#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 1.19 -0.61 2.46 2.07 -2.05 0.23 116.25 119.53 2qq4 h VAL 3 Ca 0.00 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 2qq4 h VAL 3 Cb 0.00 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2qq4 h VAL 3 CO 0.00 0.20 0.13 -0.07 0.02 0.00 0.00 177.57 177.85 2qq4 h LEU 4 N 0.40 0.91 -0.40 2.57 3.38 -2.06 0.58 115.31 120.69 2qq4 h LEU 4 Ca 0.11 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2qq4 h LEU 4 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qq4 h LEU 4 CO -0.01 0.89 0.22 0.44 0.09 0.00 0.00 178.44 180.08 2qq4 h ASP 5 N 0.92 0.35 -0.20 -0.43 3.32 -1.79 -1.33 116.42 117.26 2qq4 h ASP 5 Ca 0.19 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 2qq4 h ASP 5 Cb 0.35 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2qq4 h ASP 5 CO 0.00 0.25 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.25 2qq4 h GLU 6 N 0.45 0.64 -0.36 3.56 5.08 -0.15 -2.68 114.58 121.12 2qq4 h GLU 6 Ca 0.16 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2qq4 h GLU 6 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2qq4 h GLU 6 CO -0.09 0.79 0.20 1.25 -1.00 0.00 0.00 179.01 180.16 2qq4 h LEU 7 N 0.57 0.31 -1.14 1.33 5.85 -0.30 -1.24 115.31 120.67 2qq4 h LEU 7 Ca 0.09 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2qq4 h LEU 7 Cb 0.65 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2qq4 h LEU 7 CO 0.05 0.22 0.59 1.88 -0.34 0.00 0.00 178.44 180.84 2qq4 h TYR 8 N 0.40 1.07 -0.54 1.25 0.05 -1.01 0.70 116.97 118.89 2qq4 h TYR 8 Ca 0.15 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 2qq4 h TYR 8 Cb 0.03 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 2qq4 h TYR 8 CO -0.09 0.60 0.12 -0.09 -1.05 0.00 0.00 178.16 177.65 2qq4 h ARG 9 N 1.09 0.88 -0.40 4.88 9.65 -1.12 -1.54 114.38 127.81 2qq4 h ARG 9 Ca 0.37 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 2qq4 h ARG 9 Cb 0.09 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2qq4 h ARG 9 CO -0.12 0.83 0.06 0.93 2.80 0.00 0.00 179.97 184.47 2qq4 h GLU 10 N 0.77 0.60 -0.58 0.20 4.39 0.06 -1.87 114.58 118.15 2qq4 h GLU 10 Ca 0.17 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 2qq4 h GLU 10 Cb 0.36 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2qq4 h GLU 10 CO 0.00 0.58 -0.05 0.82 -1.16 0.00 0.00 179.01 179.21 2qq4 h ILE 11 N 0.58 1.27 0.12 3.13 2.04 -0.59 -0.52 117.51 123.54 2qq4 h ILE 11 Ca 0.13 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2qq4 h ILE 11 Cb 0.28 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2qq4 h ILE 11 CO 0.00 0.43 -0.12 0.25 0.00 0.00 0.00 178.15 178.72 2qq4 h LEU 12 N 0.96 -0.32 -1.31 1.44 5.85 -0.57 -0.54 115.31 120.82 2qq4 h LEU 12 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2qq4 h LEU 12 Cb 0.61 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2qq4 h LEU 12 CO 0.04 -0.19 0.35 -0.07 -0.34 0.00 0.00 178.44 178.23 2qq4 h LEU 13 N -0.27 0.72 -0.33 2.25 3.38 -1.23 -1.87 115.31 117.96 2qq4 h LEU 13 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qq4 h LEU 13 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qq4 h LEU 13 CO -0.03 0.57 0.13 -0.78 0.09 0.00 0.00 178.44 178.41 2qq4 h ASP 14 N 0.83 0.46 0.26 -0.43 3.58 -0.57 0.30 116.42 120.85 2qq4 h ASP 14 Ca 0.22 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2qq4 h ASP 14 Cb -0.01 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2qq4 h ASP 14 CO -0.04 0.51 -0.33 0.45 -2.88 0.00 0.00 179.24 176.95 2qq4 h HIS 15 N 0.38 0.13 -0.16 0.28 3.86 -0.75 0.27 115.15 119.16 2qq4 h HIS 15 Ca 0.11 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2qq4 h HIS 15 Cb 0.20 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2qq4 h HIS 15 CO -0.00 0.44 -0.13 -0.92 0.86 0.00 0.00 177.93 178.18 2qq4 h TYR 16 N 0.10 0.43 -0.11 2.45 3.20 -0.95 -1.98 116.97 120.12 2qq4 h TYR 16 Ca 0.01 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 2qq4 h TYR 16 Cb 0.64 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2qq4 h TYR 16 CO 0.01 0.73 0.01 1.96 -1.64 0.00 0.00 178.16 179.22 2qq4 h GLN 17 N 0.02 0.19 -2.30 1.82 1.08 -0.62 -3.38 115.11 111.93 2qq4 h GLN 17 Ca 0.03 -0.06 -0.59 0.00 -1.45 0.00 0.00 58.65 56.58 2qq4 h GLN 17 Cb 0.64 -0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 27.64 2qq4 h GLN 17 CO 0.03 0.42 -0.78 0.43 -0.95 0.00 0.00 178.83 177.98 2qq4 n SER 18 N -4.82 2.12 -4.62 1.46 7.64 0.93 -5.09 113.62 111.24 2qq4 n SER 18 Ca -0.06 -3.07 -0.41 0.00 1.01 0.00 0.00 58.87 56.34 