#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 n GLU 6 N 0.00 -1.34 0.00 -1.24 1.02 -1.26 -4.63 120.64 113.19 2qq4 n GLU 6 Ca 0.00 0.86 0.10 0.00 -0.02 0.00 0.00 57.16 58.10 2qq4 n GLU 6 Cb 0.00 -5.15 0.05 0.00 -0.02 0.00 0.00 31.44 26.33 2qq4 n GLU 6 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2qq4 n LEU 7 N -2.00 2.37 0.19 -4.62 -0.00 -1.26 -3.88 117.00 107.80 2qq4 n LEU 7 Ca -0.15 -0.91 0.14 0.00 -0.00 0.00 0.00 56.01 55.09 2qq4 n LEU 7 Cb 0.49 0.00 0.59 0.00 -0.00 0.00 0.00 43.42 44.50 2qq4 n LEU 7 CO 0.22 0.42 0.91 1.88 -0.00 0.00 0.00 177.39 180.82 2qq4 h TYR 8 N 3.28 0.00 -0.13 1.47 0.05 -1.97 -0.20 116.97 119.47 2qq4 h TYR 8 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2qq4 h TYR 8 Cb 0.77 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 2qq4 h TYR 8 CO 0.00 0.00 -0.46 0.00 -1.05 0.00 0.00 178.16 176.65 2qq4 h ARG 9 N 0.00 0.32 -0.07 4.88 3.08 -1.92 -2.01 114.38 118.66 2qq4 h ARG 9 Ca 0.00 -0.17 -0.20 0.00 0.07 0.00 0.00 59.98 59.68 2qq4 h ARG 9 Cb 0.36 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2qq4 h ARG 9 CO 0.00 0.72 -0.80 0.93 -1.07 0.00 0.00 179.97 179.75 2qq4 h GLU 10 N 0.26 0.47 -0.50 0.04 4.39 -1.31 -2.20 114.58 115.72 2qq4 h GLU 10 Ca 0.02 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 2qq4 h GLU 10 Cb 0.92 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 2qq4 h GLU 10 CO 0.08 1.05 0.30 0.82 -1.16 0.00 0.00 179.01 180.10 2qq4 h ILE 11 N 0.30 1.16 -0.37 3.13 2.04 -1.19 0.44 117.51 123.02 2qq4 h ILE 11 Ca -0.05 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2qq4 h ILE 11 Cb 1.40 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2qq4 h ILE 11 CO 0.14 0.16 0.14 -0.07 0.00 0.00 0.00 178.15 178.52 2qq4 h LEU 12 N 0.67 0.51 -0.51 1.44 3.38 -1.33 -1.72 115.31 117.75 2qq4 h LEU 12 Ca 0.18 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2qq4 h LEU 12 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2qq4 h LEU 12 CO -0.03 0.55 0.12 0.25 0.09 0.00 0.00 178.44 179.41 2qq4 h LEU 13 N 0.45 0.78 -0.04 1.67 5.85 -1.04 -1.70 115.31 121.27 2qq4 h LEU 13 Ca 0.12 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qq4 h LEU 13 Cb 0.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qq4 h LEU 13 CO -0.01 0.81 -0.00 -0.78 -0.34 0.00 0.00 178.44 178.12 2qq4 h ASP 14 N 0.70 -0.02 0.55 1.25 -0.00 0.02 -2.04 116.42 116.88 2qq4 h ASP 14 Ca 0.16 0.01 -0.12 0.00 -0.00 0.00 0.00 57.03 57.08 2qq4 h ASP 14 Cb 0.35 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.68 2qq4 h ASP 14 CO 0.00 -0.00 -0.55 0.45 -0.00 0.00 0.00 179.24 179.14 2qq4 h HIS 15 N 0.01 0.00 -0.27 0.28 3.86 -1.28 0.14 115.15 117.89 2qq4 h HIS 15 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2qq4 h HIS 15 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2qq4 h HIS 15 CO -0.10 0.55 -0.15 -0.92 0.86 0.00 0.00 177.93 178.17 2qq4 h TYR 16 N 0.00 0.68 0.00 2.45 3.20 -1.15 -2.68 116.97 119.47 2qq4 h TYR 16 Ca -0.01 -0.17 -0.21 0.00 3.14 0.00 0.00 58.73 61.48 2qq4 h TYR 16 Cb 0.98 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2qq4 h TYR 16 CO 0.00 0.84 -1.28 1.96 -1.64 0.00 0.00 178.16 178.04 2qq4 h GLN 17 N 0.32 0.00 -2.14 1.82 4.20 -1.34 -3.40 115.11 114.58 2qq4 h GLN 17 Ca 0.06 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.20 2qq4 h GLN 17 Cb 0.67 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.04 2qq4 h GLN 17 CO 0.04 0.54 -0.83 0.43 -0.67 0.00 0.00 178.83 178.34 2qq4 n SER 18 N -3.09 2.58 -4.69 1.46 7.64 0.49 -5.10 113.62 112.91 2qq4 n SER 18 Ca -0.08 -3.25 -0.44 0.00 1.01 0.00 0.00 58.87 56.11 2qq4 n SER 18 Cb 0.91 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 2qq4 n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2qq4 n PRO 19 N 0.63 2.26 -2.82 1.43 -0.04 -1.01 -4.59 135.00 130.87 2qq4 n PRO 19 Ca 0.27 0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 64.24 2qq4 n PRO 19 Cb 0.48 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 2qq4 n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qq4 s ARG 20 N -0.30 3.76 -1.68 0.54 3.00 -1.26 -4.26 118.95 118.74 2qq4 s ARG 20 Ca 0.68 0.45 -0.17 0.00 0.00 0.00 0.00 55.73 56.69 2qq4 s ARG 20 Cb -0.60 -2.38 0.15 0.00 0.00 0.00 0.00 34.95 32.11 2qq4 s ARG 20 CO 0.48 -0.06 0.77 0.09 0.00 0.00 0.00 175.30 176.58 2qq4 n ASN 21 N -1.40 -3.14 -4.65 0.23 3.02 -1.26 -4.63 115.26 103.43 2qq4 n ASN 21 Ca 0.02 -1.01 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 2qq4 n ASN 21 Cb 0.54 -2.79 -0.07 0.00 -0.61 0.00 0.00 39.78 36.84 2qq4 n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qq4 s PHE 22 N -3.34 3.34 -5.00 3.10 5.36 -1.26 -0.79 117.98 119.40 2qq4 s PHE 22 Ca 0.69 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2qq4 s PHE 22 Cb -0.38 -2.