#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 -0.84 -0.92 6.12 0.87 -2.05 2.16 113.55 118.88 2qq4 h SER 2 Ca 0.00 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2qq4 h SER 2 Cb 0.00 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 2qq4 h SER 2 CO 0.00 -0.60 0.59 0.58 -0.53 0.00 0.00 176.83 176.87 2qq4 h VAL 3 N -1.01 1.11 -0.20 2.23 2.07 -2.05 -1.32 116.25 117.07 2qq4 h VAL 3 Ca -0.10 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 2qq4 h VAL 3 Cb 0.77 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qq4 h VAL 3 CO 0.17 0.20 -0.51 -0.07 0.02 0.00 0.00 177.57 177.38 2qq4 h LEU 4 N 1.11 0.60 -1.37 2.57 3.38 -1.94 -2.09 115.31 117.56 2qq4 h LEU 4 Ca 0.38 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2qq4 h LEU 4 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qq4 h LEU 4 CO -0.15 1.01 0.12 0.44 0.09 0.00 0.00 178.44 179.95 2qq4 h ASP 5 N 0.43 0.49 0.47 -0.43 3.32 0.44 -0.67 116.42 120.47 2qq4 h ASP 5 Ca 0.02 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 2qq4 h ASP 5 Cb 1.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2qq4 h ASP 5 CO 0.10 0.48 -0.86 -0.33 -1.72 0.00 0.00 179.24 176.90 2qq4 h GLU 6 N 0.54 0.28 -0.35 3.56 5.08 -1.08 -1.51 114.58 121.10 2qq4 h GLU 6 Ca 0.13 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2qq4 h GLU 6 Cb 0.16 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2qq4 h GLU 6 CO -0.01 0.99 0.18 1.25 -1.00 0.00 0.00 179.01 180.42 2qq4 h LEU 7 N 0.16 0.44 -0.66 1.33 5.85 -0.67 -0.55 115.31 121.21 2qq4 h LEU 7 Ca -0.05 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2qq4 h LEU 7 Cb 1.48 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2qq4 h LEU 7 CO 0.14 0.42 0.41 1.88 -0.34 0.00 0.00 178.44 180.94 2qq4 h TYR 8 N 0.43 0.76 -0.85 1.25 0.99 -1.02 0.03 116.97 118.55 2qq4 h TYR 8 Ca 0.12 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 2qq4 h TYR 8 Cb 0.08 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.52 2qq4 h TYR 8 CO -0.02 0.43 0.49 -0.09 -0.00 0.00 0.00 178.16 178.97 2qq4 h ARG 9 N 0.79 1.17 -0.70 4.88 2.43 -0.86 0.64 114.38 122.75 2qq4 h ARG 9 Ca 0.27 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2qq4 h ARG 9 Cb 0.04 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 2qq4 h ARG 9 CO -0.11 0.84 0.29 0.93 -1.51 0.00 0.00 179.97 180.41 2qq4 h GLU 10 N 1.18 1.01 -0.14 0.20 4.39 -0.24 -0.30 114.58 120.68 2qq4 h GLU 10 Ca 0.30 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2qq4 h GLU 10 Cb -0.01 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2qq4 h GLU 10 CO -0.05 0.81 0.07 0.82 -1.16 0.00 0.00 179.01 179.50 2qq4 h ILE 11 N 1.00 1.12 -0.23 3.13 2.04 0.26 -0.16 117.51 124.66 2qq4 h ILE 11 Ca 0.24 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2qq4 h ILE 11 Cb 0.16 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2qq4 h ILE 11 CO -0.02 0.11 0.03 -0.07 0.00 0.00 0.00 178.15 178.19 2qq4 h LEU 12 N 0.11 -0.02 -0.99 1.44 3.38 -0.44 -1.53 115.31 117.27 2qq4 h LEU 12 Ca 0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2qq4 h LEU 12 Cb 0.11 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2qq4 