2qq4 n SER 18 Cb 0.19 -0.66 0.02 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.41 1.35 -3.39 1.43 -0.04 -0.74 -4.64 135.00 130.37 2qq4 n PRO 19 Ca 0.26 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.91 2qq4 n PRO 19 Cb 0.44 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.10 3.66 -1.60 0.54 3.00 -1.26 -4.42 118.95 116.78 2qq4 s ARG 20 Ca 0.64 0.05 -0.16 0.00 0.00 0.00 0.00 55.73 56.26 2qq4 s ARG 20 Cb -0.54 -2.67 0.11 0.00 0.00 0.00 0.00 34.95 31.86 2qq4 s ARG 20 CO 0.56 0.26 0.92 0.09 0.00 0.00 0.00 175.30 177.14 2qq4 n ASN 21 N -0.66 -4.35 -4.70 0.23 3.02 -1.26 -4.60 115.26 102.94 2qq4 n ASN 21 Ca -0.01 -0.86 -0.37 0.00 -0.03 0.00 0.00 54.58 53.31 2qq4 n ASN 21 Cb 0.53 -3.49 -0.07 0.00 -0.61 0.00 0.00 39.78 36.14 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 -3.29 3.43 0.00 3.10 5.36 -1.26 -1.33 117.98 123.99 2qq4 s PHE 22 Ca 0.70 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 2qq4 s PHE 22 Cb -0.36 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 2qq4 s PHE 22 CO 0.86 0.12 0.00 0.41 -1.46 0.00 0.00 175.22 175.15 2qq4 n GLY 23 N 3.63 2.97 3.77 13.12 0.00 0.37 -4.91 105.19 124.13 2qq4 n GLY 23 Ca -0.10 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 2qq4 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qq4 s VAL 24 N -1.99 2.78 -0.58 1.61 0.11 -1.26 -3.93 120.40 117.14 2qq4 s VAL 24 Ca 0.00 0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 59.63 2qq4 s VAL 24 Cb 0.00 -3.34 0.15 0.00 -1.53 0.00 0.00 36.38 31.66 2qq4 s VAL 24 CO 0.00 0.03 0.41 -0.22 -3.33 0.00 0.00 175.10 171.99 2qq4 s LEU 25 N -2.87 5.42 0.41 2.54 2.96 -1.26 -4.99 118.68 120.89 2qq4 s LEU 25 Ca 0.62 -2.57 0.23 0.00 -0.22 0.00 0.00 54.13 52.19 2qq4 s LEU 25 Cb -0.34 -1.90 1.24 0.00 0.50 0.00 0.00 46.19 45.69 2qq4 s LEU 25 CO 0.42 -0.46 1.69 -0.65 -1.32 0.00 0.00 176.35 176.03 2qq4 h PRO 26 N 7.46 0.24 -0.31 0.98 0.11 -2.02 -0.61 132.00 137.86 2qq4 h PRO 26 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2qq4 h PRO 26 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2qq4 h PRO 26 CO 0.73 0.16 0.00 1.04 -0.21 0.00 0.00 178.00 179.72 2qq4 n GLN 27 N -4.72 2.02 -1.57 1.05 6.02 -1.26 -4.98 117.38 113.95 2qq4 n GLN 27 Ca 0.31 -1.55 -0.54 0.00 -0.01 0.00 0.00 57.00 55.22 2qq4 n GLN 27 Cb 1.13 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.91 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qq4 n ALA 28 N 0.76 -1.67 -0.09 -1.58 0.00 -0.24 -4.73 120.51 112.97 2qq4 n ALA 28 Ca 0.17 0.54 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2qq4 n ALA 28 Cb 0.41 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.72 2qq4 n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qq4 n THR 29 N 2.24 1.47 -4.16 0.00 -2.24 0.90 -4.96 114.28 107.53 2qq4 n THR 29 Ca 0.19 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 2qq4 n THR 29 Cb 0.16 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 2qq4 n THR 29 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qq4 s LYS 30 N -2.52 0.80 0.15 -0.78 1.02 -1.10 -5.03 119.74 112.28 2qq4 s LYS 30 Ca -0.14 -1.23 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 2qq4 s LYS 30 Cb 0.07 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.13 2qq4 s LYS 30 CO 0.78 0.01 0.43 -1.14 -0.92 0.00 0.00 175.35 174.51 2qq4 s GLN 31 N -3.35 1.17 -0.26 1.68 0.74 -1.26 -1.42 119.66 116.96 2qq4 s GLN 31 Ca 0.08 -0.80 -0.27 0.00 0.05 0.00 0.00 55.36 54.42 2qq4 s GLN 31 Cb 0.02 0.48 0.14 0.00 1.10 0.00 0.00 33.01 34.75 2qq4 s GLN 31 CO -0.03 -0.47 1.14 0.00 -0.55 0.00 0.00 175.29 175.38 2qq4 s ALA 32 N -3.84 -2.03 0.31 1.58 0.00 -0.61 -4.58 121.76 112.58 2qq4 s ALA 32 Ca 0.06 1.76 0.10 0.00 0.00 0.00 0.00 51.96 53.88 2qq4 s ALA 32 Cb 0.01 -1.35 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 2qq4 s ALA 32 CO -0.08 -0.22 -0.12 0.20 0.00 0.00 0.00 175.76 175.53 2qq4 s GLY 33 N -0.26 2.01 -0.01 0.00 0.00 -1.26 -0.35 107.32 107.45 2qq4 s GLY 33 Ca 0.03 -1.98 -0.09 0.00 0.00 0.00 0.00 44.72 42.68 2qq4 s GLY 33 CO -0.07 -1.97 0.19 -0.32 0.00 0.00 0.00 173.10 170.94 2qq4 s GLY 34 N -3.54 -0.03 0.09 0.20 0.00 0.97 -4.83 107.32 100.17 2qq4 s GLY 34 Ca 0.31 0.09 0.06 0.00 0.00 0.00 0.00 44.72 45.17 2qq4 s GLY 34 CO 0.15 -0.06 -0.15 1.06 0.00 0.00 0.00 173.10 174.09 2qq4 s MET 35 N -1.16 0.90 -0.48 2.90 -1.94 -1.26 -0.84 119.30 117.42 2qq4 s MET 35 Ca -0.12 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 52.86 2qq4 s MET 35 Cb -0.06 -0.92 0.18 0.00 2.01 0.00 0.00 34.83 36.04 