq0 h VAL 95 Cb 0.96 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2qq0 h VAL 95 CO 0.08 0.12 0.01 0.58 0.02 0.00 0.00 177.57 178.37 2qq0 h VAL 96 N 0.21 1.26 -0.66 2.57 2.07 -0.87 -2.23 116.25 118.60 2qq0 h VAL 96 Ca 0.07 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.63 2qq0 h VAL 96 Cb 0.09 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2qq0 h VAL 96 CO -0.01 0.36 0.32 0.50 0.02 0.00 0.00 177.57 178.77 2qq0 h LYS 97 N 0.69 0.55 -0.72 1.57 3.64 -1.12 -0.71 116.57 120.47 2qq0 h LYS 97 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2qq0 h LYS 97 Cb 0.49 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2qq0 h LYS 97 CO 0.02 0.37 0.39 0.22 -2.27 0.00 0.00 179.45 178.17 2qq0 h ASP 98 N 0.57 0.91 -0.42 4.20 3.58 -0.99 -1.17 116.42 123.11 2qq0 h ASP 98 Ca 0.32 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2qq0 h ASP 98 Cb 0.31 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2qq0 h ASP 98 CO -0.25 0.75 0.26 -0.07 -2.88 0.00 0.00 179.24 177.05 2qq0 h LEU 99 N 1.00 0.50 -1.04 2.28 3.38 -0.72 -2.12 115.31 118.59 2qq0 h LEU 99 Ca 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2qq0 h LEU 99 Cb 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2qq0 h LEU 99 CO -0.04 0.40 0.48 -0.07 0.09 0.00 0.00 178.44 179.30 2qq0 h LEU 100 N 0.55 1.02 -1.69 1.67 3.38 -0.83 -1.92 115.31 117.49 2qq0 h LEU 100 Ca 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2qq0 h LEU 100 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2qq0 h LEU 100 CO -0.03 0.80 -0.17 0.44 0.09 0.00 0.00 178.44 179.58 2qq0 h ASP 101 N 1.16 0.00 -0.07 -0.43 3.32 -0.67 -1.28 116.42 118.45 2qq0 h ASP 101 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2qq0 h ASP 101 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2qq0 h ASP 101 CO -0.05 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.17 2qq0 n ARG 102 N -4.28 1.37 -0.59 3.56 1.74 -0.79 -4.87 116.66 112.80 2qq0 n ARG 102 Ca -0.02 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 2qq0 n ARG 102 Cb 0.23 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2qq0 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qq0 n GLY 103 N 0.98 0.70 3.70 -0.13 0.00 -0.83 -4.91 105.19 104.70 2qq0 n GLY 103 Ca 0.16 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2qq0 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qq0 s ILE 104 N -2.00 5.25 0.30 -0.61 1.01 -0.82 -4.00 121.20 120.32 2qq0 s ILE 104 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.05 2qq0 s ILE 104 Cb 0.00 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 2qq0 s ILE 104 CO 0.00 0.33 1.04 -1.81 0.00 0.00 0.00 174.94 174.50 2qq0 s ASP 105 N 0.72 7.24 -0.05 3.58 1.01 -0.77 -3.82 116.67 124.59 2qq0 s ASP 105 Ca 0.19 2.12 0.05 0.00 0.71 0.00 0.00 52.55 55.62 2qq0 s ASP 105 Cb -0.14 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 2qq0 s ASP 105 CO 0.07 -0.15 -0.19 -0.69 0.21 0.00 0.00 175.17 174.42 2qq0 s VAL 106 N -1.30 1.55 -0.14 -1.27 1.01 -0.20 -0.78 120.40 119.26 2qq0 s VAL 106 Ca 0.47 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2qq0 s VAL 106 Cb -0.28 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2qq0 s VAL 106 CO 0.35 0.44 -0.18 -0.36 0.00 0.00 0.00 175.10 175.35 2qq0 s PHE 