#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq4 h SER 2 N 0.00 -0.27 -0.75 7.83 0.02 -2.05 1.95 113.55 120.28 2qq4 h SER 2 Ca 0.00 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2qq4 h SER 2 Cb 0.00 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 2qq4 h SER 2 CO 0.00 -0.08 0.50 0.58 -1.14 0.00 0.00 176.83 176.69 2qq4 h VAL 3 N -0.11 1.16 -0.05 2.27 2.07 -2.05 -1.65 116.25 117.90 2qq4 h VAL 3 Ca 0.00 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 2qq4 h VAL 3 Cb 0.12 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2qq4 h VAL 3 CO -0.06 0.18 -0.71 -0.07 0.02 0.00 0.00 177.57 176.93 2qq4 h LEU 4 N 0.98 0.30 0.23 2.57 3.38 -1.92 -1.72 115.31 119.14 2qq4 h LEU 4 Ca 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qq4 h LEU 4 Cb -0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qq4 h LEU 4 CO -0.07 0.91 -0.16 0.44 0.09 0.00 0.00 178.44 179.65 2qq4 h ASP 5 N 0.17 -0.42 0.02 -0.43 3.32 0.40 0.98 116.42 120.46 2qq4 h ASP 5 Ca -0.02 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 2qq4 h ASP 5 Cb 1.26 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2qq4 h ASP 5 CO 0.11 -0.26 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.74 2qq4 h GLU 6 N -0.39 0.42 -0.36 3.56 5.08 -1.38 -1.54 114.58 119.97 2qq4 h GLU 6 Ca -0.02 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 2qq4 h GLU 6 Cb 0.34 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qq4 h GLU 6 CO 0.00 0.69 -0.43 1.25 -1.00 0.00 0.00 179.01 179.52 2qq4 h LEU 7 N 0.37 0.98 -0.95 1.33 5.85 -1.10 -2.19 115.31 119.60 2qq4 h LEU 7 Ca 0.05 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 2qq4 h LEU 7 Cb 0.72 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2qq4 h LEU 7 CO 0.06 1.26 -0.14 1.88 -0.34 0.00 0.00 178.44 181.16 2qq4 h TYR 8 N 0.73 0.67 -0.33 1.25 0.99 -0.59 -0.25 116.97 119.43 2qq4 h TYR 8 Ca 0.05 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 2qq4 h TYR 8 Cb 1.02 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 38.56 2qq4 h TYR 8 CO 0.06 0.72 0.18 -0.09 -0.00 0.00 0.00 178.16 179.04 2qq4 h ARG 9 N 0.56 0.46 -0.55 4.88 2.43 -1.13 -2.17 114.38 118.86 2qq4 h ARG 9 Ca 0.10 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2qq4 h ARG 9 Cb 0.56 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2qq4 h ARG 9 CO 0.04 0.38 0.00 0.93 -1.51 0.00 0.00 179.97 179.81 2qq4 h GLU 10 N 0.41 0.94 -0.13 0.20 4.39 -1.01 -0.83 114.58 118.55 2qq4 h GLU 10 Ca 0.12 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2qq4 h GLU 10 Cb 0.06 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2qq4 h GLU 10 CO -0.02 0.93 0.08 0.82 -1.16 0.00 0.00 179.01 179.66 2qq4 h ILE 11 N 0.87 1.04 -0.64 3.13 2.04 -0.87 0.96 117.51 124.03 2qq4 h ILE 11 Ca 0.16 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2qq4 h ILE 11 Cb 0.51 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2qq4 h ILE 11 CO 0.02 0.04 0.24 -0.07 0.00 0.00 0.00 178.15 178.38 2qq4 h LEU 12 N 0.17 0.91 -0.46 1.44 3.38 -1.14 -1.48 115.31 118.13 2qq4 h LEU 12 Ca 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2qq4 h LEU 12 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2qq4 h LEU 12 CO -0.01 0.85 0.20 0.25 0.09 0.00 0.00 178.44 179.82 2qq4 h LEU 13 N 0.92 0.62 -0.46 1.67 5.85 -0.99 -0.31 115.31 122.59 2qq4 h LEU 13 Ca 0.21 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2qq4 h LEU 13 Cb 0.24 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2qq4 h LEU 13 CO -0.01 0.60 0.26 -0.78 -0.34 0.00 0.00 178.44 178.17 2qq4 h ASP 14 N 0.60 0.41 1.00 1.25 3.58 -0.54 0.13 116.42 122.86 2qq4 h ASP 14 Ca 0.15 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 2qq4 h ASP 14 Cb 0.16 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2qq4 h ASP 14 CO -0.02 0.29 -0.62 0.45 -2.88 0.00 0.00 179.24 176.47 2qq4 h HIS 15 N 0.52 0.00 -0.10 0.28 3.86 -1.15 -0.16 115.15 118.41 2qq4 h HIS 15 Ca 0.19 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 2qq4 h HIS 15 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2qq4 h HIS 15 CO -0.08 0.62 -0.20 -0.92 0.86 0.00 0.00 177.93 178.21 2qq4 h TYR 16 N 0.00 0.40 -0.30 2.45 3.20 -0.69 -2.69 116.97 119.33 2qq4 h TYR 16 Ca -0.01 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 2qq4 h TYR 16 Cb 1.28 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2qq4 h TYR 16 CO 0.00 0.80 -0.24 1.96 -1.64 0.00 0.00 178.16 179.05 2qq4 h GLN 17 N -0.13 0.70 -2.43 1.82 4.20 -0.70 -3.39 115.11 115.18 2qq4 h GLN 17 Ca 0.00 -0.34 -0.59 0.00 0.06 0.00 0.00 58.65 57.78 2qq4 h GLN 