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.69 2qq4 s PHE 22 CO 0.92 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.99 2qq4 n GLY 23 N 4.05 0.67 3.59 13.12 0.00 0.56 -4.90 105.19 122.28 2qq4 n GLY 23 Ca -0.06 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 2qq4 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qq4 s VAL 24 N -3.07 3.52 -0.28 1.61 1.01 -1.26 -3.94 120.40 118.00 2qq4 s VAL 24 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 2qq4 s VAL 24 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2qq4 s VAL 24 CO 0.00 0.20 0.34 -0.76 0.00 0.00 0.00 175.10 174.88 2qq4 s LEU 25 N -1.96 4.07 0.10 3.92 1.43 -1.26 -4.98 118.68 120.00 2qq4 s LEU 25 Ca 0.21 0.18 -0.34 0.00 -1.03 0.00 0.00 54.13 53.15 2qq4 s LEU 25 Cb -0.11 -2.36 -0.14 0.00 0.03 0.00 0.00 46.19 43.61 2qq4 s LEU 25 CO 0.12 -0.17 1.54 -0.65 0.23 0.00 0.00 176.35 177.42 2qq4 h PRO 26 N 8.24 -0.68 -4.86 1.29 0.11 -2.03 -3.37 132.00 130.71 2qq4 h PRO 26 Ca -0.32 0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.16 2qq4 h PRO 26 Cb 1.17 0.15 -0.32 0.00 0.11 0.00 0.00 31.00 32.11 2qq4 h PRO 26 CO 0.63 -0.45 -0.73 -1.14 -0.21 0.00 0.00 178.00 176.09 2qq4 s GLN 27 N -5.67 2.67 0.13 1.05 0.74 -1.26 -5.10 119.66 112.22 2qq4 s GLN 27 Ca -0.16 -1.09 0.10 0.00 0.05 0.00 0.00 55.36 54.27 2qq4 s GLN 27 Cb 0.06 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 2qq4 s GLN 27 CO 0.59 -0.48 -0.26 0.00 -0.55 0.00 0.00 175.29 174.59 2qq4 s ALA 28 N 1.29 2.28 -0.15 1.58 0.00 -1.26 -4.77 121.76 120.72 2qq4 s ALA 28 Ca -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2qq4 s ALA 28 Cb -0.18 -0.35 -0.24 0.00 0.00 0.00 0.00 23.12 22.35 2qq4 s ALA 28 CO -0.03 0.50 0.26 2.41 0.00 0.00 0.00 175.76 178.90 2qq4 n THR 29 N 0.93 1.70 -4.26 0.00 -1.04 0.16 -4.95 114.28 106.82 2qq4 n THR 29 Ca -0.18 -0.53 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 2qq4 n THR 29 Cb 0.53 -1.77 -0.10 0.00 -1.82 0.00 0.00 70.33 67.17 2qq4 n THR 29 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2qq4 s LYS 30 N -2.52 1.08 -0.28 -2.82 -0.14 0.21 -4.98 119.74 110.29 2qq4 s LYS 30 Ca -0.25 -1.38 -0.20 0.00 -1.36 0.00 0.00 55.97 52.77 2qq4 s LYS 30 Cb 0.07 -0.81 0.09 0.00 -1.68 0.00 0.00 37.83 35.50 2qq4 s LYS 30 CO 0.71 0.13 0.79 -1.14 -0.76 0.00 0.00 175.35 175.08 2qq4 s GLN 31 N -3.29 0.68 -0.21 1.68 0.74 -1.26 -0.69 119.66 117.31 2qq4 s GLN 31 Ca 0.14 0.98 -0.17 0.00 0.05 0.00 0.00 55.36 56.37 2qq4 s GLN 31 Cb -0.01 0.24 0.06 0.00 1.10 0.00 0.00 33.01 34.40 2qq4 s GLN 31 CO 0.03 -0.11 0.55 0.00 -0.55 0.00 0.00 175.29 175.20 2qq4 s ALA 32 N 0.97 -1.39 0.46 1.58 0.00 -0.53 -4.80 121.76 118.05 2qq4 s ALA 32 Ca -0.05 1.70 0.08 0.00 0.00 0.00 0.00 51.96 53.70 2qq4 s ALA 32 Cb -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2qq4 s ALA 32 CO -0.10 -0.28 0.51 0.20 0.00 0.00 0.00 175.76 176.08 2qq4 s GLY 33 N 0.75 2.04 0.07 0.00 0.00 -1.26 -0.74 107.32 108.17 2qq4 s GLY 33 Ca -0.04 -1.79 -0.18 0.00 0.00 0.00 0.00 44.72 42.71 2qq4 s GLY 33 CO -0.06 -1.66 0.42 -0.32 0.00 0.00 0.00 173.10 171.49 2qq4 s GLY 34 N -4.30 -0.29 -0.04 0.20 0.00 0.14 -4.72 107.32 98.31 2qq4 s GLY 34 Ca 0.51 0.23 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 2qq4 s GLY 34 CO 0.30 -0.03 0.43 -0.29 0.00 0.00 0.00 173.10 173.51 2qq4 s MET 35 N -2.89 0.77 -0.45 2.90 1.75 -1.26 -1.56 119.30 118.56 2qq4 s MET 35 Ca -0.03 0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.44 2qq4 s MET 35 Cb 0.00 0.35 0.13 0.00 2.84 0.00 0.00 34.83 38.16 2qq4 s MET 35 CO -0.05 -0.21 0.24 1.21 -0.65 0.00 0.00 175.02 175.55 2qq4 s ASN 36 N -1.15 3.72 0.27 1.11 3.84 0.27 -4.98 114.94 118.02 2qq4 s ASN 36 Ca -0.12 -2.66 0.01 0.00 0.21 0.00 0.00 52.86 50.30 2qq4 s ASN 36 Cb -0.04 -1.09 0.61 0.00 -0.55 0.00 0.00 41.25 40.18 2qq4 s ASN 36 CO 0.06 -0.26 1.72 -0.65 -2.79 0.00 0.00 177.10 175.17 2qq4 h PRO 37 N 6.71 0.46 0.00 0.43 0.11 -1.93 0.57 132.00 138.34 2qq4 h PRO 37 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2qq4 h PRO 37 Cb 0.92 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qq4 h PRO 37 CO 0.50 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 2qq4 n SER 38 N -4.99 0.00 -0.05 -2.05 3.41 -1.26 -3.32 113.62 105.36 2qq4 n SER 38 Ca 0.19 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.67 2qq4 n SER 38 