107 N 0.00 2.39 -0.07 5.22 0.08 0.06 -1.01 117.98 124.64 2qq0 s PHE 107 Ca -0.04 -1.25 0.04 0.00 0.12 0.00 0.00 56.93 55.81 2qq0 s PHE 107 Cb -0.12 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 2qq0 s PHE 107 CO 0.02 -0.61 -0.21 0.00 -0.10 0.00 0.00 175.22 174.32 2qq0 s ALA 109 N 0.24 2.48 -0.07 0.00 0.00 -0.02 -0.30 121.76 124.09 2qq0 s ALA 109 Ca -0.12 -0.99 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 2qq0 s ALA 109 Cb -0.16 -0.91 0.12 0.00 0.00 0.00 0.00 23.12 22.18 2qq0 s ALA 109 CO 0.06 0.45 1.17 0.20 0.00 0.00 0.00 175.76 177.64 2qq0 s GLY 110 N -0.34 -0.35 0.34 0.00 0.00 -0.67 -1.08 107.32 105.21 2qq0 s GLY 110 Ca 0.03 1.04 -0.28 0.00 0.00 0.00 0.00 44.72 45.52 2qq0 s GLY 110 CO 0.02 0.30 1.16 1.08 0.00 0.00 0.00 173.10 175.66 2qq0 s LEU 111 N -2.59 4.39 -0.02 0.66 1.43 -1.26 -3.89 118.68 117.40 2qq0 s LEU 111 Ca 0.11 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 55.52 2qq0 s LEU 111 Cb 0.01 -3.80 -0.28 0.00 0.03 0.00 0.00 46.19 42.15 2qq0 s LEU 111 CO -0.04 -0.41 0.78 -2.24 0.23 0.00 0.00 176.35 174.67 2qq0 h ASP 112 N 3.26 0.45 -4.28 2.29 3.04 -1.94 -3.43 116.42 115.81 2qq0 h ASP 112 Ca -0.48 -0.65 -0.41 0.00 -3.24 0.00 0.00 57.03 52.25 2qq0 h ASP 112 Cb 1.22 -0.15 -0.26 0.00 -1.04 0.00 0.00 39.33 39.11 2qq0 h ASP 112 CO 0.65 1.55 -0.78 -0.76 -2.04 0.00 0.00 179.24 177.86 2qq0 s LEU 113 N -7.05 2.13 1.08 0.15 1.43 -1.26 -1.53 118.68 113.64 2qq0 s LEU 113 Ca -0.11 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2qq0 s LEU 113 Cb 0.06 -0.51 0.23 0.00 0.03 0.00 0.00 46.19 46.01 2qq0 s LEU 113 CO 0.85 0.03 1.10 0.42 0.23 0.00 0.00 176.35 178.98 2qq0 s THR 114 N -0.69 1.86 -0.26 5.49 -4.23 0.51 -4.85 115.64 113.47 2qq0 s THR 114 Ca 0.01 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.75 2qq0 s THR 114 Cb -0.07 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.53 2qq0 s THR 114 CO 0.01 0.00 1.72 1.12 -0.54 0.00 0.00 174.62 176.92 2qq0 h HIS 115 N -2.18 0.00 -0.54 3.99 2.07 -1.89 0.11 115.15 116.71 2qq0 h HIS 115 Ca -0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.00 2qq0 h HIS 115 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 2qq0 h HIS 115 CO -0.59 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 175.90 2qq0 n LYS 116 N -2.31 2.51 -2.33 5.12 5.02 -1.26 -4.66 118.16 120.25 2qq0 n LYS 116 Ca -0.00 -2.32 -0.15 0.00 -2.02 0.00 0.00 58.31 53.82 2qq0 n LYS 116 Cb 0.11 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2qq0 n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qq0 n GLN 117 N 1.43 -1.40 -3.48 1.97 6.02 0.39 -5.02 117.38 117.30 2qq0 n GLN 117 Ca 0.21 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.60 2qq0 n GLN 117 Cb 0.57 -5.10 -0.05 0.00 1.02 0.00 0.00 30.24 26.68 2qq0 n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qq0 s ASN 118 N -2.34 6.69 0.35 1.08 0.02 -1.26 -4.83 114.94 114.66 2qq0 s ASN 118 Ca 0.02 0.90 -0.27 0.00 -1.02 0.00 0.00 52.86 52.48 2qq0 s ASN 118 Cb -0.01 -2.22 -0.09 0.00 0.02 0.00 0.00 41.25 38.95 2qq0 s ASN 118 CO 0.02 0.11 1.22 -2.16 0.02 0.00 0.00 177.10 176.30 2qq0 s PRO 119 N -2.09 4.28 -0.27 -0.60 0.04 -1.26 -0.36 135.00 134.74 2qq0 s PRO 119 Ca 0.37 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2qq0 s PRO 119 Cb -0.14 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.48 2qq0 s PRO 119 CO 0.19 -0.17 1.07 -0.06 0.04 0.00 0.00 177.00 178.06 2qq0 s PHE 120 N -1.25 3.23 0.14 0.56 0.08 -0.58 -4.80 117.98 115.36 2qq0 s PHE 120 Ca 0.51 1.33 -0.22 0.00 0.12 0.00 0.00 56.93 58.67 2qq0 s PHE 120 Cb -0.35 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 2qq0 s PHE 120 CO 0.45 -0.66 1.65 1.49 -0.10 0.00 0.00 175.22 178.05 2qq0 h GLU 121 N 7.78 -0.21 -0.78 0.44 4.81 -1.90 -0.90 114.58 123.82 2qq0 h GLU 121 Ca -0.20 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2qq0 h GLU 121 Cb 1.06 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2qq0 h GLU 121 CO 1.00 -0.14 0.40 1.15 -0.73 0.00 0.00 179.01 180.69 2qq0 h THR 122 N -0.22 1.24 -0.75 0.32 2.02 -1.84 -0.83 112.91 112.84 2qq0 h THR 122 Ca 0.11 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2qq0 h THR 122 Cb 0.39 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qq0 h THR 122 CO -0.30 0.28 0.30 0.74 0.37 0.00 0.00 175.52 176.91 2qq0 h THR 123 N 1.09 1.25 -0.57 3.16 2.02 -1.72 -1.63 112.91 116.51 2qq0 h THR 123 Ca 0.27 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2qq0 h THR 123 Cb 0.08 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2qq0 h THR 123 CO -0.04 0.33 0.35 0.00 0.37 0.00 0.00 175.52 176.52 2qq0 h ALA 124 N 1.15 0.73 -0.62 6.16 0.00 -0.59 0.64 119.26 126.73 2qq0 h ALA 124 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2qq0 h ALA 124 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qq0 h ALA 124 CO -0.02 0.21 0.19 -0.07 0.00 0.00 0.00 179.25 179.56 2qq0 h LEU 125 N 0.77 0.90 -0.88 0.00 3.38 -0.89 -2.39 115.31 116.21 2qq0 h LEU 125 Ca 0.21 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2qq0 h LEU 125 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2qq0 h LEU 125 CO -0.04 0.87 -0.44 -0.07 0.09 0.00 0.00 178.44 178.86 2qq0 h LEU 126 N 0.88 0.28 -1.43 1.67 3.38 -0.79 -2.17 115.31 117.14 2qq0 h LEU 126 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2qq0 h LEU 126 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2qq0 h LEU 126 CO -0.01 0.69 0.22 -0.07 0.09 0.00 0.00 178.44 179.36 2qq0 h LEU 127 N 0.22 0.54 -0.49 1.67 3.38 -0.54 -0.78 115.31 119.31 2qq0 h LEU 127 Ca 0.02 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2qq0 h LEU 127 Cb 0.86 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2qq0 h LEU 127 CO 0.07 0.46 -0.50 0.77 0.09 0.00 0.00 178.44 179.32 2qq0 h SER 128 N 0.61 0.73 1.98 -0.43 4.64 -0.90 -3.12 113.55 117.07 2qq0 h SER 128 Ca 0.16 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2qq0 h SER 128 Cb 0.05 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2qq0 h SER 128 CO -0.02 1.11 -0.02 0.25 -0.87 0.00 0.00 176.83 177.27 2qq0 h LEU 129 N 0.52 0.00 -9.97 5.97 5.85 -1.06 -3.48 115.31 113.14 2qq0 h LEU 129 Ca 0.02 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.19 2qq0 h LEU 129 Cb 1.06 0.00 0.13 0.00 0.37 0.00 0.00 40.66 42.21 2qq0 h LEU 129 CO 0.10 0.00 0.66 0.00 -0.34 0.00 0.00 178.44 178.87 2qq0 n ALA 130 N -2.10 1.89 0.08 1.25 0.00 -0.35 -4.84 120.51 116.44 2qq0 n ALA 130 Ca 0.04 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 2qq0 n ALA 130 Cb 0.53 -2.37 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 