2qq4 s MET 35 CO 0.02 0.20 0.41 -1.71 -0.01 0.00 0.00 175.02 173.93 2qq4 n ASN 36 N 1.08 0.46 -0.10 3.03 5.15 0.33 -4.98 115.26 120.23 2qq4 n ASN 36 Ca -0.20 -2.62 0.23 0.00 -0.60 0.00 0.00 54.58 51.39 2qq4 n ASN 36 Cb 0.55 -0.61 0.67 0.00 -0.53 0.00 0.00 39.78 39.86 2qq4 n ASN 36 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qq4 h PRO 37 N 5.33 0.06 -0.82 1.20 0.13 -1.92 0.92 132.00 136.90 2qq4 h PRO 37 Ca 0.22 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.54 2qq4 h PRO 37 Cb 0.86 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 2qq4 h PRO 37 CO 0.47 0.04 0.56 1.03 -0.23 0.00 0.00 178.00 179.87 2qq4 h SER 38 N 0.07 0.29 0.00 1.44 0.87 -1.96 -3.11 113.55 111.14 2qq4 h SER 38 Ca 0.34 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 2qq4 h SER 38 Cb 1.27 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2qq4 h SER 38 CO -0.03 0.13 -1.29 0.00 -0.53 0.00 0.00 176.83 175.11 2qq4 n GLY 40 N 2.99 1.39 3.80 0.00 0.00 0.31 -4.96 105.19 108.72 2qq4 n GLY 40 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 7.13 -0.12 1.61 1.01 -0.96 -4.76 116.67 118.59 2qq4 s ASP 41 Ca 0.00 1.62 -0.05 0.00 0.71 0.00 0.00 52.55 54.83 2qq4 s ASP 41 Cb 0.00 -2.50 0.06 0.00 1.01 0.00 0.00 42.92 41.49 2qq4 s ASP 41 CO 0.00 -0.09 0.25 -1.10 0.21 0.00 0.00 175.17 174.44 2qq4 s GLN 42 N -2.27 0.14 0.01 8.23 -0.21 -0.64 -0.51 119.66 124.41 2qq4 s GLN 42 Ca 0.50 0.70 0.03 0.00 0.02 0.00 0.00 55.36 56.61 2qq4 s GLN 42 Cb -0.16 -0.07 -0.01 0.00 1.00 0.00 0.00 33.01 33.77 2qq4 s GLN 42 CO 0.21 -0.27 -0.10 0.54 -2.12 0.00 0.00 175.29 173.54 2qq4 s VAL 43 N 2.26 0.78 -0.17 1.09 0.11 -0.02 -1.45 120.40 123.00 2qq4 s VAL 43 Ca 0.00 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2qq4 s VAL 43 Cb -0.12 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 2qq4 s VAL 43 CO -0.08 0.05 -0.18 -0.70 -3.33 0.00 0.00 175.10 170.86 2qq4 s GLU 44 N -0.68 2.74 -0.20 1.54 2.56 0.20 -0.02 118.70 124.85 2qq4 s GLU 44 Ca 0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 54.97 54.19 2qq4 s GLU 44 Cb -0.06 -2.39 -0.03 0.00 2.00 0.00 0.00 34.13 33.66 2qq4 s GLU 44 CO 0.00 -0.20 0.02 0.08 -0.56 0.00 0.00 175.26 174.60 2qq4 s VAL 45 N 1.32 4.20 -0.05 3.70 1.01 0.53 -1.23 120.40 129.88 2qq4 s VAL 45 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2qq4 s VAL 45 Cb -0.13 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2qq4 s VAL 45 CO -0.11 0.43 -0.16 -0.04 0.00 0.00 0.00 175.10 175.22 2qq4 s MET 46 N 0.83 2.49 0.04 2.72 -1.94 -0.20 -1.58 119.30 121.66 2qq4 s MET 46 Ca 0.02 -0.74 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 2qq4 s MET 46 Cb -0.14 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 2qq4 s MET 46 CO 0.02 0.58 -0.11 0.14 -0.01 0.00 0.00 175.02 175.64 2qq4 s VAL 47 N -0.63 0.85 -0.52 -6.03 -7.23 -0.51 -1.83 120.40 104.50 2qq4 s VAL 47 Ca 0.09 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.29 2qq4 s VAL 47 Cb -0.11 -0.80 0.14 0.00 0.56 0.00 0.00 36.38 36.16 2qq4 s VAL 47 CO 0.01 -0.10 0.36 -0.22 -0.31 0.00 0.00 175.10 174.84 2qq4 s LEU 48 N -1.14 5.48 -0.21 1.32 2.96 -0.37 -0.07 118.68 126.66 2qq4 s LEU 48 Ca -0.02 -2.30 -0.18 0.00 -0.22 0.00 0.00 54.13 51.41 2qq4 s LEU 48 Cb -0.08 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2qq4 s LEU 48 CO 0.01 -0.54 0.52 -0.22 -1.32 0.00 0.00 176.35 174.80 2qq4 s LEU 49 N 0.77 4.13 -0.50 -0.68 2.96 -1.26 0.08 118.68 124.17 2qq4 s LEU 49 Ca 0.11 0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2qq4 s LEU 49 Cb -0.22 -2.70 0.13 0.00 0.50 0.00 0.00 46.19 43.90 2qq4 s LEU 49 CO -0.03 -0.20 0.28 -1.61 -1.32 0.00 0.00 176.35 173.47 2qq4 s GLU 50 N 1.76 2.13 5.66 1.98 2.02 0.02 -4.92 118.70 127.36 2qq4 s GLU 50 Ca 0.24 -2.27 0.00 0.00 0.02 0.00 0.00 54.97 52.96 2qq4 s GLU 50 Cb -0.15 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.55 2qq4 s GLU 50 CO 0.09 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.68 2qq4 n GLY 51 N 3.81 1.71 0.63 -1.39 0.00 -1.26 -2.45 105.19 106.24 2qq4 n GLY 51 Ca 0.04 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 9.61 1.58 -4.26 1.61 5.75 -1.26 -5.03 116.55 124.55 2qq4 n ASP 52 Ca 0.00 -3.20 -0.27 0.00 -0.01 0.00 0.00 54.79 51.31 2qq4 n ASP 52 Cb 0.00 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 39.51 2qq4 n ASP 52 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qq4 s THR 53 N -2.28 1.75 -0.82 2.12 2.01 -1.03 -2.35 115.64 115.05 2qq4 s THR 53 Ca 0.33 -1.20 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 