17 Cb 0.78 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.16 2qq4 h GLN 17 CO 0.04 0.95 -0.81 0.43 -0.67 0.00 0.00 178.83 178.77 2qq4 n SER 18 N -4.30 1.54 -4.78 1.46 7.64 -0.08 -5.09 113.62 110.01 2qq4 n SER 18 Ca -0.03 -2.91 -0.41 0.00 1.01 0.00 0.00 58.87 56.53 2qq4 n SER 18 Cb 0.44 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2qq4 n SER 18 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qq4 s PRO 19 N -1.20 4.12 0.37 1.43 0.04 -1.01 -4.57 135.00 134.17 2qq4 s PRO 19 Ca 0.33 2.57 -0.06 0.00 0.04 0.00 0.00 61.00 63.87 2qq4 s PRO 19 Cb 0.07 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 2qq4 s PRO 19 CO -0.13 -0.54 0.67 1.03 0.04 0.00 0.00 177.00 178.07 2qq4 s ARG 20 N -1.92 3.65 -1.22 4.56 3.00 -1.26 -4.38 118.95 121.39 2qq4 s ARG 20 Ca 0.54 0.17 -0.21 0.00 0.00 0.00 0.00 55.73 56.22 2qq4 s ARG 20 Cb -0.46 -2.51 0.01 0.00 0.00 0.00 0.00 34.95 31.99 2qq4 s ARG 20 CO 0.61 0.04 0.67 0.09 0.00 0.00 0.00 175.30 176.72 2qq4 n ASN 21 N -1.40 -3.97 -4.13 0.23 3.02 -1.26 -4.70 115.26 103.05 2qq4 n ASN 21 Ca -0.00 -1.12 -0.33 0.00 -0.03 0.00 0.00 54.58 53.10 2qq4 n ASN 21 Cb 0.54 -2.73 -0.16 0.00 -0.61 0.00 0.00 39.78 36.83 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 -3.60 2.88 0.00 3.10 5.36 -1.26 -1.22 117.98 123.24 2qq4 s PHE 22 Ca 0.39 -1.68 0.00 0.00 -0.96 0.00 0.00 56.93 54.68 2qq4 s PHE 22 Cb -0.17 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 2qq4 s PHE 22 CO 0.91 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 174.28 2qq4 n GLY 23 N 4.61 1.30 3.78 13.12 0.00 -0.51 -4.96 105.19 122.54 2qq4 n GLY 23 Ca -0.20 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 2qq4 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qq4 s VAL 24 N -1.14 3.97 -0.34 1.61 -7.23 -1.26 -4.15 120.40 111.87 2qq4 s VAL 24 Ca 0.00 1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 61.66 2qq4 s VAL 24 Cb 0.00 -3.89 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 2qq4 s VAL 24 CO 0.00 0.12 0.27 -0.22 -0.31 0.00 0.00 175.10 174.96 2qq4 s LEU 25 N -2.19 4.46 0.07 1.32 2.96 -1.26 -5.02 118.68 119.02 2qq4 s LEU 25 Ca 0.52 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.85 2qq4 s LEU 25 Cb -0.21 -2.20 -0.11 0.00 0.50 0.00 0.00 46.19 44.18 2qq4 s LEU 25 CO 0.27 -0.25 1.39 -0.65 -1.32 0.00 0.00 176.35 175.79 2qq4 h PRO 26 N 8.47 -0.55 -1.37 0.98 0.11 -2.01 -3.14 132.00 134.50 2qq4 h PRO 26 Ca -0.31 0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.53 2qq4 h PRO 26 Cb 1.16 0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 2qq4 h PRO 26 CO 0.64 -0.37 0.39 0.00 -0.21 0.00 0.00 178.00 178.46 2qq4 n GLN 27 N -4.60 1.75 -1.73 1.05 -0.00 -1.26 -4.98 117.38 107.61 2qq4 n GLN 27 Ca -0.06 -1.55 -0.42 0.00 -0.00 0.00 0.00 57.00 54.97 2qq4 n GLN 27 Cb 0.30 -1.61 -0.02 0.00 -0.00 0.00 0.00 30.24 28.91 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qq4 n ALA 28 N 0.15 2.53 -0.05 2.61 0.00 -1.19 -4.72 120.51 119.84 2qq4 n ALA 28 Ca 0.30 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 2qq4 n ALA 28 Cb 0.72 -2.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 2qq4 n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qq4 h THR 29 N 3.46 1.73 -3.59 0.00 2.02 0.18 -3.48 112.91 113.24 2qq4 h THR 29 Ca -0.46 -2.29 -0.28 0.00 0.77 0.00 0.00 66.41 64.15 2qq4 h THR 29 Cb 1.22 3.28 -0.15 0.00 -1.74 0.00 0.00 68.15 70.76 2qq4 h THR 29 CO 0.84 0.60 -0.70 -0.54 0.37 0.00 0.00 175.52 176.09 2qq4 s LYS 30 N -2.40 0.99 -0.24 6.66 1.02 -1.02 -5.01 119.74 119.73 2qq4 s LYS 30 Ca -0.18 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.28 2qq4 s LYS 30 Cb -0.02 -0.43 0.10 0.00 -0.52 0.00 0.00 37.83 36.96 2qq4 s LYS 30 CO 0.71 0.01 0.55 -1.14 -0.92 0.00 0.00 175.35 174.56 2qq4 s GLN 31 N -3.80 0.50 0.10 1.68 0.74 -1.26 -1.36 119.66 116.26 2qq4 s GLN 31 Ca 0.16 1.18 0.06 0.00 0.05 0.00 0.00 55.36 56.81 2qq4 s GLN 31 Cb 0.04 0.41 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 2qq4 s GLN 31 CO -0.01 -0.20 -0.16 0.00 -0.55 0.00 0.00 175.29 174.37 2qq4 s ALA 32 N 2.29 1.48 0.25 1.58 0.00 -0.73 -4.86 121.76 121.77 2qq4 s ALA 32 Ca -0.06 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2qq4 s ALA 32 Cb -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2qq4 s ALA 32 CO -0.16 0.21 0.03 0.20 0.00 0.00 0.00 175.76 176.04 2qq4 s GLY 33 N -2.00 1.67 0.18 0.00 0.00 -1.26 -0.71 107.32 105.20 2qq4 s GLY 33 Ca 0.04 -1.83 -0.22 0.00 0.00 0.00 0.00 44.72 42.71 2qq4 s GLY 33 CO 0.03 -1.67 0.60 -0.32 0.00 0.00 0.00 173.10 171.75 2qq4 s GLY 34 N -3.33 -0.47 