#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 h VAL 3 N 0.00 0.97 0.00 2.46 2.07 -2.07 -3.27 116.25 116.40 2qq4 h VAL 3 Ca 0.00 -1.91 -0.30 0.00 0.82 0.00 0.00 66.70 65.31 2qq4 h VAL 3 Cb 0.00 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 2qq4 h VAL 3 CO 0.00 0.47 -2.24 0.18 0.02 0.00 0.00 177.57 175.99 2qq4 n LEU 4 N -3.44 0.00 -0.03 2.57 4.77 -1.26 -4.46 117.00 115.16 2qq4 n LEU 4 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2qq4 n LEU 4 Cb 0.62 0.41 0.57 0.00 -2.33 0.00 0.00 43.42 42.69 2qq4 n LEU 4 CO 0.39 0.41 1.21 -0.78 -1.33 0.00 0.00 177.39 177.28 2qq4 h ASP 5 N 0.00 0.00 0.00 -1.43 1.82 -2.07 0.52 116.42 115.26 2qq4 h ASP 5 Ca -0.45 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 2qq4 h ASP 5 Cb 2.01 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.01 2qq4 h ASP 5 CO 0.02 0.00 -0.20 -0.62 -1.61 0.00 0.00 179.24 176.83 2qq4 n GLU 6 N -3.39 1.25 -0.07 0.28 1.02 -1.26 -4.72 120.64 113.74 2qq4 n GLU 6 Ca 0.14 -2.66 -0.13 0.00 -0.02 0.00 0.00 57.16 54.49 2qq4 n GLU 6 Cb 1.06 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2qq4 n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2qq4 h LEU 7 N 0.31 0.90 -0.77 -4.62 5.85 -0.15 -3.08 115.31 113.75 2qq4 h LEU 7 Ca -0.01 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.33 2qq4 h LEU 7 Cb 1.05 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2qq4 h LEU 7 CO 0.00 1.22 0.45 1.88 -0.34 0.00 0.00 178.44 181.65 2qq4 h TYR 8 N 0.65 0.83 -0.47 1.25 0.05 -1.85 0.26 116.97 117.69 2qq4 h TYR 8 Ca 0.03 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.86 2qq4 h TYR 8 Cb 1.06 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.51 2qq4 h TYR 8 CO 0.06 0.39 0.28 -0.09 -1.05 0.00 0.00 178.16 177.75 2qq4 h ARG 9 N 0.81 0.54 -0.66 4.88 2.43 -1.89 0.37 114.38 120.86 2qq4 h ARG 9 Ca 0.34 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2qq4 h ARG 9 Cb 0.21 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2qq4 h ARG 9 CO -0.19 0.36 0.23 0.93 -1.51 0.00 0.00 179.97 179.78 2qq4 h GLU 10 N 0.55 1.00 -0.47 0.20 4.39 -1.18 0.24 114.58 119.31 2qq4 h GLU 10 Ca 0.19 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2qq4 h GLU 10 Cb 0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2qq4 h GLU 10 CO -0.09 0.86 0.28 0.82 -1.16 0.00 0.00 179.01 179.72 2qq4 h ILE 11 N 0.94 1.15 0.18 3.13 2.04 0.01 0.19 117.51 125.15 2qq4 h ILE 11 Ca 0.21 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2qq4 h ILE 11 Cb 0.26 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2qq4 h ILE 11 CO -0.01 0.15 -0.09 0.25 0.00 0.00 0.00 178.15 178.46 2qq4 h LEU 12 N 0.62 -0.20 -1.45 1.44 5.85 -0.55 -1.96 115.31 119.06 2qq4 h LEU 12 Ca 0.17 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2qq4 h LEU 12 Cb 0.00 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2qq4 h LEU 12 CO -0.03 -0.00 0.43 -0.07 -0.34 0.00 0.00 178.44 178.43 2qq4 h LEU 13 N -0.40 0.59 -0.69 2.25 3.38 -0.35 -1.25 115.31 118.84 2qq4 h LEU 13 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2qq4 h LEU 13 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qq4 h LEU 13 CO 0.04 0.39 -0.17 -0.78 0.09 0.00 0.00 178.44 178.01 2qq4 h ASP 14 N 0.68 0.84 0.76 -0.43 3.58 -0.38 -1.70 116.42 119.76 2qq4 h ASP 14 Ca 0.28 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 2qq4 h ASP 14 Cb 0.24 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2qq4 h ASP 14 CO -0.09 1.00 -0.63 0.45 -2.88 0.00 0.00 179.24 177.09 2qq4 h HIS 15 N 0.73 0.00 0.27 0.28 3.86 -0.51 0.22 115.15 120.01 2qq4 h HIS 15 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2qq4 h HIS 15 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2qq4 h HIS 15 CO 0.04 0.63 -0.13 -0.92 0.86 0.00 0.00 177.93 178.41 2qq4 h TYR 16 N 0.00 -0.34 0.07 2.45 3.20 -1.09 -1.90 116.97 119.37 2qq4 h TYR 16 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2qq4 h TYR 16 Cb 1.18 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 2qq4 h TYR 16 CO 0.00 0.01 -0.15 0.37 -1.64 0.00 0.00 178.16 176.75 2qq4 h GLN 17 N -0.75 -0.28 -2.43 1.82 5.75 -1.25 -3.34 115.11 114.64 2qq4 h GLN 17 Ca -0.04 0.02 -0.60 0.00 -0.15 0.00 0.00 58.65 57.88 2qq4 h GLN 17 Cb 0.50 0.06 -0.41 0.00 1.07 0.00 0.00 27.48 28.70 2qq4 h GLN 17 CO 0.06 -0.19 -0.66 0.43 -2.65 0.00 0.00 178.83 175.82 2qq4 n SER 18 N -5.28 2.95 -4.78 -0.69 7.64 0.76 -5.09 113.62 109.13 2qq4 n SER 18 Ca -0.06 -3.24 -0.41 0.00 1.01 0.00 0.00 58.87 56.16 2qq4 n SER 18 Cb 0.20 -0.69 -0.00 0.00 -1.01 0.00 0.00 64.21 62.71 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 