h LEU 12 CO -0.01 0.02 0.64 -0.07 0.09 0.00 0.00 178.44 179.12 2qq4 h LEU 13 N 0.11 1.06 -0.06 1.67 3.38 -0.85 0.71 115.31 121.33 2qq4 h LEU 13 Ca 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qq4 h LEU 13 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2qq4 h LEU 13 CO -0.15 0.71 0.03 -0.78 0.09 0.00 0.00 178.44 178.33 2qq4 h ASP 14 N 1.22 0.08 0.29 -0.43 -0.00 -0.45 0.13 116.42 117.26 2qq4 h ASP 14 Ca 0.40 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.03 57.23 2qq4 h ASP 14 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 39.36 2qq4 h ASP 14 CO -0.14 0.20 -0.29 0.45 -0.00 0.00 0.00 179.24 179.46 2qq4 h HIS 15 N -0.04 0.00 0.02 0.28 3.86 -0.90 0.14 115.15 118.52 2qq4 h HIS 15 Ca 0.02 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2qq4 h HIS 15 Cb 0.14 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2qq4 h HIS 15 CO -0.03 0.29 -0.01 -0.92 0.86 0.00 0.00 177.93 178.13 2qq4 h TYR 16 N 0.00 -0.03 -0.37 2.45 3.20 -0.41 -1.66 116.97 120.16 2qq4 h TYR 16 Ca -0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2qq4 h TYR 16 Cb 0.52 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2qq4 h TYR 16 CO 0.00 0.29 -0.24 1.96 -1.64 0.00 0.00 178.16 178.53 2qq4 h GLN 17 N -0.34 0.82 -2.17 1.82 4.20 -0.71 -3.38 115.11 115.35 2qq4 h GLN 17 Ca -0.00 -0.38 -0.58 0.00 0.06 0.00 0.00 58.65 57.74 2qq4 h GLN 17 Cb 0.33 -0.01 -0.40 0.00 0.30 0.00 0.00 27.48 27.70 2qq4 h GLN 17 CO 0.01 1.02 -0.88 0.43 -0.67 0.00 0.00 178.83 178.73 2qq4 n SER 18 N -4.22 1.56 -4.70 1.46 7.64 0.47 -5.10 113.62 110.72 2qq4 n SER 18 Ca -0.02 -2.96 -0.40 0.00 1.01 0.00 0.00 58.87 56.49 2qq4 n SER 18 Cb 0.45 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.37 1.85 -2.96 1.43 -0.04 -0.62 -4.60 135.00 131.42 2qq4 n PRO 19 Ca 0.25 0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 64.08 2qq4 n PRO 19 Cb 0.47 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 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 -2.35 3.68 -1.42 0.54 3.00 -1.26 -4.23 118.95 116.91 2qq4 s ARG 20 Ca 0.63 0.26 -0.11 0.00 0.00 0.00 0.00 55.73 56.51 2qq4 s ARG 20 Cb -0.48 -2.47 0.08 0.00 0.00 0.00 0.00 34.95 32.08 2qq4 s ARG 20 CO 0.56 0.01 0.65 0.09 0.00 0.00 0.00 175.30 176.61 2qq4 n ASN 21 N -1.40 -4.14 -4.61 0.23 5.03 -1.26 -4.64 115.26 104.47 2qq4 n ASN 21 Ca 0.01 -0.55 -0.39 0.00 0.87 0.00 0.00 54.58 54.51 2qq4 n ASN 21 Cb 0.54 -3.38 -0.09 0.00 -1.02 0.00 0.00 39.78 35.84 2qq4 n ASN 21 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2qq4 s PHE 22 N -3.08 3.25 0.00 3.10 5.36 -1.26 -1.36 117.98 123.99 2qq4 s PHE 22 Ca 0.50 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2qq4 s PHE 22 Cb -0.26 -2.