0.06 0.20 0.00 0.36 -4.86 107.32 99.28 2qq4 s GLY 34 Ca 0.32 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.31 2qq4 s GLY 34 CO 0.11 0.06 -0.06 1.06 0.00 0.00 0.00 173.10 174.27 2qq4 s MET 35 N -3.79 0.63 -0.52 2.90 -1.94 -1.26 -0.78 119.30 114.53 2qq4 s MET 35 Ca 0.04 -1.03 0.06 0.00 -1.71 0.00 0.00 55.69 53.04 2qq4 s MET 35 Cb -0.02 -0.12 0.22 0.00 2.01 0.00 0.00 34.83 36.92 2qq4 s MET 35 CO -0.09 -0.02 0.53 -1.71 -0.01 0.00 0.00 175.02 173.73 2qq4 n ASN 36 N 0.69 1.43 0.21 3.03 5.15 0.55 -4.98 115.26 121.34 2qq4 n ASN 36 Ca -0.18 -2.90 0.17 0.00 -0.60 0.00 0.00 54.58 51.07 2qq4 n ASN 36 Cb 0.58 -0.65 0.71 0.00 -0.53 0.00 0.00 39.78 39.89 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 4.68 0.00 -0.27 1.20 0.13 -1.93 0.15 132.00 135.95 2qq4 h PRO 37 Ca 0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.18 2qq4 h PRO 37 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2qq4 h PRO 37 CO 0.58 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 178.69 2qq4 h SER 38 N 0.00 0.59 0.06 1.44 4.64 -1.95 -3.23 113.55 115.11 2qq4 h SER 38 Ca 0.10 -0.23 -0.27 0.00 -0.47 0.00 0.00 61.79 60.92 2qq4 h SER 38 Cb 1.05 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.93 2qq4 h SER 38 CO -0.00 0.88 -2.22 0.00 -0.87 0.00 0.00 176.83 174.61 2qq4 n GLY 40 N 1.62 1.26 3.87 0.00 0.00 0.41 -4.88 105.19 107.46 2qq4 n GLY 40 Ca -0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.15 6.67 -0.08 1.61 1.01 -0.96 -4.60 116.67 118.17 2qq4 s ASP 41 Ca 0.00 0.88 -0.05 0.00 0.71 0.00 0.00 52.55 54.10 2qq4 s ASP 41 Cb 0.00 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.75 2qq4 s ASP 41 CO 0.00 0.08 0.20 -1.58 0.21 0.00 0.00 175.17 174.07 2qq4 s GLN 42 N -2.24 0.18 0.02 8.23 0.74 -0.75 -0.33 119.66 125.50 2qq4 s GLN 42 Ca 0.39 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.19 2qq4 s GLN 42 Cb -0.13 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 2qq4 s GLN 42 CO 0.20 -0.12 -0.02 0.54 -0.55 0.00 0.00 175.29 175.34 2qq4 s VAL 43 N 0.85 0.10 -0.07 1.34 0.11 0.04 -2.67 120.40 120.10 2qq4 s VAL 43 Ca -0.06 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2qq4 s VAL 43 Cb -0.08 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2qq4 s VAL 43 CO -0.05 -0.39 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.57 2qq4 s GLU 44 N -1.14 1.17 -0.13 1.54 2.56 -0.07 -0.49 118.70 122.14 2qq4 s GLU 44 Ca -0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.97 54.66 2qq4 s GLU 44 Cb -0.08 -1.17 -0.02 0.00 2.00 0.00 0.00 34.13 34.86 2qq4 s GLU 44 CO -0.01 -0.13 -0.12 0.08 -0.56 0.00 0.00 175.26 174.52 2qq4 s VAL 45 N 1.20 3.12 -0.09 3.70 1.01 0.11 -0.83 120.40 128.62 2qq4 s VAL 45 Ca -0.06 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2qq4 s VAL 45 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2qq4 s VAL 45 CO -0.02 0.52 -0.22 -0.04 0.00 0.00 0.00 175.10 175.35 2qq4 s MET 46 N 0.33 2.69 0.07 2.72 -1.94 -0.22 -1.77 119.30 121.18 2qq4 s MET 46 Ca -0.10 -0.79 0.08 0.00 -1.71 0.00 0.00 55.69 53.17 2qq4 s MET 46 Cb -0.16 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 2qq4 s MET 46 CO 0.05 0.18 -0.22 0.14 -0.01 0.00 0.00 175.02 175.16 2qq4 s VAL 47 N 0.32 1.80 -0.32 -6.03 -7.23 -0.46 -1.39 120.40 107.09 2qq4 s VAL 47 Ca -0.16 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2qq4 s VAL 47 Cb -0.17 -1.58 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2qq4 s VAL 47 CO 0.07 0.15 0.04 -0.22 -0.31 0.00 0.00 175.10 174.83 2qq4 s LEU 48 N -1.45 4.10 -0.17 1.32 2.96 0.38 0.19 118.68 126.01 2qq4 s LEU 48 Ca 0.08 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 52.63 2qq4 s LEU 48 Cb -0.09 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2qq4 s LEU 48 CO 0.03 -0.30 0.09 -0.76 -1.32 0.00 0.00 176.35 174.09 2qq4 s LEU 49 N 1.29 4.00 -0.71 -0.68 1.43 -1.26 0.16 118.68 122.91 2qq4 s LEU 49 Ca -0.03 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2qq4 s LEU 49 Cb -0.20 -2.01 0.17 0.00 0.03 0.00 0.00 46.19 44.19 2qq4 s LEU 49 CO -0.00 0.23 0.51 -1.61 0.23 0.00 0.00 176.35 175.71 2qq4 s GLU 50 N 0.06 2.57 6.55 1.70 2.02 -0.25 -4.90 118.70 126.46 2qq4 s GLU 50 Ca 0.07 -3.15 0.00 0.00 0.02 0.00 0.00 54.97 51.91 2qq4 s GLU 50 Cb -0.12 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.56 2qq4 s GLU 50 CO 0.00 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.45 2qq4 n GLY 51 N 2.36 1.86 0.98 -1.39 0.00 -1.26 -2.85 105.19 104.89 2qq4 n GLY 51 Ca 0.17 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 9.84 3.08 -4.65 1.61 5.75 -1.26 -4.96 