1.32 2.70 -2.50 1.43 -0.04 -0.71 -4.59 135.00 132.60 2qq4 n PRO 19 Ca 0.26 0.95 -0.26 0.00 -0.04 0.00 0.00 63.50 64.41 2qq4 n PRO 19 Cb 0.41 -2.68 0.03 0.00 -0.04 0.00 0.00 33.50 31.21 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 -2.08 3.01 -0.75 0.54 3.00 -1.26 -4.32 118.95 117.10 2qq4 s ARG 20 Ca 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 55.73 56.19 2qq4 s ARG 20 Cb -0.47 -2.32 0.02 0.00 0.00 0.00 0.00 34.95 32.18 2qq4 s ARG 20 CO 0.64 -0.59 0.10 0.09 0.00 0.00 0.00 175.30 175.54 2qq4 n ASN 21 N -2.48 -2.75 -4.68 0.23 4.13 -1.26 -4.69 115.26 103.76 2qq4 n ASN 21 Ca 0.04 0.15 -0.41 0.00 1.68 0.00 0.00 54.58 56.04 2qq4 n ASN 21 Cb 0.57 -2.38 -0.04 0.00 -1.54 0.00 0.00 39.78 36.40 2qq4 n ASN 21 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2qq4 s PHE 22 N -2.47 3.46 -3.19 3.10 5.36 -1.26 -2.17 117.98 120.81 2qq4 s PHE 22 Ca 0.10 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 2qq4 s PHE 22 Cb -0.05 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 2qq4 s PHE 22 CO 0.12 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 174.10 2qq4 n GLY 23 N 3.35 -0.13 3.14 13.12 0.00 -1.03 -4.92 105.19 118.73 2qq4 n GLY 23 Ca 0.04 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.00 0.60 -0.55 1.61 1.01 -1.26 -4.02 120.40 113.79 2qq4 s VAL 24 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 61.98 60.27 2qq4 s VAL 24 Cb 0.00 -1.47 0.24 0.00 0.00 0.00 0.00 36.38 35.15 2qq4 s VAL 24 CO 0.00 -0.81 0.63 0.18 0.00 0.00 0.00 175.10 175.10 2qq4 n LEU 25 N 0.24 2.25 -4.58 3.92 4.77 -1.26 -4.98 117.00 117.35 2qq4 n LEU 25 Ca -0.14 -5.11 -0.52 0.00 -0.03 0.00 0.00 56.01 50.21 2qq4 n LEU 25 Cb 0.60 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2qq4 n LEU 25 CO 0.28 2.03 0.81 -2.65 -1.33 0.00 0.00 177.39 176.53 2qq4 n PRO 26 N 1.23 1.05 -2.51 3.23 -0.02 -1.26 -1.58 135.00 135.14 2qq4 n PRO 26 Ca 0.26 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2qq4 n PRO 26 Cb 0.45 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 2qq4 n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qq4 n GLN 27 N 2.19 -1.63 -2.86 -0.52 1.13 -1.26 -5.03 117.38 109.41 2qq4 n GLN 27 Ca 0.17 0.19 -0.40 0.00 -1.94 0.00 0.00 57.00 55.03 2qq4 n GLN 27 Cb 0.20 -3.26 -0.06 0.00 0.11 0.00 0.00 30.24 27.23 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qq4 s ALA 28 N -3.08 3.39 0.32 -1.58 0.00 -0.62 -4.93 121.76 115.27 2qq4 s ALA 28 Ca 0.06 0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.63 2qq4 s ALA 28 Cb -0.03 -3.10 0.92 0.00 0.00 0.00 0.00 23.12 20.91 2qq4 s ALA 28 CO 0.16 0.25 1.72 1.15 0.00 0.00 0.00 175.76 179.04 2qq4 h THR 29 N 3.24 0.51 -2.55 0.00 2.02 -1.46 -3.43 112.91 111.23 2qq4 h THR 29 Ca -0.46 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2qq4 h THR 29 Cb 1.20 -0.09 -0.15 0.00 -1.74 0.00 0.00 68.15 67.38 2qq4 h THR 29 CO 0.67 0.10 0.26 -1.59 0.37 0.00 0.00 175.52 175.34 2qq4 s LYS 30 N -5.75 1.12 0.13 6.66 0.00 -1.22 -5.00 119.74 115.67 2qq4 s LYS 30 Ca -0.11 -0.22 0.01 0.00 0.00 0.00 0.00 55.97 55.65 2qq4 s LYS 30 Cb 0.27 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.58 2qq4 s LYS 30 CO 0.80 -0.45 -0.00 -1.14 0.00 0.00 0.00 175.35 174.55 2qq4 s GLN 31 N -2.84 0.93 -0.19 1.78 0.74 -1.26 -2.20 119.66 116.61 2qq4 s GLN 31 Ca -0.02 -1.42 -0.28 0.00 0.05 0.00 0.00 55.36 53.70 2qq4 s GLN 31 Cb -0.01 -0.05 0.09 0.00 1.10 0.00 0.00 33.01 34.14 2qq4 s GLN 31 CO -0.06 -0.14 0.82 0.00 -0.55 0.00 0.00 175.29 175.37 2qq4 s ALA 32 N -3.79 -1.84 0.19 1.58 0.00 -0.00 -4.55 121.76 113.35 2qq4 s ALA 32 Ca 0.19 1.72 0.11 0.00 0.00 0.00 0.00 51.96 53.98 2qq4 s ALA 32 Cb 0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2qq4 s ALA 32 CO -0.01 -0.32 -0.24 0.20 0.00 0.00 0.00 175.76 175.40 2qq4 s GLY 33 N -0.34 1.67 0.11 0.00 0.00 -1.26 0.11 107.32 107.61 2qq4 s GLY 33 Ca -0.03 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.09 2qq4 s GLY 33 CO 0.02 -1.64 -0.02 -0.32 0.00 0.00 0.00 173.10 171.14 2qq4 s GLY 34 N -2.63 0.87 -0.29 0.20 0.00 0.15 -4.85 107.32 100.77 2qq4 s GLY 34 Ca 0.20 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.35 2qq4 s GLY 34 CO 0.09 -1.43 0.89 -3.16 0.00 0.00 0.00 173.10 169.49 2qq4 s MET 35 N -3.91 0.47 -0.24 2.90 0.23 -1.26 -1.37 119.30 116.12 2qq4 s MET 35 Ca 0.16 0.83 0.01 0.00 -1.03 0.00 0.00 55.69 55.66 2qq4 s MET 35 Cb 0.06 0.11 0.06 0.00 -1.53 0.00 0.00 34.83 33.53 2qq4 s MET 35 CO -0.02 -0.10 -0.05 0.54 -2.03 0.00 0.00 175.02 173.36 2qq4 s ASN 36 N 1.46 3.87 0.06 -1.18 6.03 -1.03 -4.99 114.94 119.15 2qq4 