Cb 0.54 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2qq4 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qq4 n GLY 40 N -0.06 1.26 3.74 0.00 0.00 0.20 -4.89 105.19 105.43 2qq4 n GLY 40 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2qq4 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qq4 s ASP 41 N -2.00 7.52 -0.05 1.61 1.01 -0.91 -4.50 116.67 119.35 2qq4 s ASP 41 Ca 0.00 1.95 -0.04 0.00 0.71 0.00 0.00 52.55 55.18 2qq4 s ASP 41 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2qq4 s ASP 41 CO 0.00 0.01 0.13 -1.58 0.21 0.00 0.00 175.17 173.94 2qq4 s GLN 42 N -0.74 0.12 -0.13 8.23 0.74 -0.06 0.96 119.66 128.77 2qq4 s GLN 42 Ca 0.44 0.26 -0.11 0.00 0.05 0.00 0.00 55.36 56.01 2qq4 s GLN 42 Cb -0.26 -0.05 0.04 0.00 1.10 0.00 0.00 33.01 33.84 2qq4 s GLN 42 CO 0.33 -0.09 0.34 0.54 -0.55 0.00 0.00 175.29 175.86 2qq4 s VAL 43 N 0.57 -0.01 -0.08 1.34 0.11 -0.60 -1.94 120.40 119.79 2qq4 s VAL 43 Ca -0.04 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2qq4 s VAL 43 Cb -0.06 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2qq4 s VAL 43 CO -0.03 0.01 -0.18 -1.83 -3.33 0.00 0.00 175.10 169.74 2qq4 s GLU 44 N 0.44 2.35 -0.15 1.54 -1.05 -0.33 0.29 118.70 121.79 2qq4 s GLU 44 Ca -0.02 -0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 54.11 2qq4 s GLU 44 Cb -0.04 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 2qq4 s GLU 44 CO -0.02 0.12 -0.02 0.08 0.95 0.00 0.00 175.26 176.37 2qq4 s VAL 45 N 0.46 4.11 -0.06 1.83 1.01 0.08 -1.40 120.40 126.44 2qq4 s VAL 45 Ca -0.16 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2qq4 s VAL 45 Cb -0.17 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2qq4 s VAL 45 CO 0.06 0.51 -0.18 -0.04 0.00 0.00 0.00 175.10 175.45 2qq4 s MET 46 N 0.12 2.56 0.01 2.72 -1.94 0.31 -1.45 119.30 121.64 2qq4 s MET 46 Ca 0.00 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2qq4 s MET 46 Cb -0.13 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.39 2qq4 s MET 46 CO 0.02 0.51 -0.05 0.08 -0.01 0.00 0.00 175.02 175.57 2qq4 s VAL 47 N -0.45 0.40 -0.24 -6.03 1.01 0.13 -1.30 120.40 113.92 2qq4 s VAL 47 Ca 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2qq4 s VAL 47 Cb -0.12 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2qq4 s VAL 47 CO 0.02 -0.01 -0.05 -0.22 0.00 0.00 0.00 175.10 174.83 2qq4 s LEU 48 N -0.45 3.10 -0.07 3.92 2.96 0.15 0.37 118.68 128.66 2qq4 s LEU 48 Ca -0.01 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 2qq4 s LEU 48 Cb -0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2qq4 s LEU 48 CO -0.00 -0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.29 2qq4 s LEU 49 N 1.38 4.15 -0.26 -0.68 1.43 -1.26 -0.32 118.68 123.12 2qq4 s LEU 49 Ca 0.02 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2qq4 s LEU 49 Cb -0.16 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.96 2qq4 s LEU 49 CO -0.04 0.34 0.09 -1.61 0.23 0.00 0.00 176.35 175.36 2qq4 s GLU 50 N -1.35 0.54 7.69 1.70 2.02 -0.43 -4.87 118.70 124.00 2qq4 s GLU 50 Ca 0.19 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2qq4 s GLU 50 Cb -0.12 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2qq4 s GLU 50 CO 0.09 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.90 2qq4 n GLY 51 N 5.02 2.55 0.90 -1.39 0.00 -1.26 -1.83 105.19 109.18 2qq4 n GLY 51 Ca -0.05 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.68 2qq4 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qq4 n ASP 52 N 8.41 3.23 -4.41 1.61 9.92 -1.26 -5.00 116.55 129.06 2qq4 n ASP 52 Ca 0.00 -3.29 -0.32 0.00 -0.53 0.00 0.00 54.79 50.65 2qq4 n ASP 52 Cb 0.00 -0.57 -0.14 0.00 -0.64 0.00 0.00 41.12 39.77 2qq4 n ASP 52 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2qq4 s THR 53 N -2.98 2.69 -1.00 -3.53 2.01 -0.76 -0.82 115.64 111.25 2qq4 s THR 53 Ca 0.42 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 2qq4 s THR 53 Cb 0.36 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.88 2qq4 s THR 53 CO 0.05 0.58 1.49 -0.63 -0.69 0.00 0.00 174.62 175.42 2qq4 s ILE 54 N -0.58 3.87 0.09 1.82 1.01 0.12 -1.32 121.20 126.22 2qq4 s ILE 54 Ca 0.08 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 2qq4 s ILE 54 Cb -0.11 -4.97 -0.14 0.00 0.01 0.00 0.00 42.46 37.25 2qq4 s ILE 54 CO 0.01 -1.85 1.63 0.00 0.00 0.00 0.00 174.94 174.72 2qq4 h ALA 55 N 9.94 -0.69 -2.52 9.38 0.00 -0.98 0.15 119.26 134.53 2qq4 h ALA 55 Ca 0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2qq4 h ALA 55 Cb 1.01 0.42 -0.17 0.00 0.00 0.00 0.00 17.79 19.04 2qq4 h