116.55 125.96 2qq4 n ASP 52 Ca 0.00 -1.95 -0.34 0.00 -0.01 0.00 0.00 54.79 52.49 2qq4 n ASP 52 Cb 0.00 -0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 39.90 2qq4 n ASP 52 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2qq4 s THR 53 N -1.71 4.08 -0.97 2.12 -4.23 -1.13 -0.87 115.64 112.92 2qq4 s THR 53 Ca 0.31 -0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 2qq4 s THR 53 Cb 0.20 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 71.41 2qq4 s THR 53 CO 0.29 0.56 1.28 -0.63 -0.54 0.00 0.00 174.62 175.58 2qq4 s ILE 54 N -0.90 4.34 0.21 2.99 1.01 -0.39 -1.09 121.20 127.38 2qq4 s ILE 54 Ca 0.14 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 2qq4 s ILE 54 Cb -0.11 -4.91 0.16 0.00 0.01 0.00 0.00 42.46 37.60 2qq4 s ILE 54 CO 0.04 -1.72 1.87 0.00 0.00 0.00 0.00 174.94 175.13 2qq4 h ALA 55 N 9.30 0.96 -2.65 9.38 0.00 -0.60 0.25 119.26 135.89 2qq4 h ALA 55 Ca 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2qq4 h ALA 55 Cb 1.02 -0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.39 2qq4 h ALA 55 CO 1.26 0.33 -0.18 0.34 0.00 0.00 0.00 179.25 181.00 2qq4 s ASP 56 N -5.84 -0.11 -0.25 0.00 3.68 -1.09 -4.47 116.67 108.58 2qq4 s ASP 56 Ca -0.13 -0.41 -0.26 0.00 2.13 0.00 0.00 52.55 53.89 2qq4 s ASP 56 Cb 0.15 0.42 0.07 0.00 -1.45 0.00 0.00 42.92 42.12 2qq4 s ASP 56 CO 0.78 -0.79 0.74 -0.51 0.13 0.00 0.00 175.17 175.52 2qq4 s ILE 57 N -3.70 0.00 0.13 4.11 2.07 -1.26 -0.47 121.20 122.08 2qq4 s ILE 57 Ca 0.03 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.20 2qq4 s ILE 57 Cb 0.03 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2qq4 s ILE 57 CO -0.11 0.00 0.18 -0.13 -1.91 0.00 0.00 174.94 172.97 2qq4 s ARG 58 N 0.22 0.98 0.15 3.50 0.52 -0.49 -4.81 118.95 119.03 2qq4 s ARG 58 Ca -0.01 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.06 2qq4 s ARG 58 Cb -0.05 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 2qq4 s ARG 58 CO 0.01 -0.32 -0.08 -0.59 0.02 0.00 0.00 175.30 174.34 2qq4 s PHE 59 N -3.96 1.24 0.13 -0.53 -0.12 -0.36 -1.05 117.98 113.33 2qq4 s PHE 59 Ca 0.15 -0.81 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2qq4 s PHE 59 Cb 0.05 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.75 2qq4 s PHE 59 CO -0.03 0.02 0.07 -0.65 -0.05 0.00 0.00 175.22 174.58 2qq4 s GLN 60 N -3.78 0.94 0.00 1.99 -0.21 -0.01 -1.43 119.66 117.15 2qq4 s GLN 60 Ca 0.18 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.15 2qq4 s GLN 60 Cb 0.03 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.30 2qq4 s GLN 60 CO 0.01 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 2qq4 n GLY 61 N -0.10 2.43 3.09 3.09 0.00 -1.26 -0.89 105.19 111.55 2qq4 n GLY 61 Ca -0.06 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.83 0.61 0.00 1.61 0.00 -1.09 -4.99 119.66 113.98 2qq4 s GLN 62 Ca 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 55.36 54.47 2qq4 s GLN 62 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 33.01 32.69 2qq4 s GLN 62 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 175.29 175.75 2qq4 n GLY 63 N 1.15 -0.61 3.85 2.60 0.00 -1.26 -1.81 105.19 109.12 2qq4 n GLY 63 Ca -0.21 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.93 1.37 -0.45 0.00 0.00 -1.99 -1.40 119.26 115.86 2qq4 h ALA 65 Ca -0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qq4 h ALA 65 Cb 1.28 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2qq4 h ALA 65 CO 0.63 0.52 0.27 0.82 0.00 0.00 0.00 179.25 181.48 2qq4 h ILE 66 N 1.23 1.15 -0.23 0.00 2.04 -1.93 0.13 117.51 119.91 2qq4 h ILE 66 Ca 0.40 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 2qq4 h ILE 66 Cb 0.05 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2qq4 h ILE 66 CO -0.13 0.15 -0.43 0.77 0.00 0.00 0.00 178.15 178.51 2qq4 h SER 67 N 0.60 0.59 -0.21 1.72 4.64 -1.52 -0.54 113.55 118.83 2qq4 h SER 67 Ca 0.16 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 2qq4 h SER 67 Cb 0.01 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2qq4 h SER 67 CO -0.03 0.94 -0.16 0.74 -0.87 0.00 0.00 176.83 177.45 2qq4 h THR 68 N 0.45 1.32 -0.56 2.95 2.02 -1.03 -1.74 112.91 116.32 2qq4 h THR 68 Ca 0.03 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.88 2qq4 h THR 68 Cb 0.93 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 2qq4 h THR 68 CO 0.08 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.51 2qq4 h ALA 69 N 0.67 0.74 -0.49 6.16 0.00 -0.70 -1.36 119.26 124.29 2qq4 h ALA 69 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qq4 h ALA 69 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qq4 