s ASN 36 Ca -0.09 -1.19 0.07 0.00 -1.03 0.00 0.00 52.86 50.62 2qq4 s ASN 36 Cb -0.04 -1.18 0.35 0.00 -3.03 0.00 0.00 41.25 37.35 2qq4 s ASN 36 CO -0.16 -0.24 1.23 -0.81 -2.03 0.00 0.00 177.10 175.09 2qq4 n PRO 37 N 4.67 0.03 -0.03 3.55 -0.04 -1.26 -1.67 135.00 140.25 2qq4 n PRO 37 Ca -0.12 0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2qq4 n PRO 37 Cb 0.44 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2qq4 n PRO 37 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qq4 h SER 38 N 0.00 -0.14 0.00 3.54 0.87 -1.96 -3.26 113.55 112.60 2qq4 h SER 38 Ca 0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2qq4 h SER 38 Cb 0.08 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2qq4 h SER 38 CO 0.00 -0.05 -1.67 0.00 -0.53 0.00 0.00 176.83 174.59 2qq4 n GLY 40 N 1.79 1.33 3.84 0.00 0.00 -0.67 -4.92 105.19 106.56 2qq4 n GLY 40 Ca -0.05 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.30 6.83 -0.01 1.61 1.01 -1.12 -4.77 116.67 117.93 2qq4 s ASP 41 Ca 0.00 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.48 2qq4 s ASP 41 Cb 0.00 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2qq4 s ASP 41 CO 0.00 -0.06 -0.03 -1.10 0.21 0.00 0.00 175.17 174.19 2qq4 s GLN 42 N -2.49 0.25 -0.01 8.23 -0.21 -0.67 -2.46 119.66 122.30 2qq4 s GLN 42 Ca 0.47 -0.08 -0.05 0.00 0.02 0.00 0.00 55.36 55.71 2qq4 s GLN 42 Cb -0.13 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.62 2qq4 s GLN 42 CO 0.19 0.04 0.11 0.08 -2.12 0.00 0.00 175.29 173.59 2qq4 s VAL 43 N 0.07 0.06 -0.12 1.09 1.01 -0.47 -3.08 120.40 118.96 2qq4 s VAL 43 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2qq4 s VAL 43 Cb -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2qq4 s VAL 43 CO -0.00 -0.26 -0.11 -1.61 0.00 0.00 0.00 175.10 173.12 2qq4 s GLU 44 N -0.86 1.87 -0.11 2.72 2.02 -0.15 -0.68 118.70 123.51 2qq4 s GLU 44 Ca -0.09 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2qq4 s GLU 44 Cb -0.05 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 2qq4 s GLU 44 CO 0.01 -0.19 -0.14 0.08 0.02 0.00 0.00 175.26 175.04 2qq4 s VAL 45 N 1.40 2.98 -0.04 2.63 1.01 0.12 -0.22 120.40 128.27 2qq4 s VAL 45 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2qq4 s VAL 45 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2qq4 s VAL 45 CO -0.06 0.54 -0.07 -0.04 0.00 0.00 0.00 175.10 175.47 2qq4 s MET 46 N 0.13 0.96 0.06 2.72 -1.94 -0.68 -0.82 119.30 119.74 2qq4 s MET 46 Ca -0.07 -0.21 0.05 0.00 -1.71 0.00 0.00 55.69 53.75 2qq4 s MET 46 Cb -0.15 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 2qq4 s MET 46 CO 0.05 0.00 -0.15 0.14 -0.01 0.00 0.00 175.02 175.05 2qq4 s VAL 47 N 0.60 1.19 -0.51 -6.03 -7.23 -0.94 -1.70 120.40 105.78 2qq4 s VAL 47 Ca -0.09 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2qq4 s VAL 47 Cb -0.12 -1.11 0.11 0.00 0.56 0.00 0.00 36.38 35.82 2qq4 s VAL 47 CO 0.01 -0.13 0.44 -0.76 -0.31 0.00 0.00 175.10 174.35 2qq4 s LEU 48 N -1.56 5.93 -0.93 1.32 1.02 0.19 -1.12 118.68 123.52 2qq4 s LEU 48 Ca 0.00 -1.71 -0.14 0.00 0.02 0.00 0.00 54.13 52.30 2qq4 s LEU 48 Cb -0.09 -2.15 0.21 0.00 0.02 0.00 0.00 46.19 44.18 2qq4 s LEU 48 CO 0.02 -0.77 0.95 -0.76 0.02 0.00 0.00 176.35 175.81 2qq4 s LEU 49 N 1.55 6.24 -1.22 1.79 1.43 -1.26 0.19 118.68 127.40 2qq4 s LEU 49 Ca 0.04 -2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 50.25 2qq4 s LEU 49 Cb -0.28 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 2qq4 s LEU 49 CO 0.03 -0.62 2.37 -0.62 0.23 0.00 0.00 176.35 177.74 2qq4 n GLU 50 N 4.32 2.65 0.00 1.70 1.02 -0.90 -4.71 120.64 124.71 2qq4 n GLU 50 Ca 0.19 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 2qq4 n GLU 50 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 2qq4 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qq4 n GLY 51 N 3.90 0.97 0.31 0.62 0.00 -1.26 -4.22 105.19 105.50 2qq4 n GLY 51 Ca 0.58 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2qq4 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qq4 n ASP 52 N 0.00 1.47 -4.54 1.61 5.68 -1.26 -5.00 116.55 114.51 2qq4 n ASP 52 Ca 0.00 -1.23 -0.30 0.00 -0.50 0.00 0.00 54.79 52.75 2qq4 n ASP 52 Cb 0.00 0.31 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 2qq4 n ASP 52 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2qq4 s THR 53 N -1.23 3.20 -1.07 2.12 2.01 -1.26 -2.18 115.64 117.23 2qq4 s THR 53 Ca 0.10 -1.20 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 2qq4 s THR 53 Cb 0.09 -2.44 0.09 0.00 0.01 0.00 0.00 72.50 70.25 2qq4 s THR 53 CO 0.22 0.21 1.41 -0.63 -0.69 0.00 0.00 174.62 175.14 2qq4 