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 2qq4 s PHE 22 CO 0.62 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.55 2qq4 n GLY 23 N 4.63 2.97 3.75 13.12 0.00 0.05 -4.92 105.19 124.80 2qq4 n GLY 23 Ca -0.08 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.93 2.55 -0.26 1.61 -7.23 -1.26 -3.99 120.40 109.91 2qq4 s VAL 24 Ca 0.00 0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2qq4 s VAL 24 Cb 0.00 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.82 2qq4 s VAL 24 CO 0.00 -0.06 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.44 2qq4 s LEU 25 N -3.92 3.31 0.47 1.32 2.96 -1.26 -5.03 118.68 116.52 2qq4 s LEU 25 Ca 0.76 -1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 2qq4 s LEU 25 Cb -0.32 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 2qq4 s LEU 25 CO 0.35 -0.16 1.25 -2.16 -1.32 0.00 0.00 176.35 174.32 2qq4 s PRO 26 N 1.25 3.64 -1.59 0.98 0.04 -1.26 -2.94 135.00 135.12 2qq4 s PRO 26 Ca -0.03 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 2qq4 s PRO 26 Cb -0.18 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2qq4 s PRO 26 CO -0.05 -0.71 0.32 1.04 0.04 0.00 0.00 177.00 177.64 2qq4 n GLN 27 N -0.47 -3.28 -1.89 4.56 6.02 -1.26 -4.92 117.38 116.15 2qq4 n GLN 27 Ca 0.07 0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 57.56 2qq4 n GLN 27 Cb 0.46 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 26.07 2qq4 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qq4 s ALA 28 N -3.08 3.71 0.19 -1.58 0.00 -1.15 -4.81 121.76 115.04 2qq4 s ALA 28 Ca 0.16 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2qq4 s ALA 28 Cb -0.07 -3.70 0.11 0.00 0.00 0.00 0.00 23.12 19.46 2qq4 s ALA 28 CO 0.19 -1.11 1.83 1.15 0.00 0.00 0.00 175.76 177.82 2qq4 h THR 29 N 4.74 1.19 -2.75 0.00 2.02 -0.33 -3.46 112.91 114.31 2qq4 h THR 29 Ca -0.43 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.39 2qq4 h THR 29 Cb 1.20 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 67.80 2qq4 h THR 29 CO 0.93 0.20 0.32 -0.75 0.37 0.00 0.00 175.52 176.58 2qq4 s LYS 30 N -5.98 1.30 0.01 6.66 2.20 -1.09 -5.01 119.74 117.83 2qq4 s LYS 30 Ca -0.13 -0.59 -0.22 0.00 -0.36 0.00 0.00 55.97 54.67 2qq4 s LYS 30 Cb 0.14 0.52 0.05 0.00 -1.51 0.00 0.00 37.83 37.03 2qq4 s LYS 30 CO 0.77 -0.58 0.49 1.14 -0.36 0.00 0.00 175.35 176.82 2qq4 s GLN 31 N -3.59 0.95 0.02 4.03 -2.07 -1.26 -1.15 119.66 116.59 2qq4 s GLN 31 Ca 0.06 -0.15 -0.01 0.00 -1.82 0.00 0.00 55.36 53.45 2qq4 s GLN 31 Cb -0.02 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2qq4 s GLN 31 CO -0.05 -0.32 -0.02 0.00 -1.32 0.00 0.00 175.29 173.58 2qq4 s ALA 32 N -1.98 0.14 0.33 2.60 0.00 -0.51 -4.77 121.76 117.58 2qq4 s ALA 32 Ca -0.08 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.33 2qq4 s ALA 32 Cb -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2qq4 s ALA 32 CO 0.02 -0.19 0.09 0.20 0.00 0.00 0.00 175.76 175.88 2qq4 s GLY 33 N -1.63 1.94 -0.04 0.00 0.00 -1.26 -1.10 107.32 105.22 2qq4 s GLY 33 Ca -0.13 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 42.57 2qq4 s GLY 33 CO -0.02 -1.78 0.40 -0.32 0.00 0.00 0.00 173.10 171.38 2qq4 s GLY 34 N -3.79 -0.26 -0.01 0.20 0.00 -0.06 -4.80 107.32 98.60 2qq4 s GLY 34 Ca 0.36 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.72 2qq4 s GLY 34 CO 0.22 0.39 -0.05 1.06 0.00 0.00 0.00 173.10 174.71 2qq4 s MET 35 N -1.14 0.54 -0.54 2.90 -1.94 -1.26 -1.78 119.30 116.07 2qq4 s MET 35 Ca -0.12 -0.18 0.06 0.00 -1.71 0.00 0.00 55.69 53.74 2qq4 s MET 35 Cb -0.04 -0.54 0.22 0.00 2.01 0.00 0.00 34.83 36.49 2qq4 s MET 35 CO 0.05 