ALA 55 CO 1.41 -0.92 -0.66 0.34 0.00 0.00 0.00 179.25 179.42 2qq4 s ASP 56 N -4.62 0.37 -0.13 0.00 -1.08 -1.13 -4.40 116.67 105.69 2qq4 s ASP 56 Ca -0.17 -0.78 -0.18 0.00 -0.52 0.00 0.00 52.55 50.90 2qq4 s ASP 56 Cb 0.06 0.17 0.04 0.00 -1.46 0.00 0.00 42.92 41.73 2qq4 s ASP 56 CO 0.63 -0.50 0.47 -0.51 0.52 0.00 0.00 175.17 175.79 2qq4 s ILE 57 N -2.98 0.01 0.07 4.11 2.07 -1.26 -0.68 121.20 122.54 2qq4 s ILE 57 Ca -0.02 -0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.02 2qq4 s ILE 57 Cb 0.01 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.91 2qq4 s ILE 57 CO -0.07 -0.06 0.22 -0.13 -1.91 0.00 0.00 174.94 172.99 2qq4 s ARG 58 N -0.27 0.81 0.18 3.50 0.52 -0.42 -4.81 118.95 118.46 2qq4 s ARG 58 Ca -0.04 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 2qq4 s ARG 58 Cb -0.03 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.73 2qq4 s ARG 58 CO 0.03 -0.26 -0.05 -0.59 0.02 0.00 0.00 175.30 174.45 2qq4 s PHE 59 N -3.38 1.34 0.15 -0.53 -0.12 0.03 -0.53 117.98 114.94 2qq4 s PHE 59 Ca 0.01 -0.86 -0.04 0.00 -0.05 0.00 0.00 56.93 55.99 2qq4 s PHE 59 Cb 0.03 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 2qq4 s PHE 59 CO -0.08 -0.02 0.15 -0.65 -0.05 0.00 0.00 175.22 174.57 2qq4 s GLN 60 N -3.82 1.03 0.00 1.99 -0.21 -0.49 -0.33 119.66 117.84 2qq4 s GLN 60 Ca 0.22 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.26 2qq4 s GLN 60 Cb 0.04 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.35 2qq4 s GLN 60 CO 0.04 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 2qq4 n GLY 61 N -0.15 2.08 3.11 3.09 0.00 -1.26 -1.19 105.19 110.88 2qq4 n GLY 61 Ca -0.06 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 2qq4 n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qq4 s GLN 62 N -1.60 0.67 0.00 1.61 1.03 -0.82 -4.96 119.66 115.59 2qq4 s GLN 62 Ca 0.00 -1.03 0.00 0.00 0.04 0.00 0.00 55.36 54.37 2qq4 s GLN 62 Cb 0.00 -0.23 0.00 0.00 0.03 0.00 0.00 33.01 32.81 2qq4 s GLN 62 CO 0.00 0.01 0.00 0.41 -2.54 0.00 0.00 175.29 173.17 2qq4 n GLY 63 N 0.73 -0.89 3.67 2.60 0.00 -1.26 -0.88 105.19 109.16 2qq4 n GLY 63 Ca -0.18 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2qq4 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 h ALA 65 N -1.83 1.37 -0.76 0.00 0.00 -1.99 -1.72 119.26 114.32 2qq4 h ALA 65 Ca -0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2qq4 h ALA 65 Cb 1.31 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2qq4 h ALA 65 CO 0.55 0.43 0.42 0.82 0.00 0.00 0.00 179.25 181.46 2qq4 h ILE 66 N 1.15 1.23 -0.12 0.00 2.04 -1.92 0.12 117.51 120.01 2qq4 h ILE 66 Ca 0.43 -0.57 -0.18 0.00 1.00 0.00 0.00 64.86 65.54 2qq4 h ILE 66 Cb 0.17 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2qq4 h ILE 66 CO -0.17 0.25 -0.67 0.77 0.00 0.00 0.00 178.15 178.33 2qq4 h SER 67 N 1.05 0.56 -0.25 1.72 4.64 -1.50 -1.44 113.55 118.33 2qq4 h SER 67 Ca 0.27 -0.34 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 2qq4 h SER 67 Cb 0.03 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2qq4 h SER 67 CO -0.04 1.08 -0.19 0.74 -0.87 0.00 0.00 176.83 177.54 2qq4 h THR 68 N 0.35 1.31 -0.63 2.95 2.02 -1.04 -1.37 112.91 116.49 2qq4 h THR 68 Ca -0.02 -1.32 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 2qq4 h THR 68 Cb 1.24 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2qq4 h THR 68 CO 0.12 0.41 0.04 0.00 0.37 0.00 0.00 175.52 176.46 2qq4 h ALA 69 N 0.70 0.86 -0.45 6.16 0.00 -1.01 -1.85 119.26 123.68 2qq4 h ALA 69 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2qq4 h ALA 69 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qq4 h ALA 69 CO 0.05 0.67 0.18 1.03 0.00 0.00 0.00 179.25 181.18 2qq4 h SER 70 N 1.01 0.63 -0.42 0.00 0.87 -1.16 0.16 113.55 114.63 2qq4 h SER 70 Ca 0.19 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2qq4 h SER 70 Cb 0.52 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2qq4 h SER 70 CO 0.02 0.63 0.16 0.00 -0.53 0.00 0.00 176.83 177.11 2qq4 h ALA 71 N 1.02 0.55 0.37 6.23 0.00 -1.11 0.02 119.26 126.33 2qq4 h ALA 71 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 71 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qq4 h ALA 71 CO -0.01 0.16 -0.26 1.03 0.00 0.00 0.00 179.25 180.17 2qq4 h SER 72 N 0.53 -0.65 -0.82 0.00 0.87 -1.14 -1.36 113.55 110.98 2qq4 h SER 72 Ca 0.14 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 2qq4 h SER 72 Cb 0.21 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.32 2qq4 h SER 72 CO -0.01 -0.39 0.53 -0.07 -0.53 0.00 0.00 176.83 176.36 2qq4 h LEU 73 N -0.61 0.77 -0.35 2.23 3.38 -0.85 -2.12 115.31 117.77 2qq4 h LEU 73 Ca -0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2qq4 h LEU 73 Cb 0.