s ILE 54 N -1.10 4.33 0.10 1.82 1.01 -0.47 -2.12 121.20 124.78 2qq4 s ILE 54 Ca 0.19 -1.45 -0.34 0.00 0.00 0.00 0.00 60.65 59.04 2qq4 s ILE 54 Cb -0.11 -4.99 -0.14 0.00 0.01 0.00 0.00 42.46 37.23 2qq4 s ILE 54 CO 0.10 -1.79 1.56 0.00 0.00 0.00 0.00 174.94 174.81 2qq4 h ALA 55 N 8.77 -0.98 -2.38 9.38 0.00 0.17 1.76 119.26 135.98 2qq4 h ALA 55 Ca 0.25 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2qq4 h ALA 55 Cb 0.97 0.86 -0.15 0.00 0.00 0.00 0.00 17.79 19.47 2qq4 h ALA 55 CO 1.32 -1.12 -0.65 0.34 0.00 0.00 0.00 179.25 179.14 2qq4 s ASP 56 N -4.64 0.35 -0.11 0.00 3.68 -1.21 -3.93 116.67 110.80 2qq4 s ASP 56 Ca -0.17 -1.14 -0.27 0.00 2.13 0.00 0.00 52.55 53.10 2qq4 s ASP 56 Cb 0.06 0.27 0.06 0.00 -1.45 0.00 0.00 42.92 41.87 2qq4 s ASP 56 CO 0.61 -0.70 0.65 -0.51 0.13 0.00 0.00 175.17 175.35 2qq4 s ILE 57 N -4.01 0.00 0.09 4.11 2.07 -1.26 0.52 121.20 122.73 2qq4 s ILE 57 Ca 0.19 -0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.27 2qq4 s ILE 57 Cb 0.08 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.73 2qq4 s ILE 57 CO -0.02 -0.02 0.29 -0.13 -1.91 0.00 0.00 174.94 173.15 2qq4 s ARG 58 N -0.69 0.91 0.06 3.50 0.52 -0.69 -4.80 118.95 117.74 2qq4 s ARG 58 Ca -0.08 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 2qq4 s ARG 58 Cb -0.02 0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 2qq4 s ARG 58 CO 0.07 -0.31 -0.12 -0.59 0.02 0.00 0.00 175.30 174.37 2qq4 s PHE 59 N -3.51 1.01 0.38 -0.53 -0.12 -0.92 -1.68 117.98 112.61 2qq4 s PHE 59 Ca 0.02 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 2qq4 s PHE 59 Cb 0.02 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.83 2qq4 s PHE 59 CO -0.09 0.00 0.06 1.04 -0.05 0.00 0.00 175.22 176.18 2qq4 n GLN 60 N 1.46 0.81 0.00 1.99 1.13 0.69 -2.46 117.38 121.01 2qq4 n GLN 60 Ca -0.21 -2.94 0.00 0.00 -1.94 0.00 0.00 57.00 51.91 2qq4 n GLN 60 Cb 0.54 1.20 0.00 0.00 0.11 0.00 0.00 30.24 32.09 2qq4 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qq4 n GLY 61 N -0.12 2.07 3.77 1.08 0.00 -1.26 -0.98 105.19 109.75 2qq4 n GLY 61 Ca -0.11 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 2qq4 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qq4 s GLN 62 N -3.88 3.18 0.19 1.61 -0.21 -1.18 -4.86 119.66 114.52 2qq4 s GLN 62 Ca 0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 55.36 54.95 2qq4 s GLN 62 Cb 0.00 -2.97 0.05 0.00 1.00 0.00 0.00 33.01 31.09 2qq4 s GLN 62 CO 0.00 0.73 0.67 0.41 -2.12 0.00 0.00 175.29 174.99 2qq4 n GLY 63 N 2.03 0.97 3.55 3.09 0.00 -1.26 -1.67 105.19 111.90 2qq4 n GLY 63 Ca -0.19 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.79 0.83 -0.34 0.00 0.00 -1.99 -1.97 119.26 113.00 2qq4 h ALA 65 Ca -0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2qq4 h ALA 65 Cb 1.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qq4 h ALA 65 CO 0.29 0.40 0.11 0.82 0.00 0.00 0.00 179.25 180.87 2qq4 h ILE 66 N 0.89 1.21 -0.70 0.00 2.04 -1.94 0.66 117.51 119.67 2qq4 h ILE 66 Ca 0.22 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qq4 h ILE 66 Cb 0.13 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2qq4 h ILE 66 CO -0.03 0.23 0.35 -1.28 0.00 0.00 0.00 178.15 177.42 2qq4 h SER 67 N 0.40 0.88 0.24 1.72 0.87 -1.66 0.14 113.55 116.13 2qq4 h SER 67 Ca 0.11 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2qq4 h SER 67 Cb 0.25 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2qq4 h SER 67 CO -0.00 0.73 -0.11 0.74 -0.53 0.00 0.00 176.83 177.66 2qq4 h THR 68 N 0.98 0.81 -0.23 2.23 2.02 -1.02 -1.92 112.91 115.78 2qq4 h THR 68 Ca 0.24 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2qq4 h THR 68 Cb 0.07 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2qq4 h THR 68 CO -0.03 0.15 0.10 0.00 0.37 0.00 0.00 175.52 176.10 2qq4 h ALA 69 N -0.10 0.27 0.14 6.16 0.00 -0.72 -0.81 119.26 124.20 2qq4 h ALA 69 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qq4 h ALA 69 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2qq4 h ALA 69 CO 0.05 -0.31 -0.37 1.03 0.00 0.00 0.00 179.25 179.65 2qq4 h SER 70 N 0.22 -1.07 0.01 0.00 0.87 -0.76 0.26 113.55 113.07 2qq4 h SER 70 Ca 0.10 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2qq4 h SER 70 Cb 0.04 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2qq4 h SER 70 CO -0.08 -0.46 -0.00 0.00 -0.53 0.00 0.00 176.83 175.76 2qq4 h ALA 71 N -0.06 1.67 0.33 6.23 0.00 -1.17 0.44 119.26 126.70 2qq4 h ALA 71 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qq4 h ALA 71 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qq4 h ALA 71 CO -0.20 0.01 -0.16 1.03 0.00 0.00 0.00 179.25 179.92 2qq4 h SER 72 N 0.00 -0.38 -0.70 0.00 0.87 0.38 -2.56 113.55 111.17 2qq4 h SER 72 Ca -0.00 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 60.61 2qq4 h SER 72 Cb 0.01 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2qq4 h SER 72 CO 0.00 0.09 0.47 -0.07 -0.53 0.00 0.00 176.83 176.79 2qq4 h LEU 73 N -1.04 0.30 0.91 2.23 3.38 -0.10 -2.51 115.31 118.47 2qq4 h LEU 73 Ca -0.05 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2qq4 h LEU 73 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2qq4 h LEU 73 CO 0.07 0.16 -0.44 -0.03 0.09 0.00 0.00 178.44 178.30 2qq4 h MET 74 N 0.32 -1.18 -0.76 1.13 4.05 -0.09 -2.14 114.93 116.27 2qq4 h MET 74 Ca 0.34 0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.90 2qq4 h MET 74 Cb 0.88 0.27 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 2qq4 h MET 74 CO -0.09 -0.78 0.50 1.79 0.23 0.00 0.00 176.91 178.56 2qq4 h THR 75 N -1.28 1.03 -0.11 -0.77 1.35 -1.03 -1.70 112.91 110.39 2qq4 h THR 75 Ca -0.12 -0.28 -0.11 0.00 -0.55 0.00 0.00 66.41 65.35 2qq4 h THR 75 Cb 0.94 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 2qq4 h THR 75 CO 0.20 0.15 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.88 2qq4 h GLU 76 N 0.81 0.25 0.00 4.72 5.08 -1.44 -0.95 114.58 123.05 2qq4 h GLU 76 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2qq4 h GLU 76 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2qq4 h GLU 76 CO -0.11 0.63 -0.07 0.00 -1.00 0.00 0.00 179.01 178.45 2qq4 h ALA 77 N 1.36 0.95 0.00 3.43 0.00 -0.64 -3.37 119.26 121.00 2qq4 h ALA 77 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2qq4 h ALA 77 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2qq4 h ALA 77 CO 0.06 0.00 -1.65 0.28 0.00 0.00 0.00 179.25 177.94 2qq4 n VAL 78 N -2.39 0.56 -1.69 0.00 0.31 -0.78 -4.93 118.33 109.42 2qq4 n VAL 78 Ca 0.05 -0.39 -0.44 0.00 -0.01 0.00 0.00 64.34 63.55 2qq4 n VAL 78 Cb 0.45 -0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 2qq4 n VAL 78 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qq4 n LYS 79 N -2.28 2.22 -0.99 5.55 4.81 -0.38 -1.67 118.16 125.42 2qq4 n LYS 79 Ca -0.14 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2qq4 n LYS 79 Cb 0.73 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 2.42 0.66 3.87 3.14 0.00 0.60 -5.02 105.19 110.85 2qq4 n GLY 80 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.10 3.09 0.64 1.61 -0.14 -0.67 -4.76 119.74 119.41 2qq4 s LYS 81 Ca 0.00 -0.92 -0.17 0.00 -1.36 0.00 0.00 55.97 53.52 2qq4 s LYS 81 Cb 0.00 -2.69 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 2qq4 s LYS 81 CO 0.00 0.43 1.20 0.15 -0.76 0.00 0.00 175.35 176.37 2qq4 s LYS 82 N -3.71 2.72 0.16 1.68 -0.14 -1.26 -1.37 119.74 117.82 2qq4 s LYS 82 Ca 0.33 1.77 -0.19 0.00 -1.36 0.00 0.00 55.97 56.51 2qq4 s LYS 82 Cb -0.09 -1.90 0.06 0.00 -1.68 0.00 0.00 37.83 34.22 2qq4 s LYS 82 CO 0.26 -1.39 1.65 0.28 -0.76 0.00 0.00 175.35 175.40 2qq4 h VAL 83 N 0.47 0.53 -1.00 3.17 2.07 -1.80 -1.09 116.25 118.59 2qq4 h VAL 83 Ca -0.49 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2qq4 h VAL 83 Cb 1.29 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2qq4 h VAL 83 CO 0.53 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.78 2qq4 h ALA 84 N 1.16 1.39 -0.46 1.67 0.00 -1.91 -1.89 119.26 119.21 2qq4 h ALA 84 Ca 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qq4 h ALA 84 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qq4 h ALA 84 CO -0.39 0.48 0.30 0.93 0.00 0.00 0.00 179.25 180.57 2qq4 h GLU 85 N 1.21 0.60 -0.39 0.00 5.08 -1.59 -0.14 114.58 119.34 2qq4 h GLU 85 Ca 0.42 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 2qq4 h GLU 85 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qq4 h GLU 85 CO -0.16 0.40 0.25 0.00 -1.00 0.00 0.00 179.01 178.50 2qq4 h ALA 86 N 1.17 0.49 -0.13 3.43 0.00 -0.57 -1.51 119.26 122.15 2qq4 h ALA 86 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2qq4 h ALA 86 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qq4 h ALA 86 CO -0.04 -0.08 -0.20 -0.07 0.00 0.00 0.00 179.25 178.87 2qq4 h LEU 87 N 0.50 0.20 -0.49 0.00 3.38 -1.07 0.82 115.31 118.65 2qq4 h LEU 87 Ca 0.15 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qq4 h LEU 87 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qq4 h LEU 87 CO -0.05 0.42 0.15 -0.33 0.09 0.00 0.00 178.44 178.72 2qq4 h GLU 88 N 0.20 0.76 -0.38 1.13 4.39 -0.40 -0.83 114.58 119.45 2qq4 h GLU 88 Ca 0.04 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 2qq4 h GLU 88 Cb 0.47 