0.08 0.57 -1.71 -0.01 0.00 0.00 175.02 174.00 2qq4 n ASN 36 N 3.17 1.83 0.15 3.03 5.15 -0.33 -4.96 115.26 123.30 2qq4 n ASN 36 Ca -0.16 -3.00 0.19 0.00 -0.60 0.00 0.00 54.58 51.01 2qq4 n ASN 36 Cb 0.56 -0.66 0.78 0.00 -0.53 0.00 0.00 39.78 39.94 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 4.54 0.00 -0.09 1.20 0.13 -1.93 0.14 132.00 136.00 2qq4 h PRO 37 Ca 0.16 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.32 2qq4 h PRO 37 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 2qq4 h PRO 37 CO 0.62 0.00 0.12 1.03 -0.23 0.00 0.00 178.00 179.55 2qq4 h SER 38 N 0.00 0.00 0.00 1.44 0.87 -1.95 -3.09 113.55 110.82 2qq4 h SER 38 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2qq4 h SER 38 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2qq4 h SER 38 CO -0.00 0.00 -0.95 0.00 -0.53 0.00 0.00 176.83 175.35 2qq4 n GLY 40 N 3.03 1.65 3.86 0.00 0.00 0.37 -4.94 105.19 109.16 2qq4 n GLY 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 6.67 -0.02 1.61 1.01 -1.01 -4.64 116.67 118.30 2qq4 s ASP 41 Ca 0.00 0.84 -0.01 0.00 0.71 0.00 0.00 52.55 54.09 2qq4 s ASP 41 Cb 0.00 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.74 2qq4 s ASP 41 CO 0.00 0.13 0.04 -1.58 0.21 0.00 0.00 175.17 173.97 2qq4 s GLN 42 N -2.03 0.04 0.00 8.23 0.74 -0.08 -1.19 119.66 125.38 2qq4 s GLN 42 Ca 0.35 0.07 -0.14 0.00 0.05 0.00 0.00 55.36 55.70 2qq4 s GLN 42 Cb -0.14 -0.00 0.02 0.00 1.10 0.00 0.00 33.01 33.99 2qq4 s GLN 42 CO 0.19 -0.02 0.29 0.54 -0.55 0.00 0.00 175.29 175.74 2qq4 s VAL 43 N 0.11 0.07 -0.07 1.34 0.11 -0.73 -1.50 120.40 119.73 2qq4 s VAL 43 Ca -0.01 -0.57 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2qq4 s VAL 43 Cb -0.01 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2qq4 s VAL 43 CO -0.00 -0.31 -0.04 -1.61 -3.33 0.00 0.00 175.10 169.81 2qq4 s GLU 44 N -1.70 0.95 -0.13 1.54 0.41 0.47 -0.88 118.70 119.37 2qq4 s GLU 44 Ca -0.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 54.97 54.36 2qq4 s GLU 44 Cb -0.04 -1.09 -0.03 0.00 -1.78 0.00 0.00 34.13 31.19 2qq4 s GLU 44 CO 0.02 -0.20 -0.05 0.08 -0.49 0.00 0.00 175.26 174.61 2qq4 s VAL 45 N 1.49 3.80 -0.04 2.63 1.01 -0.26 -0.72 120.40 128.30 2qq4 s VAL 45 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2qq4 s VAL 45 Cb -0.13 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2qq4 s VAL 45 CO -0.04 0.53 -0.19 -0.04 0.00 0.00 0.00 175.10 175.36 2qq4 s MET 46 N -0.01 1.95 0.09 2.72 -1.94 -0.14 -1.42 119.30 120.54 2qq4 s MET 46 Ca 0.00 -0.70 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 2qq4 s MET 46 Cb -0.13 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.97 2qq4 s MET 46 CO 0.03 0.30 -0.16 0.14 -0.01 0.00 0.00 175.02 175.32 2qq4 s VAL 47 N -0.08 1.34 -0.26 -6.03 -7.23 -0.30 -1.43 120.40 106.41 2qq4 s VAL 47 Ca -0.02 -1.44 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2qq4 s VAL 47 Cb -0.12 -1.29 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2qq4 s VAL 47 CO 0.02 -0.20 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.33 2qq4 s LEU 48 N -1.89 3.43 -0.08 1.32 0.20 -0.31 0.47 118.68 121.83 2qq4 s LEU 48 Ca 0.02 -1.13 -0.04 0.00 0.69 0.00 0.00 54.13 53.67 2qq4 s LEU 48 Cb -0.09 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 2qq4 s LEU 48 CO 0.03 -0.18 0.11 -0.76 -0.29 0.00 0.00 176.35 175.26 2qq4 s LEU 49 N 1.24 4.17 -0.30 -0.68 1.43 -1.26 -0.86 118.68 122.42 2qq4 s LEU 49 Ca -0.04 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2qq4 s LEU 49 Cb -0.18 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 43.99 2qq4 s LEU 49 CO -0.04 0.36 0.15 -1.61 0.23 0.00 0.00 176.35 175.44 2qq4 s GLU 50 N -1.27 0.24 6.87 1.70 2.02 -0.65 -4.89 118.70 122.71 2qq4 s GLU 50 Ca 0.18 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.55 2qq4 s GLU 50 Cb -0.12 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 32.96 2qq4 s GLU 50 CO 0.08 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 174.72 2qq4 n GLY 51 N 5.09 1.17 1.05 -1.39 0.00 -1.26 -2.69 105.19 107.15 2qq4 n GLY 51 Ca -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 7.82 4.12 -4.37 1.61 5.75 -1.26 -4.98 116.55 125.24 2qq4 n ASP 52 Ca 0.00 -2.91 -0.30 0.00 -0.01 0.00 0.00 54.79 51.57 2qq4 n ASP 52 Cb 0.00 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.40 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 -2.64 2.28 -0.66 2.12 2.01 -1.10 -0.37 115.64 117.29 2qq4 s THR 53 Ca 0.43 -1.35 -0.23 0.00 0.31 0.00 0.00 61.69 60.85 2qq4 s THR 53 Cb 0.34 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 71.01 2qq4 s THR 53 CO 0.11 0.36 0.99 -0.63 -0.69 0.00 0.00 174.62 174.76 2qq4 s ILE 54 N -0.83 4.27 0.13 1.82 1.01 0.56 -1.64 121.20 126.53 2qq4 s ILE 54 Ca 0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 2qq4 s ILE 54 Cb -0.10 -4.69 -0.03 0.00 0.01 0.00 0.00 42.46 37.64 2qq4 s ILE 54 CO 0.03 -1.46 1.50 0.00 0.00 0.00 0.00 174.94 175.01 2qq4 h ALA 55 N 9.59 0.56 -2.70 9.38 0.00 -1.31 0.37 119.26 135.14 2qq4 h ALA 55 Ca -0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 2qq4 h ALA 55 Cb 1.07 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2qq4 h ALA 55 CO 1.18 0.53 -0.19 0.34 0.00 0.00 0.00 179.25 181.10 2qq4 s ASP 56 N -6.57 -0.07 -0.15 0.00 3.68 -1.09 -4.42 116.67 108.04 2qq4 s ASP 56 Ca -0.12 -0.63 -0.29 0.00 2.13 0.00 0.00 52.55 53.64 2qq4 s ASP 56 Cb 0.10 0.46 0.09 0.00 -1.45 0.00 0.00 42.92 42.13 2qq4 s ASP 56 CO 0.84 -0.90 0.83 -0.51 0.13 0.00 0.00 175.17 175.56 2qq4 s ILE 57 N -3.90 0.00 0.18 4.11 2.07 -1.26 -1.16 121.20 121.24 2qq4 s ILE 57 Ca 0.10 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.22 2qq4 s ILE 57 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2qq4 s ILE 57 CO -0.05 0.00 0.38 -0.13 -1.91 0.00 0.00 174.94 173.23 2qq4 s ARG 58 N -0.76 1.25 0.05 3.50 0.52 -0.51 -4.83 118.95 118.17 2qq4 s ARG 58 Ca -0.05 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.10 2qq4 s ARG 58 Cb -0.01 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 35.85 2qq4 s ARG 58 CO 0.04 -0.49 -0.03 -0.59 0.02 0.00 0.00 175.30 174.25 2qq4 s PHE 59 N -3.93 0.53 0.20 -0.53 -0.12 -0.47 -0.97 117.98 112.69 2qq4 s PHE 59 Ca 0.14 -1.00 -0.03 0.00 -0.05 0.00 0.00 56.93 56.00 2qq4 s PHE 59 Cb 0.02 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2qq4 