2qq0 n ALA 130 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qq0 h ASP 131 N 2.15 0.34 -3.61 0.00 3.32 -1.20 -3.46 116.42 113.95 2qq0 h ASP 131 Ca -0.50 -0.40 -0.29 0.00 0.02 0.00 0.00 57.03 55.85 2qq0 h ASP 131 Cb 1.28 -0.11 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 2qq0 h ASP 131 CO 0.60 1.32 -0.73 -0.89 -1.72 0.00 0.00 179.24 177.82 2qq0 s THR 132 N -2.65 0.07 -0.16 0.35 2.01 -0.99 -5.04 115.64 109.24 2qq0 s THR 132 Ca -0.05 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.04 2qq0 s THR 132 Cb 0.07 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.45 2qq0 s THR 132 CO 0.86 0.08 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.99 2qq0 s VAL 133 N 0.63 2.28 -0.36 3.82 1.01 -1.26 -1.20 120.40 125.32 2qq0 s VAL 133 Ca -0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2qq0 s VAL 133 Cb -0.08 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.40 2qq0 s VAL 133 CO -0.01 0.53 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 2qq0 s ILE 134 N 0.95 4.09 -0.28 2.22 1.01 0.11 -4.98 121.20 124.32 2qq0 s ILE 134 Ca -0.03 -1.07 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 2qq0 s ILE 134 Cb -0.15 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 2qq0 s ILE 134 CO -0.04 -0.23 0.62 -0.54 0.00 0.00 0.00 174.94 174.75 2qq0 s LYS 135 N 1.45 4.01 0.07 2.79 -0.14 -1.26 -0.94 119.74 125.72 2qq0 s LYS 135 Ca 0.00 0.41 -0.03 0.00 -1.36 0.00 0.00 55.97 54.99 2qq0 s LYS 135 Cb -0.20 -3.69 -0.05 0.00 -1.68 0.00 0.00 37.83 32.22 2qq0 s LYS 135 CO 0.04 -0.49 0.27 0.15 -0.76 0.00 0.00 175.35 174.57 2qq0 s LYS 136 N 2.54 3.52 0.32 1.68 -0.14 0.12 -4.96 119.74 122.83 2qq0 s LYS 136 Ca 0.25 -0.25 0.08 0.00 -1.36 0.00 0.00 55.97 54.70 2qq0 s LYS 136 Cb -0.15 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 2qq0 s LYS 136 CO 0.10 0.58 0.11 0.15 -0.76 0.00 0.00 175.35 175.53 2qq0 s LYS 137 N -2.36 2.37 0.41 1.68 1.02 -1.26 -4.21 119.74 117.39 2qq0 s LYS 137 Ca 0.35 -1.51 0.07 0.00 0.02 0.00 0.00 55.97 54.90 2qq0 s LYS 137 Cb -0.13 -2.18 -0.08 0.00 -0.52 0.00 0.00 37.83 34.93 2qq0 s LYS 137 CO 0.24 0.17 0.03 0.00 -0.92 0.00 0.00 175.35 174.87 2qq0 s ALA 138 N -2.40 3.24 0.00 5.17 0.00 -0.47 -4.48 121.76 122.82 2qq0 s ALA 138 Ca 0.36 -2.24 -0.30 0.00 0.00 0.00 0.00 51.96 49.78 2qq0 s ALA 138 Cb -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2qq0 s ALA 138 CO 0.22 -0.12 1.08 0.08 0.00 0.00 0.00 175.76 177.02 2qq0 s VAL 139 N -2.70 4.52 0.04 0.00 1.01 -1.26 -0.93 120.40 121.07 2qq0 s VAL 139 Ca 0.35 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.83 2qq0 s VAL 139 Cb 0.09 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2qq0 s VAL 139 CO 0.18 0.11 1.52 0.00 0.00 0.00 0.00 175.10 176.91 2qq0 h HIS 141 N 8.00 0.00 0.00 0.00 2.76 -1.39 0.20 115.15 124.72 2qq0 h HIS 141 Ca -0.40 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.63 2qq0 h HIS 141 Cb 1.19 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 2qq0 h HIS 141 CO 0.76 0.07 -0.95 -0.09 -1.30 0.00 0.00 177.93 176.42 2qq0 h ARG 142 N 0.00 0.00 -0.00 5.26 2.43 -1.90 -3.42 114.38 116.75 2qq0 h ARG 142 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qq0 h ARG 142 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2qq0 