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2qq4 h GLU 88 CO 0.03 0.72 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.33 2qq4 h LEU 89 N 0.66 0.72 -0.60 1.33 3.38 -0.65 -1.66 115.31 118.49 2qq4 h LEU 89 Ca 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2qq4 h LEU 89 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qq4 h LEU 89 CO -0.01 0.91 0.32 -1.28 0.09 0.00 0.00 178.44 178.48 2qq4 h SER 90 N 0.64 0.76 -0.11 -0.43 0.87 -0.40 0.17 113.55 115.04 2qq4 h SER 90 Ca 0.10 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2qq4 h SER 90 Cb 0.68 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2qq4 h SER 90 CO 0.05 0.64 0.03 -0.09 -0.53 0.00 0.00 176.83 176.93 2qq4 h ARG 91 N 0.81 0.17 -0.98 2.24 2.43 -0.92 -1.11 114.38 117.03 2qq4 h ARG 91 Ca 0.21 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2qq4 h ARG 91 Cb 0.06 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2qq4 h ARG 91 CO -0.03 0.34 0.64 0.87 -1.51 0.00 0.00 179.97 180.27 2qq4 h LYS 92 N -0.03 1.18 -0.00 0.20 1.57 -1.08 0.94 116.57 119.34 2qq4 h LYS 92 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qq4 h LYS 92 Cb 0.24 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2qq4 h LYS 92 CO 0.00 0.78 0.00 0.35 -0.57 0.00 0.00 179.45 180.01 2qq4 h PHE 93 N 1.21 0.01 -0.82 -1.35 3.57 -0.49 -2.01 116.94 117.07 2qq4 h PHE 93 Ca 0.40 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 2qq4 h PHE 93 Cb 0.04 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2qq4 h PHE 93 CO -0.01 0.29 0.50 1.96 -2.23 0.00 0.00 178.31 178.82 2qq4 h GLN 94 N -0.28 1.10 -0.73 1.11 4.20 -0.87 -1.07 115.11 118.57 2qq4 h GLN 94 Ca 0.00 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2qq4 h GLN 94 Cb 0.29 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2qq4 h GLN 94 CO 0.00 0.77 0.48 0.00 -0.67 0.00 0.00 178.83 179.41 2qq4 h ALA 95 N 1.42 1.52 0.18 3.87 0.00 -0.64 0.41 119.26 126.02 2qq4 h ALA 95 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qq4 h ALA 95 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2qq4 h ALA 95 CO -0.06 0.43 -0.09 1.98 0.00 0.00 0.00 179.25 181.52 2qq4 h MET 96 N 0.95 -0.23 0.15 0.00 1.85 -0.48 -1.35 114.93 115.81 2qq4 h MET 96 Ca 0.28 0.02 -0.21 0.00 -0.61 0.00 0.00 59.70 59.17 2qq4 h MET 96 Cb -0.05 0.05 0.02 0.00 0.43 0.00 0.00 31.60 32.06 2qq4 h MET 96 CO -0.07 0.16 -0.95 -0.39 -0.40 0.00 0.00 176.91 175.26 2qq4 h VAL 97 N -0.73 1.43 0.30 -5.77 -1.51 -1.06 -2.94 116.25 105.96 2qq4 h VAL 97 Ca -0.02 -2.53 -0.01 0.00 -1.23 0.00 0.00 66.70 62.90 2qq4 h VAL 97 Cb 0.51 3.12 0.00 0.00 -2.13 0.00 0.00 31.29 32.79 2qq4 h VAL 97 CO 0.04 0.72 -0.15 0.58 -1.23 0.00 0.00 177.57 177.54 2qq4 h VAL 98 N -0.32 0.05 -0.00 7.19 2.07 -0.38 -3.36 116.25 121.50 2qq4 h VAL 98 Ca -0.17 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2qq4 h VAL 98 Cb 1.70 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2qq4 h VAL 98 CO 0.15 0.01 -0.14 -0.62 0.02 0.00 0.00 177.57 176.99 2qq4 n GLU 99 N -5.05 0.57 -2.43 1.57 4.71 -1.19 -4.93 120.64 113.89 2qq4 n GLU 99 Ca -0.05 -0.20 -0.20 0.00 -0.01 0.00 0.00 57.16 56.69 2qq4 n GLU 99 Cb 0.17 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.10 2qq4 n GLU 99 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qq4 n GLY 100 N 1.32 -0.44 3.85 0.62 0.00 -1.00 -4.98 105.19 104.56 2qq4 n GLY 100 Ca 0.13 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2qq4 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 s ALA 101 N -2.99 2.99 -0.14 4.61 0.00 -0.54 -4.92 121.76 120.76 2qq4 s ALA 101 Ca 0.03 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 51.66 2qq4 s ALA 101 Cb -0.01 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 2qq4 s ALA 101 CO 0.03 -0.75 1.95 -2.30 0.00 0.00 0.00 175.76 174.70 2qq4 n PRO 102 N -2.64 2.02 -1.65 0.00 -0.02 -1.26 -4.44 135.00 127.02 2qq4 n PRO 102 Ca 0.07 0.71 -0.47 0.00 -2.02 0.00 0.00 63.50 61.79 2qq4 n PRO 102 Cb 0.54 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 2qq4 n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qq4 n PRO 103 N 7.05 1.84 -2.24 0.52 -0.04 -1.26 -4.89 135.00 135.98 2qq4 n PRO 103 Ca 0.26 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.95 2qq4 n PRO 103 Cb 0.30 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 2qq4 n PRO 103 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2qq4 s ASP 104 N 0.55 6.55 0.61 3.54 -1.08 -1.26 -4.87 116.67 120.71 2qq4 s ASP 104 Ca 0.76 1.54 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 2qq4 s ASP 104 Cb -0.73 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 