s PHE 59 CO -0.01 -0.34 0.17 -0.65 -0.05 0.00 0.00 175.22 174.34 2qq4 s GLN 60 N -3.66 1.22 0.00 1.99 -0.21 0.10 -0.77 119.66 118.32 2qq4 s GLN 60 Ca 0.05 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 53.88 2qq4 s GLN 60 Cb 0.06 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.36 2qq4 s GLN 60 CO -0.09 -0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 2qq4 n GLY 61 N -0.27 0.74 3.50 3.09 0.00 -1.26 -0.39 105.19 110.60 2qq4 n GLY 61 Ca 0.01 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 2qq4 n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qq4 s GLN 62 N -1.16 1.03 0.00 1.61 -2.07 -0.56 -4.99 119.66 113.51 2qq4 s GLN 62 Ca 0.00 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.76 2qq4 s GLN 62 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 2qq4 s GLN 62 CO 0.00 -0.32 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2qq4 n GLY 63 N 0.93 -0.71 3.63 2.60 0.00 -1.26 -0.90 105.19 109.48 2qq4 n GLY 63 Ca -0.19 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2qq4 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 h ALA 65 N -2.01 1.41 -0.14 0.00 0.00 -1.99 -2.28 119.26 114.26 2qq4 h ALA 65 Ca -0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2qq4 h ALA 65 Cb 1.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qq4 h ALA 65 CO 0.53 0.51 0.07 0.82 0.00 0.00 0.00 179.25 181.18 2qq4 h ILE 66 N 0.98 1.11 -0.47 0.00 2.04 -1.92 -0.15 117.51 119.10 2qq4 h ILE 66 Ca 0.26 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2qq4 h ILE 66 Cb -0.04 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2qq4 h ILE 66 CO -0.05 0.10 -0.08 0.77 0.00 0.00 0.00 178.15 178.89 2qq4 h SER 67 N 0.11 0.83 -0.34 1.72 4.64 -1.57 0.13 113.55 119.08 2qq4 h SER 67 Ca 0.05 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2qq4 h SER 67 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2qq4 h SER 67 CO -0.01 0.95 -0.16 0.74 -0.87 0.00 0.00 176.83 177.48 2qq4 h THR 68 N 0.77 1.29 -0.27 2.95 2.02 -1.31 -0.34 112.91 118.01 2qq4 h THR 68 Ca 0.13 -1.27 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 2qq4 h THR 68 Cb 0.58 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2qq4 h THR 68 CO 0.04 0.41 -0.28 0.00 0.37 0.00 0.00 175.52 176.06 2qq4 h ALA 69 N 0.78 1.00 -0.45 6.16 0.00 -0.88 -0.47 119.26 125.41 2qq4 h ALA 69 Ca 0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2qq4 h ALA 69 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qq4 h ALA 69 CO 0.05 0.59 -0.09 1.03 0.00 0.00 0.00 179.25 180.84 2qq4 h SER 70 N 0.48 0.85 -0.08 0.00 0.87 -0.62 -0.48 113.55 114.57 2qq4 h SER 70 Ca 0.06 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2qq4 h SER 70 Cb 0.73 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2qq4 h SER 70 CO 0.06 1.00 0.04 0.00 -0.53 0.00 0.00 176.83 177.39 2qq4 h ALA 71 N 0.87 0.10 0.06 6.23 0.00 -0.71 0.35 119.26 126.17 2qq4 h ALA 71 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qq4 h ALA 71 Cb 0.62 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qq4 h ALA 71 CO 0.04 -0.34 -0.04 1.03 0.00 0.00 0.00 179.25 179.94 2qq4 h SER 72 N 0.00 -0.10 -0.46 0.00 