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2qq4 h LEU 73 CO 0.02 0.49 0.02 -0.03 0.09 0.00 0.00 178.44 179.03 2qq4 h MET 74 N 0.88 0.60 -0.81 1.13 4.05 -0.59 -0.47 114.93 119.72 2qq4 h MET 74 Ca 0.36 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2qq4 h MET 74 Cb 0.26 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 2qq4 h MET 74 CO -0.13 0.70 0.43 1.79 0.23 0.00 0.00 176.91 179.93 2qq4 h THR 75 N 0.42 1.24 -0.10 -0.77 1.35 -0.70 -1.93 112.91 112.42 2qq4 h THR 75 Ca 0.10 -0.63 -0.12 0.00 -0.55 0.00 0.00 66.41 65.21 2qq4 h THR 75 Cb 0.42 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 2qq4 h THR 75 CO 0.01 0.28 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.77 2qq4 h GLU 76 N 1.13 0.23 0.00 4.72 5.08 -1.28 -2.25 114.58 122.21 2qq4 h GLU 76 Ca 0.28 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2qq4 h GLU 76 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qq4 h GLU 76 CO -0.04 0.65 -0.48 0.00 -1.00 0.00 0.00 179.01 178.14 2qq4 h ALA 77 N 1.33 1.08 0.00 3.43 0.00 -0.36 -3.34 119.26 121.40 2qq4 h ALA 77 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qq4 h ALA 77 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qq4 h ALA 77 CO 0.07 0.60 -1.37 1.33 0.00 0.00 0.00 179.25 179.88 2qq4 n VAL 78 N -3.78 0.00 -1.67 0.00 0.24 -0.79 -4.90 118.33 107.42 2qq4 n VAL 78 Ca -0.01 -0.27 -0.46 0.00 -2.04 0.00 0.00 64.34 61.56 2qq4 n VAL 78 Cb 0.53 0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 2qq4 n VAL 78 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qq4 n LYS 79 N -1.80 2.07 -0.15 7.34 4.81 -0.85 -0.98 118.16 128.60 2qq4 n LYS 79 Ca -0.01 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2qq4 n LYS 79 Cb 0.29 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2qq4 n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qq4 n GLY 80 N 3.02 2.04 3.97 3.14 0.00 0.51 -5.02 105.19 112.87 2qq4 n GLY 80 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2qq4 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qq4 s LYS 81 N -0.23 2.40 0.30 1.61 -0.14 -0.15 -4.73 119.74 118.80 2qq4 s LYS 81 Ca 0.00 -0.82 -0.14 0.00 -1.36 0.00 0.00 55.97 53.65 2qq4 s LYS 81 Cb 0.00 -2.45 -0.09 0.00 -1.68 0.00 0.00 37.83 33.61 2qq4 s LYS 81 CO 0.00 -0.85 0.70 0.15 -0.76 0.00 0.00 175.35 174.59 2qq4 s LYS 82 N -4.84 3.97 0.31 1.68 3.01 -1.26 -0.70 119.74 121.91 2qq4 s LYS 82 Ca 0.59 0.60 0.07 0.00 -1.01 0.00 0.00 55.97 56.22 2qq4 s LYS 82 Cb -0.10 -2.48 0.82 0.00 -1.01 0.00 0.00 37.83 35.06 2qq4 s LYS 82 CO 0.40 0.19 1.73 0.28 0.51 0.00 0.00 175.35 178.46 2qq4 h VAL 83 N 1.99 0.57 -0.17 3.17 2.07 -1.33 0.14 116.25 122.69 2qq4 h VAL 83 Ca -0.48 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2qq4 h VAL 83 Cb 1.17 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2qq4 h VAL 83 CO 0.66 0.11 0.06 0.00 0.02 0.00 0.00 177.57 178.41 2qq4 h ALA 84 N 1.70 0.22 0.00 1.67 0.00 -1.93 -0.82 119.26 120.10 2qq4 h ALA 84 Ca 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2qq4 h ALA 84 Cb 1.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qq4 h ALA 84 CO -0.46 -0.17 -0.16 0.93 0.00 0.00 0.00 179.25 179.39 2qq4 h GLU 85 N 0.10 0.00 -0.04 0.00 5.08 -1.36 -2.32 114.58 116.04 2qq4 h GLU 85 Ca 0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2qq4 h GLU 85 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2qq4 h GLU 85 CO -0.00 0.16 -0.59 0.00 -1.00 0.00 0.00 179.01 177.58 2qq4 h ALA 86 N 1.84 0.12 0.00 3.43 0.00 -0.42 -3.05 119.26 121.18 2qq4 h ALA 86 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2qq4 h ALA 86 Cb 0.32 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qq4 h ALA 86 CO 0.02 0.38 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 2qq4 h LEU 87 N 0.00 0.00 0.02 0.00 3.38 -0.78 -2.07 115.31 115.86 2qq4 h LEU 87 Ca -0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2qq4 h LEU 87 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2qq4 h LEU 87 CO 0.12 0.03 -1.11 -0.33 0.09 0.00 0.00 178.44 177.24 2qq4 h GLU 88 N 0.00 0.19 -0.08 1.13 4.39 -1.38 -2.12 114.58 116.71 2qq4 h GLU 88 Ca -0.00 -0.30 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 2qq4 h GLU 88 Cb 0.30 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2qq4 h GLU 88 CO 0.00 1.12 -0.62 -0.07 -1.16 0.00 0.00 179.01 178.28 2qq4 h LEU 89 N 0.06 0.34 0.58 1.33 3.38 -1.32 -2.43 115.31 117.25 2qq4 h