39.50 2qq4 s ASP 104 CO 0.44 -1.13 1.72 -0.65 0.52 0.00 0.00 175.17 176.08 2qq4 h PRO 105 N 9.92 0.00 0.00 4.34 0.11 -1.98 0.32 132.00 144.71 2qq4 h PRO 105 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qq4 h PRO 105 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qq4 h PRO 105 CO 1.01 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 181.21 2qq4 n THR 106 N -3.44 1.49 0.34 -1.15 -1.04 -1.26 -2.09 114.28 107.12 2qq4 n THR 106 Ca 0.10 0.40 0.14 0.00 -2.04 0.00 0.00 64.05 62.65 2qq4 n THR 106 Cb 0.85 -1.29 0.50 0.00 -1.82 0.00 0.00 70.33 68.58 2qq4 n THR 106 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qq4 h LEU 107 N 0.00 0.00 0.00 -4.42 3.38 -0.74 -3.48 115.31 110.05 2qq4 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 107 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qq4 h LEU 107 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qq4 n GLY 108 N 0.40 3.06 0.52 0.83 0.00 -0.89 -1.96 105.19 107.15 2qq4 n GLY 108 Ca 0.02 -0.14 0.35 0.00 0.00 0.00 0.00 46.02 46.24 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 2.04 0.11 -0.18 1.61 3.45 -1.93 -0.91 116.42 120.60 2qq4 h ASP 109 Ca 0.00 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.54 2qq4 h ASP 109 Cb 0.00 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2qq4 h ASP 109 CO 0.00 0.00 0.30 -0.07 -1.57 0.00 0.00 179.24 177.90 2qq4 h LEU 110 N 0.08 0.00 -0.40 1.55 3.38 -1.75 0.10 115.31 118.28 2qq4 h LEU 110 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 2qq4 h LEU 110 Cb 2.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.03 2qq4 h LEU 110 CO -0.10 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.61 2qq4 n LEU 111 N -3.43 0.18 0.27 1.67 4.77 -0.35 -1.42 117.00 118.70 2qq4 n LEU 111 Ca 0.02 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 2qq4 n LEU 111 Cb 0.41 -0.59 0.75 0.00 -2.33 0.00 0.00 43.42 41.67 2qq4 n LEU 111 CO 0.22 -0.58 1.03 0.00 -1.33 0.00 0.00 177.39 176.73 2qq4 h ALA 112 N 2.09 1.52 -0.33 -1.18 0.00 -1.01 -1.50 119.26 118.84 2qq4 h ALA 112 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qq4 h ALA 112 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qq4 h ALA 112 CO 0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2qq4 n LEU 113 N -3.92 2.90 -0.33 0.00 4.77 -0.51 -4.48 117.00 115.43 2qq4 n LEU 113 Ca -0.02 -1.25 0.25 0.00 -0.03 0.00 0.00 56.01 54.96 2qq4 n LEU 113 Cb 0.16 -0.21 0.54 0.00 -2.33 0.00 0.00 43.42 41.59 2qq4 n LEU 113 CO 0.30 0.62 1.23 -0.61 -1.33 0.00 0.00 177.39 177.61 2qq4 h GLN 114 N 3.75 0.32 0.00 3.23 4.15 -1.41 0.59 115.11 125.74 2qq4 h GLN 114 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2qq4 h GLN 114 Cb 0.83 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2qq4 h GLN 114 CO 0.00 0.21 0.00 0.78 -1.93 0.00 0.00 178.83 177.89 2qq4 h GLY 115 N 0.33 0.00 2.00 2.39 0.00 -1.81 -2.53 103.07 103.45 2qq4 h GLY 115 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 2qq4 h GLY 115 CO -0.27 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.15 2qq4 h VAL 116 N 0.00 0.15 0.00 4.60 2.07 -1.23 -2.10 116.25 119.74 2qq4 h VAL 116 Ca 0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2qq4 h VAL 116 Cb 0.18 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2qq4 h VAL 116 CO 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 177.57 177.59 2qq4 h ALA 117 N 1.96 1.25 -0.16 1.67 0.00 -1.60 0.43 119.26 122.80 2qq4 h ALA 117 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qq4 h ALA 117 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qq4 h ALA 117 CO 0.01 0.04 0.00 1.17 0.00 0.00 0.00 179.25 180.47 2qq4 n LYS 118 N -3.48 1.84 -3.83 0.00 3.00 -0.79 -4.59 118.16 110.31 2qq4 n LYS 118 Ca -0.02 -1.25 -0.28 0.00 -0.00 0.00 0.00 58.31 56.76 2qq4 n LYS 118 Cb 0.14 -1.43 -0.12 0.00 0.00 0.00 0.00 35.03 33.63 2qq4 n LYS 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qq4 s LEU 119 N -1.65 4.23 0.32 3.14 1.43 0.14 -4.96 118.68 121.33 2qq4 s LEU 119 Ca 0.34 -3.62 0.10 0.00 -1.03 0.00 0.00 54.13 49.91 2qq4 s LEU 119 Cb 0.19 -1.45 0.88 0.00 0.03 0.00 0.00 46.19 45.84 2qq4 s LEU 119 CO 0.28 -0.12 1.74 -0.65 0.23 0.00 0.00 176.35 177.83 2qq4 h PRO 120 N 5.59 0.58 0.00 1.29 0.11 -1.81 0.11 132.00 137.87 2qq4 h PRO 120 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2qq4 h PRO 120 Cb 0.79 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2qq4 h PRO 120 CO 0.66 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 2qq4 n ALA 121 N -2.32 1.86 0.03 -0.75 0.00 -1.26 -3.36 120.51 114.70 2qq4 n