2qq4 s THR 53 Cb 0.32 -1.51 0.10 0.00 0.01 0.00 0.00 72.50 71.42 2qq4 s THR 53 CO -0.06 0.26 1.06 -0.63 -0.69 0.00 0.00 174.62 174.57 2qq4 s ILE 54 N -0.77 4.54 0.16 1.82 1.01 -0.32 -0.80 121.20 126.84 2qq4 s ILE 54 Ca 0.08 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 2qq4 s ILE 54 Cb -0.09 -4.75 0.04 0.00 0.01 0.00 0.00 42.46 37.67 2qq4 s ILE 54 CO 0.02 -1.49 1.82 0.00 0.00 0.00 0.00 174.94 175.28 2qq4 h ALA 55 N 9.17 0.58 -2.75 9.38 0.00 -0.67 0.15 119.26 135.12 2qq4 h ALA 55 Ca -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2qq4 h ALA 55 Cb 1.04 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 2qq4 h ALA 55 CO 1.15 0.04 -0.20 0.34 0.00 0.00 0.00 179.25 180.58 2qq4 s ASP 56 N -5.62 -0.06 -0.28 0.00 -1.08 -1.14 -4.47 116.67 104.02 2qq4 s ASP 56 Ca -0.13 -0.83 -0.24 0.00 -0.52 0.00 0.00 52.55 50.83 2qq4 s ASP 56 Cb 0.11 0.51 0.11 0.00 -1.46 0.00 0.00 42.92 42.19 2qq4 s ASP 56 CO 0.73 -1.00 0.95 -0.51 0.52 0.00 0.00 175.17 175.86 2qq4 s ILE 57 N -3.97 0.00 0.18 4.11 2.07 -1.26 -1.23 121.20 121.10 2qq4 s ILE 57 Ca 0.18 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.34 2qq4 s ILE 57 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 2qq4 s ILE 57 CO 0.03 0.00 0.29 -0.13 -1.91 0.00 0.00 174.94 173.22 2qq4 s ARG 58 N 0.36 1.22 0.06 3.50 0.52 -0.76 -4.84 118.95 119.02 2qq4 s ARG 58 Ca 0.01 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 2qq4 s ARG 58 Cb -0.05 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2qq4 s ARG 58 CO -0.05 -0.45 -0.05 -0.59 0.02 0.00 0.00 175.30 174.18 2qq4 s PHE 59 N -4.00 0.63 0.23 -0.53 -0.71 -0.44 -1.04 117.98 112.12 2qq4 s PHE 59 Ca 0.21 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 2qq4 s PHE 59 Cb 0.03 -0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 41.39 2qq4 s PHE 59 CO 0.03 -0.24 0.12 -0.65 -1.34 0.00 0.00 175.22 173.13 2qq4 s GLN 60 N -3.33 1.30 0.00 1.99 -0.21 -0.36 -0.48 119.66 118.57 2qq4 s GLN 60 Ca 0.04 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.72 2qq4 s GLN 60 Cb 0.03 0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.06 2qq4 s GLN 60 CO -0.06 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 2qq4 n GLY 61 N -0.37 0.67 2.93 3.09 0.00 -1.26 -0.62 105.19 109.63 2qq4 n GLY 61 Ca 0.01 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.75 0.09 0.28 1.61 -2.07 -0.53 -4.99 119.66 113.30 2qq4 s GLN 62 Ca 0.00 0.29 -0.07 0.00 -1.82 0.00 0.00 55.36 53.75 2qq4 s GLN 62 Cb 0.00 -0.11 0.03 0.00 -1.09 0.00 0.00 33.01 31.84 2qq4 s GLN 62 CO 0.00 -0.12 0.50 0.41 -1.32 0.00 0.00 175.29 174.76 2qq4 n GLY 63 N 3.83 1.65 3.55 2.60 0.00 -1.26 -1.62 105.19 113.93 2qq4 n GLY 63 Ca -0.22 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.56 1.08 -0.02 0.00 0.00 -1.99 -1.61 119.26 114.15 2qq4 h ALA 65 Ca -0.50 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qq4 h ALA 65 Cb 1.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qq4 h ALA 65 CO 0.42 0.11 0.01 0.82 0.00 0.00 0.00 179.25 180.61 2qq4 h ILE 66 N 0.78 1.09 -0.77 0.00 2.04 -1.91 -1.10 117.51 117.63 2qq4 h ILE 66 Ca 0.36 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2qq4 h ILE 66 Cb 0.27 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2qq4 h ILE 66 CO -0.21 0.07 0.51 0.77 0.00 0.00 0.00 178.15 179.28 2qq4 h SER 67 N -0.06 0.86 -0.13 1.72 4.64 -1.51 0.81 113.55 119.87 2qq4 h SER 67 Ca 0.01 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2qq4 h SER 67 Cb 0.10 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2qq4 h SER 67 CO -0.00 0.61 0.01 0.74 -0.87 0.00 0.00 176.83 177.32 2qq4 h THR 68 N 1.02 1.24 -0.79 2.95 2.02 -1.22 -1.36 112.91 116.77 2qq4 h THR 68 Ca 0.29 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2qq4 h THR 68 Cb -0.07 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2qq4 h THR 68 CO -0.08 0.22 0.33 0.00 0.37 0.00 0.00 175.52 176.36 2qq4 h ALA 69 N 0.78 1.09 -0.37 6.16 0.00 -0.98 -1.96 119.26 123.98 2qq4 h ALA 69 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2qq4 h ALA 69 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qq4 h ALA 69 CO 0.00 0.65 0.05 1.03 0.00 0.00 0.00 179.25 180.99 2qq4 h SER 70 N 1.14 0.59 -0.71 0.00 0.87 -0.73 -0.36 113.55 114.35 2qq4 h SER 70 Ca 0.26 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2qq4 h SER 70 Cb 0.19 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 2qq4 h SER 70 CO -0.02 0.70 0.46 0.00 -0.53 0.00 0.00 176.83 177.44 2qq4 h ALA 71 N 0.91 0.91 -0.07 6.23 0.00 -1.07 0.22 