h ALA 69 CO 0.04 0.44 0.27 1.03 0.00 0.00 0.00 179.25 181.03 2qq4 h SER 70 N 0.80 0.61 -0.59 0.00 0.87 -1.06 -0.55 113.55 113.64 2qq4 h SER 70 Ca 0.18 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2qq4 h SER 70 Cb 0.34 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2qq4 h SER 70 CO 0.00 0.53 0.14 0.00 -0.53 0.00 0.00 176.83 176.97 2qq4 h ALA 71 N 1.11 0.77 0.48 6.23 0.00 -1.16 -0.47 119.26 126.22 2qq4 h ALA 71 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2qq4 h ALA 71 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2qq4 h ALA 71 CO -0.03 0.48 -0.23 1.03 0.00 0.00 0.00 179.25 180.50 2qq4 h SER 72 N 0.85 -0.55 -0.72 0.00 0.87 -1.01 -1.65 113.55 111.34 2qq4 h SER 72 Ca 0.18 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 2qq4 h SER 72 Cb 0.35 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2qq4 h SER 72 CO 0.00 -0.34 0.47 -0.07 -0.53 0.00 0.00 176.83 176.37 2qq4 h LEU 73 N -0.73 0.65 -0.32 2.23 3.38 -1.06 -2.35 115.31 117.11 2qq4 h LEU 73 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qq4 h LEU 73 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qq4 h LEU 73 CO 0.11 0.42 0.10 -0.03 0.09 0.00 0.00 178.44 179.13 2qq4 h MET 74 N 0.74 0.50 -0.73 1.13 4.05 -0.77 -1.56 114.93 118.28 2qq4 h MET 74 Ca 0.31 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2qq4 h MET 74 Cb 0.27 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 2qq4 h MET 74 CO -0.10 0.53 0.46 1.79 0.23 0.00 0.00 176.91 179.82 2qq4 h THR 75 N 0.36 1.20 -0.52 -0.77 1.35 -0.79 -1.80 112.91 111.95 2qq4 h THR 75 Ca 0.10 -0.42 -0.06 0.00 -0.55 0.00 0.00 66.41 65.49 2qq4 h THR 75 Cb 0.24 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.80 2qq4 h THR 75 CO -0.00 0.20 0.09 -0.33 -0.25 0.00 0.00 175.52 175.23 2qq4 h GLU 76 N 1.00 0.81 -0.05 4.72 5.08 -1.35 -0.88 114.58 123.90 2qq4 h GLU 76 Ca 0.26 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2qq4 h GLU 76 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2qq4 h GLU 76 CO -0.05 0.75 -0.67 0.00 -1.00 0.00 0.00 179.01 178.04 2qq4 h ALA 77 N 1.33 0.77 0.00 3.43 0.00 -0.83 -3.34 119.26 120.62 2qq4 h ALA 77 Ca 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qq4 h ALA 77 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qq4 h ALA 77 CO 0.00 0.77 -1.13 1.33 0.00 0.00 0.00 179.25 180.23 2qq4 n VAL 78 N -3.82 0.00 -1.78 0.00 0.24 -0.72 -4.87 118.33 107.38 2qq4 n VAL 78 Ca -0.03 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 2qq4 n VAL 78 Cb 0.66 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.76 2qq4 n VAL 78 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2qq4 s LYS 79 N -2.88 4.14 0.00 7.34 2.20 -0.35 -1.58 119.74 128.61 2qq4 s LYS 79 Ca 0.03 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2qq4 s LYS 79 Cb 0.13 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2qq4 s LYS 79 CO 0.76 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2qq4 n GLY 80 N 3.07 2.26 3.92 5.54 0.00 0.86 -5.03 105.19 115.82 2qq4 n GLY 80 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.16 2.88 0.44 1.61 -0.14 -0.62 -4.71 119.74 119.06 2qq4 s LYS 81 Ca 0.00 -0.05 -0.17 0.00 -1.36 0.00 0.00 55.97 54.38 2qq4 s LYS 81 Cb 0.00 -2.28 -0.09 0.00 -1.68 0.00 0.00 37.83 33.78 2qq4 s LYS 81 CO 0.00 -0.71 0.91 0.15 -0.76 0.00 0.00 175.35 174.94 2qq4 s LYS 82 N -4.98 4.03 0.27 1.68 1.02 -1.26 -1.26 119.74 119.24 2qq4 s LYS 82 Ca 0.54 0.91 0.01 0.00 0.02 0.00 0.00 55.97 57.44 2qq4 s LYS 82 Cb -0.11 -2.23 0.61 0.00 -0.52 0.00 0.00 37.83 35.59 2qq4 s LYS 82 CO 0.45 -0.10 1.72 0.28 -0.92 0.00 0.00 175.35 176.78 2qq4 h VAL 83 N 1.42 0.57 -0.80 3.17 2.07 -1.37 -0.87 116.25 120.44 2qq4 h VAL 83 Ca -0.48 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2qq4 h VAL 83 Cb 1.18 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2qq4 h VAL 83 CO 0.62 0.08 0.39 0.00 0.02 0.00 0.00 177.57 178.69 2qq4 h ALA 84 N 1.64 1.18 -0.37 1.67 0.00 -1.93 -0.61 119.26 120.84 2qq4 h ALA 84 Ca 0.50 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 2qq4 h ALA 84 Cb 0.86 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qq4 h ALA 84 CO -0.47 0.63 -0.28 0.93 0.00 0.00 0.00 179.25 180.06 2qq4 h GLU 85 N 1.14 0.77 -0.54 0.00 5.08 -1.58 -0.97 114.58 118.48 2qq4 h GLU 85 Ca 0.28 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2qq4 h GLU 85 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2qq4 h GLU 85 CO -0.04 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 179.07 2qq4 h ALA 86 N 1.02 0.71 -0.34 3.43 0.00 -0.70 -0.06 119.26 123.33 2qq4 h ALA 86 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2qq4 h ALA 86 Cb 0.