LEU 89 Ca -0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2qq4 h LEU 89 Cb 1.83 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.49 2qq4 h LEU 89 CO 0.17 0.87 -0.28 -1.28 0.09 0.00 0.00 178.44 178.02 2qq4 h SER 90 N 0.22 -0.65 -0.65 -0.43 0.87 -1.35 0.19 113.55 111.75 2qq4 h SER 90 Ca -0.01 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2qq4 h SER 90 Cb 1.14 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 63.16 2qq4 h SER 90 CO 0.10 -0.39 0.06 -0.09 -0.53 0.00 0.00 176.83 175.97 2qq4 h ARG 91 N -0.92 0.16 0.61 2.24 2.43 -1.46 -0.93 114.38 116.51 2qq4 h ARG 91 Ca -0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2qq4 h ARG 91 Cb 0.59 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2qq4 h ARG 91 CO 0.13 0.11 -0.44 0.87 -1.51 0.00 0.00 179.97 179.13 2qq4 h LYS 92 N 0.17 -0.96 -0.94 0.20 1.57 -1.40 -2.85 116.57 112.35 2qq4 h LYS 92 Ca 0.35 0.07 0.23 0.00 -1.87 0.00 0.00 60.65 59.43 2qq4 h LYS 92 Cb 0.57 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 32.97 2qq4 h LYS 92 CO -0.52 -0.64 0.48 0.35 -0.57 0.00 0.00 179.45 178.55 2qq4 h PHE 93 N -1.00 0.81 0.00 -1.35 3.57 -0.09 1.03 116.94 119.91 2qq4 h PHE 93 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2qq4 h PHE 93 Cb 0.82 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2qq4 h PHE 93 CO -0.13 -0.01 0.00 1.96 -2.23 0.00 0.00 178.31 177.90 2qq4 h GLN 94 N 0.47 0.00 0.15 1.11 4.20 -1.00 -1.77 115.11 118.27 2qq4 h GLN 94 Ca 0.60 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.97 2qq4 h GLN 94 Cb 1.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 2qq4 h GLN 94 CO -0.51 0.00 -1.79 0.00 -0.67 0.00 0.00 178.83 175.86 2qq4 h ALA 95 N 2.07 0.26 -0.87 3.87 0.00 0.13 0.19 119.26 124.91 2qq4 h ALA 95 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 54.91 53.70 2qq4 h ALA 95 Cb 0.16 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2qq4 h ALA 95 CO 0.00 1.10 0.58 1.98 0.00 0.00 0.00 179.25 182.90 2qq4 h MET 96 N 0.01 1.09 0.00 0.00 -1.53 -0.51 1.09 114.93 115.08 2qq4 h MET 96 Ca -0.37 -0.07 -0.05 0.00 -3.44 0.00 0.00 59.70 55.77 2qq4 h MET 96 Cb 2.01 -0.25 -0.01 0.00 -0.55 0.00 0.00 31.60 32.80 2qq4 h MET 96 CO 0.12 0.72 -1.75 1.33 0.14 0.00 0.00 176.91 177.47 2qq4 n VAL 97 N -4.43 0.20 -0.09 -5.77 0.24 -0.98 -3.91 118.33 103.59 2qq4 n VAL 97 Ca 0.11 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 2qq4 n VAL 97 Cb 0.08 -0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.32 2qq4 n VAL 97 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2qq4 n VAL 98 N -2.13 1.59 0.45 3.34 0.31 0.06 -4.21 118.33 117.73 2qq4 n VAL 98 Ca -0.07 -0.38 0.10 0.00 -0.01 0.00 0.00 64.34 63.98 2qq4 n VAL 98 Cb 0.51 -1.81 0.14 0.00 -0.91 0.00 0.00 33.84 31.78 2qq4 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qq4 n GLU 99 N -3.92 2.09 -2.17 5.55 -0.58 -1.18 -4.95 120.64 115.49 2qq4 n GLU 99 Ca -0.40 -1.94 -0.18 0.00 -0.42 0.00 0.00 57.16 54.22 2qq4 n GLU 99 Cb 0.89 -1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 30.32 2qq4 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qq4 n GLY 100 N 1.18 0.06 3.43 0.62 0.00 -0.62 -4.95 105.19 104.91 2qq4 n GLY 100 Ca 0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2qq4 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 n ALA 101 N -1.22 -3.10 -1.77 4.61 0.00 0.37 -4.93 120.51 114.47 2qq4 n ALA 101 Ca -0.20 -1.15 -0.38 0.00 0.00 0.00 0.00 53.44 51.70 2qq4 n ALA 101 Cb 0.64 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 2qq4 n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qq4 s PRO 102 N -4.13 4.47 0.80 0.00 0.04 -1.26 -4.48 135.00 130.43 2qq4 s PRO 102 Ca 0.65 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 2qq4 s PRO 102 Cb -0.22 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 2qq4 s PRO 102 CO 0.65 0.11 0.19 -2.30 0.04 0.00 0.00 177.00 175.70 2qq4 n PRO 103 N 0.64 0.08 -3.67 0.56 -0.02 -1.26 -4.85 135.00 126.47 2qq4 n PRO 103 Ca 0.02 0.06 -0.20 0.00 -2.02 0.00 0.00 63.50 61.35 2qq4 n PRO 103 Cb 0.48 -1.60 -0.18 0.00 -0.02 0.00 0.00 33.50 32.18 2qq4 n PRO 103 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qq4 s ASP 104 N -1.46 1.15 0.60 2.55 -1.08 -1.26 -5.04 116.67 112.13 2qq4 s ASP 104 Ca 0.58 0.07 0.31 0.00 -0.52 0.00 0.00 52.55 52.99 2qq4 s ASP 104 Cb -0.30 -0.15 1.80 0.00 -1.46 0.00 0.00 42.92 42.80 2qq4 s ASP 104 CO 0.65 -0.25 2.17 1.55 0.52 0.00 0.00 175.17 179.81 2qq4 h PRO 105 N 8.43 0.00 -0.22 4.34 0.13 -1.97 -2.08 132.00 140.63 2qq4 h PRO 105 