119.26 126.39 2qq4 h ALA 71 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qq4 h ALA 71 Cb 0.37 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qq4 h ALA 71 CO 0.01 0.35 0.04 1.03 0.00 0.00 0.00 179.25 180.67 2qq4 h SER 72 N 0.97 0.09 -0.93 0.00 0.87 -1.11 -1.00 113.55 112.45 2qq4 h SER 72 Ca 0.26 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2qq4 h SER 72 Cb -0.08 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 2qq4 h SER 72 CO -0.05 0.16 0.55 -0.07 -0.53 0.00 0.00 176.83 176.89 2qq4 h LEU 73 N 0.01 1.12 -0.09 2.23 3.38 -0.76 -2.51 115.31 118.69 2qq4 h LEU 73 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qq4 h LEU 73 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2qq4 h LEU 73 CO -0.00 0.87 0.04 -0.03 0.09 0.00 0.00 178.44 179.41 2qq4 h MET 74 N 1.28 0.13 -0.88 1.13 4.05 -0.31 -1.07 114.93 119.25 2qq4 h MET 74 Ca 0.33 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.73 2qq4 h MET 74 Cb -0.04 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 2qq4 h MET 74 CO -0.06 0.21 0.54 1.79 0.23 0.00 0.00 176.91 179.62 2qq4 h THR 75 N 0.02 1.24 -0.01 -0.77 1.35 -1.02 -2.06 112.91 111.65 2qq4 h THR 75 Ca 0.03 -0.50 -0.15 0.00 -0.55 0.00 0.00 66.41 65.24 2qq4 h THR 75 Cb 0.12 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.52 2qq4 h THR 75 CO -0.00 0.25 -0.71 -0.08 -0.25 0.00 0.00 175.52 174.73 2qq4 h GLU 76 N 1.20 0.09 -0.32 4.72 4.81 -1.37 -1.49 114.58 122.22 2qq4 h GLU 76 Ca 0.32 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 2qq4 h GLU 76 Cb -0.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2qq4 h GLU 76 CO -0.06 0.76 -0.37 0.00 -0.73 0.00 0.00 179.01 178.60 2qq4 h ALA 77 N 1.22 0.73 0.00 2.92 0.00 -0.78 -3.31 119.26 120.05 2qq4 h ALA 77 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qq4 h ALA 77 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qq4 h ALA 77 CO 0.10 0.66 -1.20 1.33 0.00 0.00 0.00 179.25 180.14 2qq4 n VAL 78 N -4.05 0.05 -1.71 0.00 0.24 -0.81 -4.85 118.33 107.19 2qq4 n VAL 78 Ca -0.02 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 2qq4 n VAL 78 Cb 0.52 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 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 -1.79 2.53 -0.25 7.34 4.81 -0.56 -1.06 118.16 129.18 2qq4 n LYS 79 Ca 0.02 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2qq4 n LYS 79 Cb 0.41 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.77 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 2.95 2.07 3.98 3.14 0.00 0.52 -5.02 105.19 112.82 2qq4 n GLY 80 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.15 2.77 0.37 1.61 -0.14 -0.22 -4.74 119.74 119.24 2qq4 s LYS 81 Ca 0.00 -0.81 -0.14 0.00 -1.36 0.00 0.00 55.97 53.66 2qq4 s LYS 81 Cb 0.00 -2.58 -0.08 0.00 -1.68 0.00 0.00 37.83 33.49 2qq4 s LYS 81 CO 0.00 -0.46 0.79 0.15 -0.76 0.00 0.00 175.35 175.06 2qq4 s LYS 82 N -4.59 3.96 0.22 1.68 1.02 -1.26 -1.18 119.74 119.59 2qq4 s LYS 82 Ca 0.54 0.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.11 2qq4 s LYS 82 Cb -0.10 -2.37 0.31 0.00 -0.52 0.00 0.00 37.83 35.15 2qq4 s LYS 82 CO 0.37 0.05 1.66 0.28 -0.92 0.00 0.00 175.35 176.78 2qq4 h VAL 83 N 1.63 0.46 -0.65 3.17 2.07 -1.83 0.32 116.25 121.43 2qq4 h VAL 83 Ca -0.48 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2qq4 h VAL 83 Cb 1.18 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2qq4 h VAL 83 CO 0.64 0.02 0.36 0.00 0.02 0.00 0.00 177.57 178.62 2qq4 h ALA 84 N 1.59 1.42 -0.36 1.67 0.00 -1.94 0.18 119.26 121.82 2qq4 h ALA 84 Ca 0.34 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2qq4 h ALA 84 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2qq4 h ALA 84 CO -0.56 0.48 -0.36 0.93 0.00 0.00 0.00 179.25 179.74 2qq4 h GLU 85 N 0.90 0.85 -0.46 0.00 5.08 -1.14 -1.42 114.58 118.38 2qq4 h GLU 85 Ca 0.23 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2qq4 h GLU 85 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2qq4 h GLU 85 CO -0.04 1.07 -0.02 0.00 -1.00 0.00 0.00 179.01 179.01 2qq4 h ALA 86 N 0.88 1.09 -0.04 3.43 0.00 0.33 -0.89 119.26 124.06 2qq4 h ALA 86 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2qq4 h ALA 86 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qq4 h ALA 86 CO 0.09 0.57 -0.62 -0.07 0.00 0.00 0.00 179.25 179.22 2qq4 h LEU 87 N 0.72 0.16 -0.39 0.00 3.38 -0.81 -0.61 115.31 117.75 2qq4 h LEU 87 Ca 0.14 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2qq4 h LEU 87 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2qq4 