0.87 -1.01 -1.59 113.55 111.26 2qq4 h SER 72 Ca 0.03 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2qq4 h SER 72 Cb 0.12 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2qq4 h SER 72 CO -0.00 -0.07 0.23 -0.07 -0.53 0.00 0.00 176.83 176.39 2qq4 h LEU 73 N -0.10 0.63 -0.41 2.23 3.38 -1.02 -2.37 115.31 117.65 2qq4 h LEU 73 Ca -0.01 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2qq4 h LEU 73 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2qq4 h LEU 73 CO 0.01 0.55 -0.08 -0.03 0.09 0.00 0.00 178.44 178.97 2qq4 h MET 74 N 0.70 0.77 -0.77 1.13 4.05 -0.66 -1.52 114.93 118.64 2qq4 h MET 74 Ca 0.18 -0.29 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 2qq4 h MET 74 Cb 0.09 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 2qq4 h MET 74 CO -0.02 0.89 0.38 1.79 0.23 0.00 0.00 176.91 180.18 2qq4 h THR 75 N 0.59 1.24 -0.10 -0.77 1.35 -0.94 -2.00 112.91 112.28 2qq4 h THR 75 Ca 0.10 -0.68 -0.10 0.00 -0.55 0.00 0.00 66.41 65.19 2qq4 h THR 75 Cb 0.60 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 2qq4 h THR 75 CO 0.04 0.29 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.90 2qq4 h GLU 76 N 1.08 0.21 0.00 4.72 5.08 -1.33 -2.14 114.58 122.21 2qq4 h GLU 76 Ca 0.27 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2qq4 h GLU 76 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2qq4 h GLU 76 CO -0.03 0.56 -0.55 0.00 -1.00 0.00 0.00 179.01 177.98 2qq4 h ALA 77 N 1.44 0.80 0.00 3.43 0.00 -0.72 -3.36 119.26 120.85 2qq4 h ALA 77 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qq4 h ALA 77 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2qq4 h ALA 77 CO 0.06 0.69 -1.49 1.33 0.00 0.00 0.00 179.25 179.83 2qq4 n VAL 78 N -3.46 0.00 -1.67 0.00 0.24 -0.81 -4.90 118.33 107.73 2qq4 n VAL 78 Ca 0.00 -0.30 -0.46 0.00 -2.04 0.00 0.00 64.34 61.54 2qq4 n VAL 78 Cb 0.66 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.89 2.18 -0.98 7.34 4.81 -0.81 -1.06 118.16 127.75 2qq4 n LYS 79 Ca -0.02 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2qq4 n LYS 79 Cb 0.35 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.83 2qq4 n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qq4 n GLY 80 N 3.52 0.57 3.96 3.14 0.00 0.13 -5.03 105.19 111.48 2qq4 n GLY 80 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.02 2.78 0.21 1.61 -0.14 -0.23 -4.80 119.74 119.16 2qq4 s LYS 81 Ca 0.00 -1.29 -0.30 0.00 -1.36 0.00 0.00 55.97 53.02 2qq4 s LYS 81 Cb 0.00 -2.64 -0.08 0.00 -1.68 0.00 0.00 37.83 33.42 2qq4 s LYS 81 CO 0.00 -0.17 0.94 0.15 -0.76 0.00 0.00 175.35 175.51 2qq4 s LYS 82 N -4.24 4.82 0.26 1.68 -0.14 -1.26 -0.32 119.74 120.54 2qq4 s LYS 82 Ca 0.51 1.48 -0.03 0.00 -1.36 0.00 0.00 55.97 56.56 2qq4 s LYS 82 Cb -0.08 -3.30 0.55 0.00 -1.68 0.00 0.00 37.83 33.32 2qq4 s LYS 82 CO 0.31 0.45 1.64 0.28 -0.76 0.00 0.00 175.35 177.27 2qq4 h VAL 83 N 3.35 0.33 -0.80 3.17 2.07 -1.04 0.46 116.25 123.79 2qq4 h VAL 83 Ca -0.45 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2qq4 h VAL 83 Cb 1.20 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2qq4 h VAL 83 CO 0.69 0.03 0.46 0.00 0.02 0.00 0.00 177.57 178.77 