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qq4 h ALA 86 CO 0.07 0.40 -0.24 -0.07 0.00 0.00 0.00 179.25 179.41 2qq4 h LEU 87 N 0.76 0.69 -0.80 0.00 3.38 -0.99 0.22 115.31 118.57 2qq4 h LEU 87 Ca 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qq4 h LEU 87 Cb 0.33 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2qq4 h LEU 87 CO 0.00 0.91 0.32 -0.33 0.09 0.00 0.00 178.44 179.44 2qq4 h GLU 88 N 0.59 1.20 -0.29 1.13 4.39 -0.76 0.05 114.58 120.89 2qq4 h GLU 88 Ca 0.08 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2qq4 h GLU 88 Cb 0.73 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2qq4 h GLU 88 CO 0.06 0.97 0.01 -0.07 -1.16 0.00 0.00 179.01 178.81 2qq4 h LEU 89 N 1.17 0.50 -1.12 1.33 3.38 -0.59 -1.54 115.31 118.44 2qq4 h LEU 89 Ca 0.27 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qq4 h LEU 89 Cb 0.21 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2qq4 h LEU 89 CO -0.02 0.68 0.60 -1.28 0.09 0.00 0.00 178.44 178.50 2qq4 h SER 90 N 0.31 1.01 -0.45 -0.43 0.87 -0.52 0.83 113.55 115.17 2qq4 h SER 90 Ca 0.08 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2qq4 h SER 90 Cb 0.41 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2qq4 h SER 90 CO 0.01 0.72 -0.05 -0.09 -0.53 0.00 0.00 176.83 176.89 2qq4 h ARG 91 N 1.19 0.83 -0.55 2.24 2.43 -0.83 -1.66 114.38 118.03 2qq4 h ARG 91 Ca 0.34 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2qq4 h ARG 91 Cb -0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2qq4 h ARG 91 CO -0.09 0.91 -0.04 0.87 -1.51 0.00 0.00 179.97 180.11 2qq4 h LYS 92 N 0.67 0.97 -0.04 0.20 1.57 -0.56 -1.62 116.57 117.75 2qq4 h LYS 92 Ca 0.12 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2qq4 h LYS 92 Cb 0.58 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2qq4 h LYS 92 CO 0.03 0.98 0.02 0.35 -0.57 0.00 0.00 179.45 180.27 2qq4 h PHE 93 N 0.88 0.06 -0.62 -1.35 3.57 -0.70 -1.79 116.94 116.99 2qq4 h PHE 93 Ca 0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 2qq4 h PHE 93 Cb 0.58 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2qq4 h PHE 93 CO 0.04 0.19 0.18 1.96 -2.23 0.00 0.00 178.31 178.45 2qq4 h GLN 94 N -0.09 0.96 -0.85 1.11 4.20 -1.27 -0.74 115.11 118.44 2qq4 h GLN 94 Ca 0.01 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2qq4 h GLN 94 Cb 0.15 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2qq4 h GLN 94 CO -0.00 0.83 0.42 0.00 -0.67 0.00 0.00 178.83 179.41 2qq4 h ALA 95 N 1.27 1.15 0.56 3.87 0.00 -1.15 0.84 119.26 125.80 2qq4 h ALA 95 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qq4 h ALA 95 Cb 0.28 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qq4 h ALA 95 CO -0.01 0.65 -0.27 1.98 0.00 0.00 0.00 179.25 181.61 2qq4 h MET 96 N 1.20 -0.73 0.00 0.00 1.85 -0.78 -0.30 114.93 116.17 2qq4 h MET 96 Ca 0.29 0.05 -0.22 0.00 -0.61 0.00 0.00 59.70 59.22 2qq4 h MET 96 Cb 0.09 0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 2qq4 h MET 96 CO -0.04 -0.42 -1.14 -0.39 -0.40 0.00 0.00 176.91 174.52 2qq4 h VAL 97 N -0.95 1.37 0.00 -5.77 -1.51 -1.01 -2.50 116.25 105.87 2qq4 h VAL 97 Ca -0.08 -3.06 -0.18 0.00 -1.23 0.00 0.00 66.70 62.15 2qq4 h VAL 97 Cb 0.64 2.66 -0.03 0.00 -2.13 0.00 0.00 31.29 32.44 2qq4 h VAL 97 CO 0.13 0.78 -1.06 0.58 -1.23 0.00 0.00 177.57 176.77 2qq4 h VAL 98 N 0.00 0.81 0.00 7.19 2.07 0.56 -3.34 116.25 123.55 2qq4 h VAL 98 Ca -0.08 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2qq4 h VAL 98 Cb 1.78 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2qq4 h VAL 98 CO 0.11 0.28 -0.48 -0.33 0.02 0.00 0.00 177.57 177.17 2qq4 h GLU 99 N -1.00 0.00 -0.42 1.57 5.08 -1.29 -3.48 114.58 115.04 2qq4 h GLU 99 Ca -0.27 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 2qq4 h GLU 99 Cb 1.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2qq4 h GLU 99 CO -0.16 0.00 -0.15 0.41 -1.00 0.00 0.00 179.01 178.11 2qq4 n GLY 100 N 1.20 0.92 3.71 -3.84 0.00 -0.24 -4.99 105.19 101.95 2qq4 n GLY 100 Ca 0.03 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.30 1.67 -0.03 4.61 0.00 -0.52 -4.87 121.76 120.32 2qq4 s ALA 101 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2qq4 s ALA 101 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2qq4 s ALA 101 CO 0.00 -2.37 1.96 -1.25 0.00 0.00 0.00 175.76 174.10 2qq4 s PRO 102 N -4.78 3.96 -0.23 0.00 0.04 -1.26 -4.54 135.00 128.18 2qq4 s PRO 102 Ca 0.64 2.42 -0.41 0.00 0.04 0.00 0.00 61.00 63.69 2qq4 s PRO 102 Cb -0.20 -4.17 -0.17 0.00 0.04 0.00 0.00 34.50 30.00 2qq4 s PRO 102 CO 0.57 -1.16 1.57 -2.30 0.04 0.00 0.00 177.00 175.73 2qq4 n PRO 103 N 7.71 0.81 -2.16 0.56 -0.02 -1.26 -4.90 135.00 135.75 2qq4 n PRO 103 Ca 0.21 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 2qq4 n PRO 103 Cb 0.42 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.50 6.79 0.55 2.55 -1.08 -1.26 -4.88 116.67 121.84 2qq4 s ASP 104 Ca 0.96 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 55.46 2qq4 s ASP 104 Cb -1.15 -2.56 1.47 0.00 -1.46 0.00 0.00 42.92 39.21 2qq4 s ASP 104 CO 0.65 -0.77 1.89 -0.65 0.52 0.00 0.00 175.17 176.80 2qq4 h PRO 105 N 8.14 0.00 0.00 4.34 0.11 -2.00 -0.34 132.00 142.25 2qq4 h PRO 105 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2qq4 h PRO 105 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qq4 h PRO 105 CO 0.92 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 2qq4 n THR 106 N -4.10 1.02 0.30 -1.15 -2.24 -1.26 -2.76 114.28 104.08 2qq4 n THR 106 Ca 0.15 0.25 0.17 0.00 -2.27 0.00 0.00 64.05 62.35 2qq4 n THR 106 Cb 0.86 -1.03 0.68 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.44 -3.48 115.31 116.99 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 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 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 -0.01 3.50 0.28 0.83 0.00 -1.11 -1.69 105.19 106.98 2qq4 n GLY 108 Ca 0.01 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 0.45 1.61 3.45 -1.94 -0.79 116.42 119.20 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 0.00 -0.07 -1.57 0.00 0.00 179.24 177.60 2qq4 h LEU 110 N 0.00 0.00 -2.07 1.55 3.38 -1.70 -1.52 115.31 114.95 2qq4 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 110 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qq4 h LEU 110 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 2qq4 h LEU 111 N 0.00 0.00 -2.42 1.67 3.38 -1.29 -1.75 115.31 114.89 2qq4 h LEU 111 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq4 h LEU 111 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qq4 h LEU 111 CO 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.51 2qq4 h ALA 112 N 2.03 1.10 -0.19 1.53 0.00 -1.48 -1.25 119.26 120.99 2qq4 h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qq4 h ALA 112 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qq4 h ALA 112 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2qq4 n LEU 113 N -3.26 1.99 -0.35 0.00 4.77 -0.66 -4.46 117.00 115.03 2qq4 n LEU 113 Ca -0.02 -0.82 0.05 0.00 -0.03 0.00 0.00 56.01 55.19 2qq4 n LEU 113 Cb 0.15 -0.12 0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2qq4 n LEU 113 CO 0.24 0.41 0.67 -0.61 -1.33 0.00 0.00 177.39 176.77 2qq4 h GLN 114 N 2.65 -0.00 -0.01 3.23 4.15 -1.38 -1.17 115.11 122.58 2qq4 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2qq4 h GLN 114 Cb 0.58 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 2qq4 h GLN 114 CO 0.00 -0.00 0.12 0.78 -1.93 0.00 0.00 178.83 177.80 2qq4 h GLY 115 N -0.00 0.00 1.34 2.39 0.00 -1.83 -2.60 103.07 102.37 2qq4 h GLY 115 Ca 0.46 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.87 2qq4 h GLY 115 CO -0.99 0.00 0.28 -2.08 0.00 0.00 0.00 176.54 173.75 2qq4 h VAL 116 N 0.00 0.92 -0.76 4.60 2.07 -1.56 -1.26 116.25 120.26 2qq4 h VAL 116 Ca 0.00 -0.08 0.19 0.00 0.82 0.00 0.00 66.70 67.64 2qq4 h VAL 116 Cb 0.24 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2qq4 h VAL 116 CO -0.00 0.04 0.52 0.00 0.02 0.00 0.00 177.57 178.16 2qq4 h ALA 117 N 1.79 2.45 -0.00 1.67 0.00 -1.58 0.33 119.26 123.91 2qq4 h ALA 117 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qq4 h ALA 117 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qq4 h ALA 117 CO -0.03 -0.67 -0.04 1.63 0.00 0.00 0.00 179.25 180.14 2qq4 n LYS 118 N -4.40 1.01 -3.48 0.00 4.76 -0.47 -4.27 118.16 111.30 2qq4 n LYS 118 Ca 0.15 -0.29 -0.27 0.00 -2.87 0.00 0.00 58.31 55.03 2qq4 n LYS 118 Cb 0.71 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.74 1.86 -0.33 -0.35 4.77 0.12 -4.97 117.00 117.35 2qq4 n LEU 119 Ca 0.19 -4.99 0.27 0.00 -0.03 0.00 0.00 56.01 51.46 2qq4 n LEU 119 Cb 0.23 -0.13 0.59 0.00 -2.33 0.00 0.00 43.42 41.77 2qq4 n LEU 119 CO 0.20 1.94 1.25 -0.65 -1.33 0.00 0.00 177.39 178.80 2qq4 h PRO 120 N 4.73 0.25 0.00 3.23 0.11 -1.74 0.87 132.00 139.45 2qq4 h PRO 120 Ca 0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qq4 h PRO 120 Cb 0.79 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2qq4 h PRO 120 CO 0.62 0.17 -0.01 0.00 -0.21 0.00 0.00 178.00 178.57 2qq4 h ALA 121 N 1.56 1.29 -0.09 -0.75 0.00 -1.93 -2.52 119.26 116.83 2qq4 h ALA 121 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2qq4 h ALA 121 Cb 1.