ALA 121 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.68 2qq4 n ALA 121 Cb 0.73 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.87 2qq4 n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qq4 n ARG 122 N -1.70 1.20 -0.27 0.00 5.12 0.35 -4.72 116.66 116.65 2qq4 n ARG 122 Ca 0.04 -1.14 -0.05 0.00 -1.93 0.00 0.00 57.85 54.78 2qq4 n ARG 122 Cb 0.24 -1.05 0.06 0.00 -1.16 0.00 0.00 32.46 30.55 2qq4 n ARG 122 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qq4 h VAL 123 N 0.41 1.19 0.00 1.55 2.07 -1.45 -2.11 116.25 117.91 2qq4 h VAL 123 Ca 0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2qq4 h VAL 123 Cb 0.33 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2qq4 h VAL 123 CO 0.00 0.18 -0.17 0.11 0.02 0.00 0.00 177.57 177.71 2qq4 h LYS 124 N 1.00 0.00 -0.36 1.57 1.57 -1.84 -2.02 116.57 116.48 2qq4 h LYS 124 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2qq4 h LYS 124 Cb -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2qq4 h LYS 124 CO -0.06 0.17 0.20 0.00 -0.57 0.00 0.00 179.45 179.20 2qq4 h ALA 126 N 1.06 0.30 0.00 0.00 0.00 -1.46 -3.32 119.26 115.85 2qq4 h ALA 126 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qq4 h ALA 126 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qq4 h ALA 126 CO -0.02 0.76 0.00 1.79 0.00 0.00 0.00 179.25 181.78 2qq4 h THR 127 N 0.31 0.00 -0.19 0.00 1.35 -1.30 -3.37 112.91 109.70 2qq4 h THR 127 Ca -0.09 -0.69 0.05 0.00 -0.55 0.00 0.00 66.41 65.13 2qq4 h THR 127 Cb 1.59 1.69 -0.06 0.00 -1.73 0.00 0.00 68.15 69.64 2qq4 h THR 127 CO 0.17 0.00 -0.19 0.25 -0.25 0.00 0.00 175.52 175.51 2qq4 h LEU 128 N 0.00 -0.60 -1.24 3.87 5.85 -1.26 -0.51 115.31 121.42 2qq4 h LEU 128 Ca 0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2qq4 h LEU 128 Cb 0.85 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2qq4 h LEU 128 CO 0.00 -0.23 0.54 0.00 -0.34 0.00 0.00 178.44 178.41 2qq4 h ALA 129 N 0.86 1.57 -0.34 1.25 0.00 -1.80 -1.80 119.26 119.00 2qq4 h ALA 129 Ca 0.12 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2qq4 h ALA 129 Cb 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qq4 h ALA 129 CO -0.31 0.31 -0.44 -1.49 0.00 0.00 0.00 179.25 177.32 2qq4 h TRP 130 N 0.94 1.07 -0.38 0.00 4.06 -1.54 -0.45 115.95 119.65 2qq4 h TRP 130 Ca 0.35 -0.34 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 2qq4 h TRP 130 Cb 0.18 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 2qq4 h TRP 130 CO -0.00 1.15 -0.06 0.45 -3.56 0.00 0.00 178.44 176.42 2qq4 h HIS 131 N 0.70 0.67 -0.34 0.49 3.86 -0.69 0.74 115.15 120.58 2qq4 h HIS 131 Ca 0.05 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 2qq4 h HIS 131 Cb 1.03 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 2qq4 h HIS 131 CO 0.06 0.68 -0.05 0.00 0.86 0.00 0.00 177.93 179.48 2qq4 h ALA 132 N 1.35 0.47 -0.46 2.45 0.00 -1.20 -1.69 119.26 120.19 2qq4 h ALA 132 Ca 0.11 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2qq4 h ALA 132 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2qq4 h ALA 132 CO 0.02 0.28 0.25 1.25 0.00 0.00 0.00 179.25 181.05 2qq4 h LEU 133 N 0.43 0.37 -1.35 0.00 5.85 -0.38 -1.42 115.31 118.82 2qq4 h LEU 133 Ca 0.09 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2qq4 h LEU 133 Cb 0.53 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2qq4 h LEU 133 CO 0.03 0.27 0.23 -0.33 -0.34 0.00 0.00 178.44 178.30 2qq4 h GLU 134 N 0.49 0.68 -0.28 1.25 5.08 -0.66 -0.26 114.58 120.89 2qq4 h GLU 134 Ca 0.19 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2qq4 h GLU 134 Cb 0.07 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qq4 h GLU 134 CO -0.12 0.53 -0.54 0.93 -1.00 0.00 0.00 179.01 178.81 2qq4 h GLU 135 N 0.68 0.84 0.60 2.33 5.08 -0.72 -3.31 114.58 120.08 2qq4 h GLU 135 Ca 0.17 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2qq4 h GLU 135 Cb 0.08 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2qq4 h GLU 135 CO -0.02 1.16 -0.29 0.00 -1.00 0.00 0.00 179.01 178.86 2qq4 h ALA 136 N 0.73 -0.90 -1.94 3.43 0.00 -0.91 -3.42 119.26 116.25 2qq4 h ALA 136 Ca 0.01 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 2qq4 h ALA 136 Cb 1.15 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2qq4 h ALA 136 CO 0.12 -0.84 1.34 1.28 0.00 0.00 0.00 179.25 181.15 2qq4 n LEU 137 N -4.92 3.35 0.00 0.00 4.77 -0.14 -4.81 117.00 115.25 2qq4 n LEU 137 Ca -0.10 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2qq4 n LEU 137 Cb 0.32 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 2qq4 n LEU 137 CO 0.24 -0.36 0.00 0.54 -1.33 0.00 0.00 177.39 176.48