h LEU 87 CO 0.02 0.74 -0.24 -0.33 0.09 0.00 0.00 178.44 178.72 2qq4 h GLU 88 N 0.10 0.86 -0.33 1.13 4.39 -0.82 -0.53 114.58 119.40 2qq4 h GLU 88 Ca -0.01 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 2qq4 h GLU 88 Cb 1.12 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2qq4 h GLU 88 CO 0.09 1.04 0.12 -0.07 -1.16 0.00 0.00 179.01 179.03 2qq4 h LEU 89 N 0.67 0.46 -0.69 1.33 3.38 -0.99 -0.67 115.31 118.79 2qq4 h LEU 89 Ca 0.08 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2qq4 h LEU 89 Cb 0.81 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2qq4 h LEU 89 CO 0.07 0.52 0.41 -1.28 0.09 0.00 0.00 178.44 178.25 2qq4 h SER 90 N 0.37 0.65 0.12 -0.43 0.87 -0.96 0.30 113.55 114.48 2qq4 h SER 90 Ca 0.11 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2qq4 h SER 90 Cb 0.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2qq4 h SER 90 CO -0.01 0.44 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.58 2qq4 h ARG 91 N 0.79 -0.16 -0.93 2.24 2.43 -0.80 -0.22 114.38 117.73 2qq4 h ARG 91 Ca 0.29 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2qq4 h ARG 91 Cb 0.11 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2qq4 h ARG 91 CO -0.14 -0.05 0.61 0.87 -1.51 0.00 0.00 179.97 179.75 2qq4 h LYS 92 N -0.23 1.22 0.36 0.20 1.57 -0.61 0.11 116.57 119.19 2qq4 h LYS 92 Ca -0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2qq4 h LYS 92 Cb 0.19 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2qq4 h LYS 92 CO 0.03 0.81 -0.17 0.35 -0.57 0.00 0.00 179.45 179.90 2qq4 h PHE 93 N 1.26 -0.45 -0.79 -1.35 3.57 -0.16 -2.19 116.94 116.84 2qq4 h PHE 93 Ca 0.34 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.89 2qq4 h PHE 93 Cb -0.14 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 2qq4 h PHE 93 CO 0.00 -0.19 0.48 1.96 -2.23 0.00 0.00 178.31 178.32 2qq4 h GLN 94 N -0.62 0.84 -0.45 1.11 4.20 -0.81 -0.75 115.11 118.63 2qq4 h GLN 94 Ca -0.05 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.68 2qq4 h GLN 94 Cb 0.45 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2qq4 h GLN 94 CO 0.08 0.56 0.30 0.00 -0.67 0.00 0.00 178.83 179.10 2qq4 h ALA 95 N 1.39 2.00 0.00 3.87 0.00 -0.84 1.23 119.26 126.91 2qq4 h ALA 95 Ca 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2qq4 h ALA 95 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qq4 h ALA 95 CO -0.18 -0.09 -0.07 1.98 0.00 0.00 0.00 179.25 180.90 2qq4 h MET 96 N 0.33 0.04 0.10 0.00 1.85 -0.51 -1.00 114.93 115.73 2qq4 h MET 96 Ca 0.20 -0.05 -0.31 0.00 -0.61 0.00 0.00 59.70 58.93 2qq4 h MET 96 Cb 0.37 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 2qq4 h MET 96 CO -0.04 0.85 -1.61 -0.39 -0.40 0.00 0.00 176.91 175.32 2qq4 h VAL 97 N -0.75 1.04 0.03 -5.77 -1.51 -1.11 -2.73 116.25 105.45 2qq4 h VAL 97 Ca -0.01 -2.73 -0.14 0.00 -1.23 0.00 0.00 66.70 62.59 2qq4 h VAL 97 Cb 0.88 2.67 -0.01 0.00 -2.13 0.00 0.00 31.29 32.70 2qq4 h VAL 97 CO 0.01 0.78 -0.71 0.58 -1.23 0.00 0.00 177.57 177.00 2qq4 h VAL 98 N 0.06 1.35 0.06 7.19 2.07 0.13 -3.40 116.25 123.71 2qq4 h VAL 98 Ca -0.27 -2.31 -0.28 0.00 0.82 0.00 0.00 66.70 64.67 2qq4 h VAL 98 Cb 2.01 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 34.62 2qq4 h VAL 98 CO 0.14 0.52 -1.42 -0.33 0.02 0.00 0.00 177.57 176.50 2qq4 h GLU 99 N -0.86 0.12 0.00 1.57 5.08 -1.39 -3.48 114.58 115.62 2qq4 h GLU 99 Ca -0.18 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2qq4 h GLU 99 Cb 1.26 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2qq4 h GLU 99 CO -0.06 0.94 0.00 0.41 -1.00 0.00 0.00 179.01 179.30 2qq4 n GLY 100 N 1.55 0.67 3.74 -3.84 0.00 -0.57 -5.00 105.19 101.74 2qq4 n GLY 100 Ca -0.12 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 2.46 -0.04 4.61 0.00 -0.49 -4.86 121.76 121.44 2qq4 s ALA 101 Ca 0.00 1.08 -0.36 0.00 0.00 0.00 0.00 51.96 52.68 2qq4 s ALA 101 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 2qq4 s ALA 101 CO 0.00 -1.37 1.64 -2.30 0.00 0.00 0.00 175.76 173.74 2qq4 n PRO 102 N -1.77 1.66 -1.42 0.00 -0.02 -1.26 -4.53 135.00 127.64 2qq4 n PRO 102 Ca 0.14 0.60 -0.48 0.00 -2.02 0.00 0.00 63.50 61.75 2qq4 n PRO 102 Cb 0.49 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 2qq4 n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qq4 n PRO 103 N 4.54 0.36 -1.66 0.52 -0.02 -1.26 -4.84 135.00 132.64 2qq4 n PRO 103 Ca 0.21 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 2qq4 n PRO 103 Cb 0.22 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 8.22 5.97 0.62 2.55 -1.08 -1.26 -4.83 116.67 126.85 2qq4 s ASP 104 Ca 1.21 2.25 0.25 0.00 -0.52 0.00 0.00 52.55 55.74 2qq4 s ASP 104 Cb -1.10 -2.52 1.33 0.00 -1.46 0.00 0.00 42.92 39.17 2qq4 s ASP 104 CO 0.51 -1.50 1.74 -0.65 0.52 0.00 0.00 175.17 175.79 2qq4 h PRO 105 N 12.74 0.00 0.00 4.34 0.11 -1.99 -0.44 132.00 146.76 2qq4 h PRO 105 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qq4 h PRO 105 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qq4 h PRO 105 CO 0.95 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 2qq4 n THR 106 N -2.73 0.00 0.42 -1.15 -2.24 -1.26 -3.00 114.28 104.32 2qq4 n THR 106 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 2qq4 n THR 106 Cb 0.44 -0.38 0.36 0.00 -2.10 0.00 0.00 70.33 68.65 2qq4 n THR 106 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2qq4 h LEU 107 N 0.00 0.00 0.00 3.22 3.38 -1.45 -3.48 115.31 116.98 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 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 0.95 3.52 0.31 0.83 0.00 -1.16 -1.73 105.19 107.91 2qq4 n GLY 108 Ca 0.04 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 0.07 1.61 5.19 -1.93 -0.89 116.42 120.47 2qq4 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2qq4 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2qq4 h ASP 109 CO 0.00 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 176.05 2qq4 h LEU 110 N 0.00 0.00 -0.18 1.55 3.38 -1.69 0.12 115.31 118.49 2qq4 h LEU 110 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qq4 h LEU 110 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2qq4 h LEU 110 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2qq4 n LEU 111 N -2.34 0.11 0.30 1.67 4.77 -0.34 -1.88 117.00 119.29 2qq4 n LEU 111 Ca -0.01 0.54 0.18 0.00 -0.03 0.00 0.00 56.01 56.68 2qq4 n LEU 111 Cb 0.06 -0.53 0.95 0.00 -2.33 0.00 0.00 43.42 41.56 2qq4 n LEU 111 CO 0.12 -0.43 1.09 0.00 -1.33 0.00 0.00 177.39 176.83 2qq4 h ALA 112 N 2.24 1.18 -0.16 -1.18 0.00 -1.18 -2.22 119.26 117.95 2qq4 h ALA 112 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qq4 h ALA 112 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qq4 h ALA 112 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2qq4 n LEU 113 N -3.39 3.03 -0.14 0.00 4.77 -0.79 -4.56 117.00 115.92 2qq4 n LEU 113 Ca -0.02 -1.20 0.25 0.00 -0.03 0.00 0.00 56.01 55.01 2qq4 n LEU 113 Cb 0.15 -0.09 0.69 0.00 -2.33 0.00 0.00 43.42 41.84 2qq4 n LEU 113 CO 0.25 0.58 1.24 0.06 -1.33 0.00 0.00 177.39 178.19 2qq4 h GLN 114 N 4.24 0.05 -0.31 3.23 3.07 -1.55 0.18 115.11 124.03 2qq4 h GLN 114 Ca 0.00 -0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 2qq4 h GLN 114 Cb 0.92 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.46 2qq4 h GLN 114 CO 0.00 0.03 0.21 0.78 0.09 0.00 0.00 178.83 179.94 2qq4 h GLY 115 N 0.05 0.29 1.72 0.06 0.00 -1.81 -1.46 103.07 101.93 2qq4 h GLY 115 Ca 0.39 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.63 2qq4 h GLY 115 CO -0.03 0.08 0.12 -2.08 0.00 0.00 0.00 176.54 174.64 2qq4 h VAL 116 N 0.25 0.23 0.00 4.60 2.07 -0.98 -0.04 116.25 122.39 2qq4 h VAL 116 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qq4 h VAL 116 Cb 0.21 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2qq4 h VAL 116 CO -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.56 2qq4 h ALA 117 N 1.81 1.15 -0.46 1.67 0.00 -1.41 -0.27 119.26 121.75 2qq4 h ALA 117 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qq4 h ALA 117 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qq4 h ALA 117 CO -0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 2qq4 n LYS 118 N -3.31 2.33 -3.34 0.00 4.76 -0.03 -4.44 118.16 114.14 2qq4 n LYS 118 Ca -0.03 -1.76 -0.26 0.00 -2.87 0.00 0.00 58.31 53.39 2qq4 n LYS 118 Cb 0.10 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.72 2qq4 n LYS 118 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qq4 n LEU 119 N 0.81 -0.08 -0.35 -0.35 4.77 -0.11 -4.98 117.00 116.71 2qq4 n LEU 119 Ca 0.16 -4.53 0.27 0.00 -0.03 0.00 0.00 56.01 51.88 2qq4 n LEU 119 Cb 0.48 0.52 0.55 0.00 -2.33 0.00 0.00 43.42 42.64 2qq4 n LEU 119 CO 0.12 1.93 1.23 -0.65 -1.33 0.00 0.00 177.39 178.69 2qq4 h PRO 120 N 5.04 0.29 0.00 3.23 0.11 -1.78 0.12 132.00 139.01 2qq4 h PRO 120 Ca 0.20 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2qq4 h PRO 120 Cb 0.89 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qq4 h PRO 120 CO 0.42 0.19 -0.12 0.00 -0.21 0.00 0.00 178.00 178.29 2qq4 h ALA 121 N 1.60 1.74 -0.11 -0.75 0.00 -1.93 -2.94 119.26 116.88 2qq4 h ALA 121 Ca 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2qq4 h ALA 121 Cb 1.