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2qq4 h ALA 121 CO -0.23 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.56 2qq4 n ARG 122 N -3.51 0.97 -0.10 0.00 5.12 0.29 -4.59 116.66 114.84 2qq4 n ARG 122 Ca -0.03 -1.28 0.08 0.00 -1.93 0.00 0.00 57.85 54.69 2qq4 n ARG 122 Cb 0.09 -1.18 0.43 0.00 -1.16 0.00 0.00 32.46 30.64 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 1.67 1.00 -0.34 1.55 2.07 -1.31 -0.67 116.25 120.22 2qq4 h VAL 123 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2qq4 h VAL 123 Cb 0.45 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2qq4 h VAL 123 CO 0.00 0.10 0.14 0.11 0.02 0.00 0.00 177.57 177.95 2qq4 h LYS 124 N 0.57 0.48 -0.64 1.57 1.57 -1.81 -1.98 116.57 116.33 2qq4 h LYS 124 Ca 0.26 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2qq4 h LYS 124 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2qq4 h LYS 124 CO -0.07 0.40 0.10 0.00 -0.57 0.00 0.00 179.45 179.30 2qq4 h ALA 126 N 1.03 0.57 0.00 0.00 0.00 -1.34 -3.31 119.26 116.21 2qq4 h ALA 126 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qq4 h ALA 126 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qq4 h ALA 126 CO 0.01 0.83 -0.82 1.79 0.00 0.00 0.00 179.25 181.06 2qq4 h THR 127 N 0.19 0.00 -0.67 0.00 1.35 -1.36 -3.40 112.91 109.01 2qq4 h THR 127 Ca -0.04 -0.77 0.12 0.00 -0.55 0.00 0.00 66.41 65.17 2qq4 h THR 127 Cb 1.40 1.31 -0.13 0.00 -1.73 0.00 0.00 68.15 69.00 2qq4 h THR 127 CO 0.13 0.00 -0.31 0.25 -0.25 0.00 0.00 175.52 175.34 2qq4 h LEU 128 N 0.00 -1.09 -1.31 3.87 5.85 -1.51 0.08 115.31 121.21 2qq4 h LEU 128 Ca 0.00 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2qq4 h LEU 128 Cb 0.89 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2qq4 h LEU 128 CO 0.00 -0.29 0.28 0.00 -0.34 0.00 0.00 178.44 178.09 2qq4 h ALA 129 N 1.20 1.47 -0.15 1.25 0.00 -1.82 -2.23 119.26 118.98 2qq4 h ALA 129 Ca 0.27 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2qq4 h ALA 129 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qq4 h ALA 129 CO -0.74 0.43 -0.42 -1.49 0.00 0.00 0.00 179.25 177.03 2qq4 h TRP 130 N 0.76 0.41 -0.20 0.00 4.06 -1.28 -0.67 115.95 119.03 2qq4 h TRP 130 Ca 0.19 -0.12 -0.12 0.00 2.06 0.00 0.00 58.89 60.91 2qq4 h TRP 130 Cb 0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2qq4 h TRP 130 CO 0.01 0.71 -0.38 0.45 -3.56 0.00 0.00 178.44 175.67 2qq4 h HIS 131 N 0.28 0.52 -0.37 0.49 3.86 -0.74 -0.85 115.15 118.35 2qq4 h HIS 131 Ca 0.02 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 2qq4 h HIS 131 Cb 0.86 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2qq4 h HIS 131 CO 0.02 0.76 -0.04 0.00 0.86 0.00 0.00 177.93 179.54 2qq4 h ALA 132 N 1.22 0.50 -0.13 2.45 0.00 -1.03 -2.03 119.26 120.25 2qq4 h ALA 132 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2qq4 h ALA 132 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2qq4 h ALA 132 CO 0.07 0.31 0.03 1.25 0.00 0.00 0.00 179.25 180.90 2qq4 h LEU 133 N 0.49 0.01 -1.33 0.00 5.85 -0.81 -0.83 115.31 118.69 2qq4 h LEU 133 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2qq4 h LEU 133 Cb 0.52 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2qq4 h LEU 133 CO 0.03 0.03 0.25 -0.33 -0.34 0.00 0.00 178.44 178.08 2qq4 h GLU 134 N 0.08 0.71 -0.31 1.25 5.08 -1.08 -0.72 114.58 119.60 2qq4 h GLU 134 Ca 0.06 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2qq4 h GLU 134 Cb 0.05 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2qq4 h GLU 134 CO -0.07 0.55 -0.49 1.49 -1.00 0.00 0.00 179.01 179.48 2qq4 h GLU 135 N 0.72 0.85 0.00 2.33 4.81 -0.91 -2.35 114.58 120.02 2qq4 h GLU 135 Ca 0.18 -0.51 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2qq4 h GLU 135 Cb 0.07 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2qq4 h GLU 135 CO -0.03 1.14 -0.27 0.00 -0.73 0.00 0.00 179.01 179.12 2qq4 h ALA 136 N 0.77 1.06 -0.01 2.92 0.00 -0.75 -2.51 119.26 120.74 2qq4 h ALA 136 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qq4 h ALA 136 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qq4 h ALA 136 CO 0.11 0.34 -0.21 1.28 0.00 0.00 0.00 179.25 180.78 2qq4 n LEU 137 N -3.51 0.81 0.00 0.00 4.77 -0.31 -4.64 117.00 114.11 2qq4 n LEU 137 Ca -0.00 -0.15 0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2qq4 n LEU 137 Cb 0.43 -0.15 0.58 0.00 -2.33 0.00 0.00 43.42 41.95 2qq4 n LEU 137 CO 0.34 0.15 0.77 0.54 -1.33 0.00 0.00 177.39 177.87