h ARG 142 CO 0.01 0.59 -0.94 0.00 -1.51 0.00 0.00 179.97 178.12 2qq0 n GLY 144 N 1.48 0.76 3.86 0.00 0.00 0.06 -4.99 105.19 106.36 2qq0 n GLY 144 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2qq0 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qq0 s GLU 145 N -0.16 3.80 -1.32 1.61 0.41 -1.26 -4.67 118.70 117.11 2qq0 s GLU 145 Ca 0.00 0.75 -0.10 0.00 -0.41 0.00 0.00 54.97 55.21 2qq0 s GLU 145 Cb 0.00 -2.20 0.14 0.00 -1.78 0.00 0.00 34.13 30.29 2qq0 s GLU 145 CO 0.00 -0.28 2.01 0.98 -0.49 0.00 0.00 175.26 177.48 2qq0 n TYR 146 N -1.83 2.95 -1.80 1.61 9.36 -1.26 -0.89 117.16 125.30 2qq0 n TYR 146 Ca 0.05 -2.82 0.00 0.00 3.32 0.00 0.00 57.90 58.45 2qq0 n TYR 146 Cb 0.54 -2.03 0.00 0.00 -0.63 0.00 0.00 39.34 37.22 2qq0 n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qq0 n ASN 147 N 3.90 0.00 -4.69 2.98 6.94 -1.13 -4.90 115.26 118.36 2qq0 n ASN 147 Ca 0.45 -1.54 -0.42 0.00 -0.02 0.00 0.00 54.58 53.05 2qq0 n ASN 147 Cb 0.35 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 2qq0 n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qq0 s ALA 148 N 0.00 3.41 0.00 -2.53 0.00 -0.11 -4.32 121.76 118.22 2qq0 s ALA 148 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2qq0 s ALA 148 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2qq0 s ALA 148 CO 0.00 -0.51 0.18 0.25 0.00 0.00 0.00 175.76 175.69 2qq0 n THR 149 N 4.44 0.00 -4.35 0.00 -2.24 -0.97 -1.37 114.28 109.79 2qq0 n THR 149 Ca 0.05 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 2qq0 n THR 149 Cb 0.49 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 2qq0 n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qq0 s LEU 150 N -1.16 2.48 -0.08 3.22 1.43 -0.60 -4.08 118.68 119.89 2qq0 s LEU 150 Ca 0.00 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2qq0 s LEU 150 Cb 0.00 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2qq0 s LEU 150 CO 0.00 -0.06 -0.06 -0.89 0.23 0.00 0.00 176.35 175.57 2qq0 s THR 151 N -2.34 3.78 -0.04 5.49 2.01 -1.26 -0.95 115.64 122.33 2qq0 s THR 151 Ca 0.19 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.82 2qq0 s THR 151 Cb -0.04 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2qq0 s THR 151 CO 0.07 0.58 -0.26 -0.22 -0.69 0.00 0.00 174.62 174.11 2qq0 s LEU 152 N -0.64 2.06 -0.19 4.42 2.96 0.34 -4.32 118.68 123.31 2qq0 s LEU 152 Ca 0.10 -0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 2qq0 s LEU 152 Cb -0.12 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2qq0 s LEU 152 CO 0.02 0.28 0.38 -0.75 -1.32 0.00 0.00 176.35 174.96 2qq0 s LYS 153 N -0.38 4.21 0.00 1.98 2.20 -1.26 -1.29 119.74 125.19 2qq0 s LYS 153 Ca 0.03 0.19 0.07 0.00 -0.36 0.00 0.00 55.97 55.89 2qq0 s LYS 153 Cb -0.12 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2qq0 s LYS 153 CO 0.01 0.04 0.39 1.33 -0.36 0.00 0.00 175.35 176.76 2qq0 n VAL 154 N 4.11 0.00 -3.69 4.02 0.24 0.83 -4.99 118.33 118.85 2qq0 n VAL 154 Ca -0.09 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.73 2qq0 n VAL 154 Cb 0.51 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 2qq0 n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qq0 s ALA 155 N -1.38 -1.07 0.00 2.33 0.00 -1.20 -5.00 121.76 115.44 2qq0 s ALA 155 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2qq0 