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2qq4 h ALA 121 CO -0.31 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.63 2qq4 n ARG 122 N -4.30 1.33 -0.29 0.00 5.12 0.37 -4.61 116.66 114.29 2qq4 n ARG 122 Ca -0.03 -1.51 0.06 0.00 -1.93 0.00 0.00 57.85 54.45 2qq4 n ARG 122 Cb 0.19 -1.28 0.28 0.00 -1.16 0.00 0.00 32.46 30.49 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 2.69 1.00 0.00 1.55 2.07 -1.24 -1.01 116.25 121.30 2qq4 h VAL 123 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qq4 h VAL 123 Cb 0.62 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2qq4 h VAL 123 CO 0.00 0.17 0.00 0.07 0.02 0.00 0.00 177.57 177.83 2qq4 h LYS 124 N 0.92 0.00 -0.01 1.57 -0.00 -1.81 -1.70 116.57 115.54 2qq4 h LYS 124 Ca 0.41 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.93 2qq4 h LYS 124 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.56 2qq4 h LYS 124 CO -0.17 0.00 -0.59 0.00 -0.00 0.00 0.00 179.45 178.69 2qq4 h ALA 126 N 1.37 0.41 0.00 0.00 0.00 -1.34 -3.26 119.26 116.45 2qq4 h ALA 126 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2qq4 h ALA 126 Cb 1.05 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2qq4 h ALA 126 CO 0.08 1.27 -0.10 1.79 0.00 0.00 0.00 179.25 182.29 2qq4 h THR 127 N 0.04 0.00 -0.26 0.00 1.35 -1.36 -3.38 112.91 109.31 2qq4 h THR 127 Ca -0.24 -0.54 0.06 0.00 -0.55 0.00 0.00 66.41 65.14 2qq4 h THR 127 Cb 1.99 1.48 -0.07 0.00 -1.73 0.00 0.00 68.15 69.81 2qq4 h THR 127 CO 0.13 0.00 -0.21 0.25 -0.25 0.00 0.00 175.52 175.44 2qq4 h LEU 128 N 0.00 -0.68 -1.56 3.87 5.85 -1.53 -0.65 115.31 120.60 2qq4 h LEU 128 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qq4 h LEU 128 Cb 0.77 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2qq4 h LEU 128 CO 0.00 -0.25 0.19 0.00 -0.34 0.00 0.00 178.44 178.04 2qq4 h ALA 129 N 0.90 1.67 -0.30 1.25 0.00 -1.83 -1.41 119.26 119.54 2qq4 h ALA 129 Ca 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2qq4 h ALA 129 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qq4 h ALA 129 CO -0.38 0.28 -0.45 -1.49 0.00 0.00 0.00 179.25 177.21 2qq4 h TRP 130 N 0.49 1.04 -0.52 0.00 4.06 -1.52 -0.78 115.95 118.71 2qq4 h TRP 130 Ca 0.13 -0.35 -0.06 0.00 2.06 0.00 0.00 58.89 60.67 2qq4 h TRP 130 Cb 0.02 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 2qq4 h TRP 130 CO 0.00 1.16 0.08 0.45 -3.56 0.00 0.00 178.44 176.58 2qq4 h HIS 131 N 0.62 0.85 -0.61 0.49 3.86 -0.64 -0.87 115.15 118.85 2qq4 h HIS 131 Ca 0.03 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 2qq4 h HIS 131 Cb 1.05 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 2qq4 h HIS 131 CO 0.07 0.74 0.04 0.00 0.86 0.00 0.00 177.93 179.65 2qq4 h ALA 132 N 1.31 0.92 -0.17 2.45 0.00 -1.12 -2.47 119.26 120.18 2qq4 h ALA 132 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qq4 h ALA 132 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qq4 h ALA 132 CO 0.01 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.23 2qq4 h LEU 133 N 0.96 0.24 -1.20 0.00 5.85 -0.47 -1.78 115.31 118.91 2qq4 h LEU 133 Ca 0.18 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2qq4 h LEU 133 Cb 0.50 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2qq4 h LEU 133 CO 0.02 0.35 0.55 -0.33 -0.34 0.00 0.00 178.44 178.70 2qq4 h GLU 134 N 0.12 1.01 -0.20 1.25 5.08 -1.07 -0.15 114.58 120.62 2qq4 h GLU 134 Ca 0.06 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2qq4 h GLU 134 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2qq4 h GLU 134 CO -0.00 0.67 -0.46 1.49 -1.00 0.00 0.00 179.01 179.71 2qq4 h GLU 135 N 1.04 0.50 -0.16 2.33 4.81 -1.29 -1.69 114.58 120.13 2qq4 h GLU 135 Ca 0.33 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2qq4 h GLU 135 Cb 0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2qq4 h GLU 135 CO -0.10 0.86 -0.46 0.00 -0.73 0.00 0.00 179.01 178.58 2qq4 h ALA 136 N 1.10 0.92 0.00 2.92 0.00 -0.44 -2.90 119.26 120.86 2qq4 h ALA 136 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qq4 h ALA 136 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2qq4 h ALA 136 CO 0.08 0.65 -0.11 -0.07 0.00 0.00 0.00 179.25 179.80 2qq4 h LEU 137 N 0.32 0.00 0.00 0.00 3.38 -0.89 -3.42 115.31 114.70 2qq4 h LEU 137 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qq4 h LEU 137 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2qq4 h LEU 137 CO 0.08 0.01 0.00 -1.14 0.09 0.00 0.00 178.44 177.48