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2qq4 h PRO 105 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qq4 h PRO 105 CO 0.16 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.18 2qq4 n THR 106 N -3.66 0.15 0.33 1.56 -2.24 -1.26 -2.95 114.28 106.20 2qq4 n THR 106 Ca -0.00 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 2qq4 n THR 106 Cb 0.23 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 2qq4 n THR 106 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qq4 n LEU 107 N -0.20 0.49 0.00 3.22 4.77 -0.78 -5.03 117.00 119.47 2qq4 n LEU 107 Ca 0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2qq4 n LEU 107 Cb 0.12 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2qq4 n LEU 107 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2qq4 n GLY 108 N 1.31 2.92 0.41 -0.72 0.00 -1.15 -1.32 105.19 106.64 2qq4 n GLY 108 Ca -0.00 -0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.09 2qq4 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qq4 h ASP 109 N 1.89 0.00 0.08 1.61 3.45 -1.96 0.12 116.42 121.61 2qq4 h ASP 109 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qq4 h ASP 109 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qq4 h ASP 109 CO 0.00 0.00 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.59 2qq4 h LEU 110 N 0.00 0.00 -1.44 1.55 3.38 -1.57 -1.70 115.31 115.54 2qq4 h LEU 110 Ca 0.23 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.32 2qq4 h LEU 110 Cb 1.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 2qq4 h LEU 110 CO -0.00 0.01 0.50 -0.07 0.09 0.00 0.00 178.44 178.97 2qq4 h LEU 111 N 0.00 0.55 -0.67 1.67 3.38 -0.92 -2.23 115.31 117.09 2qq4 h LEU 111 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qq4 h LEU 111 Cb 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qq4 h LEU 111 CO 0.00 0.31 0.58 0.00 0.09 0.00 0.00 178.44 179.42 2qq4 h ALA 112 N 1.63 1.47 -0.47 1.53 0.00 -1.51 0.18 119.26 122.09 2qq4 h ALA 112 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qq4 h ALA 112 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qq4 h ALA 112 CO -0.13 -0.47 0.00 1.28 0.00 0.00 0.00 179.25 179.92 2qq4 n LEU 113 N -2.22 4.70 -0.02 0.00 4.77 -0.84 -4.66 117.00 118.72 2qq4 n LEU 113 Ca -0.01 -2.79 -0.09 0.00 -0.03 0.00 0.00 56.01 53.09 2qq4 n LEU 113 Cb 0.59 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2qq4 n LEU 113 CO 0.04 0.69 0.80 1.56 -1.33 0.00 0.00 177.39 179.16 2qq4 h GLN 114 N 3.12 -0.07 0.00 3.23 4.20 -0.85 -2.40 115.11 122.33 2qq4 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qq4 h GLN 114 Cb 1.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.39 2qq4 h GLN 114 CO 0.31 -0.05 0.68 0.78 -0.67 0.00 0.00 178.83 179.88 2qq4 h GLY 115 N -0.07 0.00 2.00 3.46 0.00 -1.84 0.25 103.07 106.87 2qq4 h GLY 115 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2qq4 h GLY 115 CO -0.21 0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.20 2qq4 h VAL 116 N 0.00 0.44 -0.75 4.60 2.07 -1.80 0.51 116.25 121.33 2qq4 h VAL 116 Ca 0.00 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.39 2qq4 h VAL 116 Cb 1.36 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 2qq4 h VAL 116 CO 0.00 0.04 0.39 0.00 0.02 0.00 0.00 177.57 178.03 2qq4 h ALA 117 N 1.95 1.05 -2.15 1.67 0.00 -0.67 -3.37 119.26 117.75 2qq4 h ALA 117 Ca -0.00 0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.50 2qq4 h ALA 117 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qq4 h ALA 117 CO 0.01 -0.00 0.36 0.15 0.00 0.00 0.00 179.25 179.76 2qq4 s LYS 118 N -6.05 4.04 -0.82 0.00 1.02 0.17 -3.72 119.74 114.38 2qq4 s LYS 118 Ca -0.12 1.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.89 2qq4 s LYS 118 Cb 0.19 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2qq4 s LYS 118 CO 0.77 -0.19 0.69 1.28 -0.92 0.00 0.00 175.35 176.97 2qq4 n LEU 119 N -1.21 -3.60 0.00 3.17 4.32 -1.26 -4.84 117.00 113.58 2qq4 n LEU 119 Ca 0.07 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 2qq4 n LEU 119 Cb 0.54 -2.