s ALA 155 Cb 0.05 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2qq0 s ALA 155 CO 0.23 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2qq0 n GLY 156 N -0.35 -1.83 0.52 0.00 0.00 -1.26 -4.77 105.19 97.50 2qq0 n GLY 156 Ca -0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 2qq0 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qq0 n GLY 157 N 0.00 -0.01 0.01 -0.02 0.00 -1.26 -4.97 105.19 98.93 2qq0 n GLY 157 Ca 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.31 2qq0 n GLY 157 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qq0 n GLU 158 N -1.30 0.19 -1.51 1.61 2.13 -1.26 -4.95 120.64 115.55 2qq0 n GLU 158 Ca 0.02 -0.02 -0.47 0.00 0.66 0.00 0.00 57.16 57.36 2qq0 n GLU 158 Cb 0.08 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.26 2qq0 n GLU 158 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2qq0 n GLU 159 N -1.39 0.76 0.09 5.31 4.71 -1.26 -4.92 120.64 123.94 2qq0 n GLU 159 Ca 0.10 0.27 0.12 0.00 -0.01 0.00 0.00 57.16 57.63 2qq0 n GLU 159 Cb 0.30 -1.51 0.09 0.00 -1.01 0.00 0.00 31.44 29.31 2qq0 n GLU 159 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2qq0 h GLU 160 N 1.76 0.00 -4.63 3.49 5.08 -2.04 -3.42 114.58 114.83 2qq0 h GLU 160 Ca -0.36 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.30 2qq0 h GLU 160 Cb 1.38 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.34 2qq0 h GLU 160 CO 0.60 0.00 -0.58 0.42 -1.00 0.00 0.00 179.01 178.45 2qq0 s ILE 161 N -3.27 3.78 -0.29 3.13 -1.09 -1.26 -4.86 121.20 117.34 2qq0 s ILE 161 Ca 0.03 -1.25 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 2qq0 s ILE 161 Cb 0.11 -3.20 0.20 0.00 -1.58 0.00 0.00 42.46 37.98 2qq0 s ILE 161 CO 0.75 -0.27 0.70 -0.62 -1.23 0.00 0.00 174.94 174.27 2qq0 s ASP 162 N 1.55 -1.33 0.26 3.58 -1.08 -1.26 -5.14 116.67 113.24 2qq0 s ASP 162 Ca -0.00 0.22 -0.29 0.00 -0.52 0.00 0.00 52.55 51.96 2qq0 s ASP 162 Cb -0.20 1.87 -0.09 0.00 -1.46 0.00 0.00 42.92 43.04 2qq0 s ASP 162 CO 0.02 -0.24 1.22 -0.69 0.52 0.00 0.00 175.17 176.00 2qq0 s VAL 163 N 2.86 3.20 -2.87 1.11 1.01 -1.26 -4.94 120.40 119.51 2qq0 s VAL 163 Ca 0.14 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2qq0 s VAL 163 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2qq0 s VAL 163 CO -0.25 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2qq0 n GLY 164 N 1.48 -2.05 0.00 4.51 0.00 -1.26 -5.09 105.19 102.78 2qq0 n GLY 164 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2qq0 n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qq0 n GLY 165 N -0.50 4.89 0.32 -0.02 0.00 -1.26 -4.94 105.19 103.69 2qq0 n GLY 165 Ca 0.00 -0.80 0.21 0.00 0.00 0.00 0.00 46.02 45.43 2qq0 n GLY 165 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qq0 h GLN 166 N 0.00 0.00 0.00 1.61 -0.00 -2.03 -0.47 115.11 114.22 2qq0 h GLN 166 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qq0 h GLN 166 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2qq0 h GLN 166 CO 0.00 0.01 0.00 -0.85 -0.00 0.00 0.00 178.83 177.99 2qq0 n GLU 167 N -3.20 0.11 0.00 0.06 0.00 -1.26 -4.01 120.64 112.34 2qq0 n GLU 167 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.42 2qq0 n GLU 167 Cb 0.11 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 29.87 