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.00 2qq4 n LEU 119 CO 0.43 0.23 0.31 -2.65 -1.22 0.00 0.00 177.39 174.49 2qq4 n PRO 120 N -3.10 0.00 0.13 3.23 -0.02 -1.24 -0.97 135.00 133.03 2qq4 n PRO 120 Ca -0.18 0.14 0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2qq4 n PRO 120 Cb 0.61 -1.59 0.03 0.00 -0.02 0.00 0.00 33.50 32.53 2qq4 n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qq4 h ALA 121 N 1.22 0.66 -0.06 3.55 0.00 -1.89 -3.21 119.26 119.53 2qq4 h ALA 121 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qq4 h ALA 121 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qq4 h ALA 121 CO 0.00 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.48 2qq4 n ARG 122 N -3.26 2.16 -0.22 0.00 1.74 -0.15 -4.26 116.66 112.67 2qq4 n ARG 122 Ca 0.02 -1.69 0.14 0.00 -0.77 0.00 0.00 57.85 55.55 2qq4 n ARG 122 Cb 0.74 -1.47 0.45 0.00 -1.02 0.00 0.00 32.46 31.16 2qq4 n ARG 122 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qq4 h VAL 123 N 4.03 0.80 -0.97 1.55 2.07 -1.66 0.28 116.25 122.36 2qq4 h VAL 123 Ca 0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2qq4 h VAL 123 Cb 0.86 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2qq4 h VAL 123 CO 0.00 0.10 0.63 0.11 0.02 0.00 0.00 177.57 178.43 2qq4 h LYS 124 N 0.54 1.18 -0.50 1.57 6.56 -1.81 -1.80 116.57 122.30 2qq4 h LYS 124 Ca 0.42 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2qq4 h LYS 124 Cb 0.82 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 32.19 2qq4 h LYS 124 CO -0.16 0.78 0.32 0.00 -2.06 0.00 0.00 179.45 178.33 2qq4 h ALA 126 N 1.67 0.65 -0.00 0.00 0.00 -1.21 -3.28 119.26 117.08 2qq4 h ALA 126 Ca 0.18 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qq4 h ALA 126 Cb -0.06 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qq4 h ALA 126 CO -0.04 0.84 -0.72 0.25 0.00 0.00 0.00 179.25 179.58 2qq4 n THR 127 N -3.00 0.00 -0.07 0.00 -2.24 -0.77 -4.43 114.28 103.77 2qq4 n THR 127 Ca -0.06 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 2qq4 n THR 127 Cb 0.81 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 2qq4 n THR 127 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qq4 h LEU 128 N 0.19 -0.99 -0.99 3.22 5.85 -1.61 0.10 115.31 121.08 2qq4 h LEU 128 Ca 0.00 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2qq4 h LEU 128 Cb 0.51 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2qq4 h LEU 128 CO 0.00 -0.32 0.65 0.00 -0.34 0.00 0.00 178.44 178.43 2qq4 h ALA 129 N 0.68 1.29 -0.18 1.25 0.00 -1.85 -1.68 119.26 118.77 2qq4 h ALA 129 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2qq4 h ALA 129 Cb 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qq4 h ALA 129 CO -0.46 0.58 -0.43 -1.49 0.00 0.00 0.00 179.25 177.45 2qq4 h TRP 130 N 1.28 0.50 -0.06 0.00 4.06 -1.58 -1.55 115.95 118.60 2qq4 h TRP 130 Ca 0.38 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.17 2qq4 h TRP 130 Cb -0.05 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2qq4 h TRP 130 CO -0.00 0.78 -0.01 0.45 -3.56 0.00 0.00 178.44 176.10 2qq4 h HIS 131 N 0.34 0.13 -0.99 0.49 3.86 -0.54 -1.99 115.15 116.46 2qq4 h HIS 131 Ca 0.03 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2qq4 h HIS 131 Cb 0.90 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 2qq4 h HIS 131 CO 0.03 0.41 0.62 0.00 0.86 0.00 0.00 177.93 179.85 2qq4 h ALA 132 N 0.70 1.58 -0.11 2.45 0.00 -1.21 -0.26 119.26 122.41 2qq4 h ALA 132 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qq4 h ALA 132 Cb 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qq4 h ALA 132 CO 0.00 0.16 0.03 1.25 0.00 0.00 0.00 179.25 180.70 2qq4 h LEU 133 N 0.93 0.16 -1.02 0.00 5.85 -1.01 -2.23 115.31 117.98 2qq4 h LEU 133 Ca 0.50 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2qq4 h LEU 133 Cb 0.56 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2qq4 h LEU 133 CO -0.27 0.32 0.29 -0.33 -0.34 0.00 0.00 178.44 178.11 2qq4 h GLU 134 N -0.01 0.99 0.00 1.25 5.08 -0.60 0.58 114.58 121.87 2qq4 h GLU 134 Ca 0.04 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2qq4 h GLU 134 Cb 0.22 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qq4 h GLU 134 CO -0.00 0.79 -0.03 1.49 -1.00 0.00 0.00 179.01 180.26 2qq4 h GLU 135 N 0.98 0.00 0.10 2.33 4.81 -0.93 -1.05 114.58 120.82 2qq4 h GLU 135 Ca 0.23 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.19 2qq4 h GLU 135 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qq4 h GLU 135 CO -0.02 0.03 -1.39 0.00 -0.73 0.00 0.00 179.01 176.89 2qq4 h ALA 136 N 1.97 0.20 0.00 2.92 0.00 -0.54 -3.37 119.26 120.44 2qq4 h ALA 136 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2qq4 h ALA 136 Cb 0.39 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qq4 h ALA 136 CO 0.00 0.82 0.00 -0.07 0.00 0.00 0.00 179.25 180.00 2qq4 h LEU 137 N -0.37 0.00 0.00 0.00 3.38 -0.76 -3.43 115.31 114.13 2qq4 h LEU 137 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qq4 h LEU 137 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2qq4 h LEU 137 CO 0.03 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.10