2qq0 n GLU 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qq0 n LYS 168 N -1.88 2.31 -4.26 3.44 5.02 -0.36 -4.44 118.16 118.00 2qq0 n LYS 168 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 2qq0 n LYS 168 Cb 0.25 -0.78 -0.14 0.00 -0.02 0.00 0.00 35.03 34.34 2qq0 n LYS 168 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2qq0 s TYR 169 N -1.48 0.77 0.17 2.13 2.02 -0.33 -0.12 117.35 120.52 2qq0 s TYR 169 Ca 0.00 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.55 2qq0 s TYR 169 Cb 0.00 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2qq0 s TYR 169 CO 0.00 -0.02 -0.18 0.96 -1.57 0.00 0.00 175.55 174.75 2qq0 s ILE 170 N -0.51 1.80 -0.09 2.71 -4.36 -0.42 -4.33 121.20 116.00 2qq0 s ILE 170 Ca 0.00 -1.96 -0.14 0.00 -0.26 0.00 0.00 60.65 58.30 2qq0 s ILE 170 Cb -0.05 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 2qq0 s ILE 170 CO 0.00 -0.36 0.33 0.00 0.24 0.00 0.00 174.94 175.15 2qq0 s ALA 171 N -2.18 3.66 0.03 2.27 0.00 -1.26 -0.50 121.76 123.78 2qq0 s ALA 171 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 2qq0 s ALA 171 Cb -0.05 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2qq0 s ALA 171 CO 0.07 0.31 -0.03 0.14 0.00 0.00 0.00 175.76 176.25 2qq0 s VAL 172 N -0.33 0.16 0.86 0.00 -7.23 -0.13 -0.95 120.40 112.79 2qq0 s VAL 172 Ca 0.20 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 2qq0 s VAL 172 Cb -0.14 -0.85 0.10 0.00 0.56 0.00 0.00 36.38 36.05 2qq0 s VAL 172 CO 0.08 -0.73 1.11 0.00 -0.31 0.00 0.00 175.10 175.25 2qq0 h ARG 174 N -1.31 0.75 -0.63 0.00 2.43 -1.97 -0.02 114.38 113.63 2qq0 h ARG 174 Ca -0.49 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 2qq0 h ARG 174 Cb 1.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2qq0 h ARG 174 CO 0.60 0.49 0.21 -0.44 -1.51 0.00 0.00 179.97 179.33 2qq0 h ASP 175 N 0.77 0.91 -0.03 -3.80 3.32 -1.96 -1.22 116.42 114.41 2qq0 h ASP 175 Ca 0.22 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 2qq0 h ASP 175 Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2qq0 h ASP 175 CO -0.06 0.86 -0.40 0.00 -1.72 0.00 0.00 179.24 177.92 2qq0 h TYR 177 N 0.45 0.40 -0.55 0.00 3.20 -0.67 -0.11 116.97 119.69 2qq0 h TYR 177 Ca 0.04 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2qq0 h TYR 177 Cb 0.89 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2qq0 h TYR 177 CO 0.03 0.35 0.02 -0.91 -1.64 0.00 0.00 178.16 176.01 2qq0 h ASN 178 N 0.33 0.94 -0.52 -2.11 2.35 -1.11 -1.09 115.58 114.36 2qq0 h ASN 178 Ca 0.10 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 2qq0 h ASN 178 Cb 0.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2qq0 h ASN 178 CO -0.01 1.00 0.24 0.74 -1.65 0.00 0.00 177.43 177.75 2qq0 h THR 179 N 0.84 1.20 -0.03 2.81 2.02 -0.99 -2.93 112.91 115.83 2qq0 h THR 179 Ca 0.16 -0.60 -0.16 0.00 0.77 0.00 0.00 66.41 66.58 2qq0 h THR 179 Cb 0.51 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2qq0 h THR 179 CO 0.02 0.23 -0.71 -0.07 0.37 0.00 0.00 175.52 175.37 2qq0 h LEU 180 N 0.70 0.18 0.00 2.58 3.38 -0.83 -3.51 115.31 117.81 2qq0 h LEU 180 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qq0 h LEU 180 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qq0 h LEU 180 CO -0.02 0.83 0.00 0.29 0.09 0.00 0.00 178.44 179.63