2qq4 h ALA 84 N 1.74 1.03 -0.01 1.67 0.00 -1.93 -1.38 119.26 120.39 2qq4 h ALA 84 Ca 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qq4 h ALA 84 Cb 0.88 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qq4 h ALA 84 CO -0.66 0.52 0.01 0.93 0.00 0.00 0.00 179.25 180.04 2qq4 h GLU 85 N 1.11 0.02 -0.60 0.00 5.08 -0.58 -0.27 114.58 119.33 2qq4 h GLU 85 Ca 0.29 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.73 2qq4 h GLU 85 Cb 0.00 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2qq4 h GLU 85 CO -0.05 0.09 0.23 0.00 -1.00 0.00 0.00 179.01 178.29 2qq4 h ALA 86 N 0.92 0.78 -0.25 3.43 0.00 -0.55 0.16 119.26 123.74 2qq4 h ALA 86 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qq4 h ALA 86 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qq4 h ALA 86 CO -0.00 -0.18 -0.02 -0.07 0.00 0.00 0.00 179.25 178.98 2qq4 h LEU 87 N 0.42 0.35 -0.37 0.00 3.38 -0.97 -0.35 115.31 117.77 2qq4 h LEU 87 Ca 0.30 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2qq4 h LEU 87 Cb 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qq4 h LEU 87 CO -0.29 0.43 -0.09 -0.08 0.09 0.00 0.00 178.44 178.50 2qq4 h GLU 88 N 0.37 0.72 -0.58 1.13 4.57 0.10 -0.78 114.58 120.11 2qq4 h GLU 88 Ca 0.08 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 2qq4 h GLU 88 Cb 0.28 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2qq4 h GLU 88 CO 0.01 0.87 0.19 -0.07 -1.18 0.00 0.00 179.01 178.83 2qq4 h LEU 89 N 0.52 0.79 -0.93 1.64 3.38 -0.22 -1.06 115.31 119.43 2qq4 h LEU 89 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2qq4 h LEU 89 Cb 0.60 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qq4 h LEU 89 CO 0.04 0.74 -0.09 -1.28 0.09 0.00 0.00 178.44 177.93 2qq4 h SER 90 N 0.84 0.66 0.34 -0.43 0.87 -0.75 0.16 113.55 115.25 2qq4 h SER 90 Ca 0.19 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2qq4 h SER 90 Cb 0.22 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2qq4 h SER 90 CO -0.01 0.79 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.82 2qq4 h ARG 91 N 0.62 -0.44 -0.88 2.24 1.12 -0.32 -1.01 114.38 115.72 2qq4 h ARG 91 Ca 0.11 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.00 2qq4 h ARG 91 Cb 0.52 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.54 2qq4 h ARG 91 CO 0.03 -0.20 0.48 0.87 -3.11 0.00 0.00 179.97 178.04 2qq4 h LYS 92 N -0.61 1.22 -0.15 0.20 1.57 -1.05 -0.51 116.57 117.24 2qq4 h LYS 92 Ca -0.05 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2qq4 h LYS 92 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2qq4 h LYS 92 CO 0.08 0.90 0.06 0.35 -0.57 0.00 0.00 179.45 180.26 2qq4 h PHE 93 N 1.22 0.23 -0.03 -1.35 3.57 -0.55 -1.52 116.94 118.50 2qq4 h PHE 93 Ca 0.31 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 2qq4 h PHE 93 Cb 0.03 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2qq4 h PHE 93 CO 0.01 0.30 -0.38 1.96 -2.23 0.00 0.00 178.31 177.96 2qq4 h GLN 94 N 0.09 0.06 -0.22 1.11 4.20 -1.04 -1.35 115.11 117.97 2qq4 h GLN 94 Ca 0.05 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2qq4 h GLN 94 Cb 0.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2qq4 h GLN 94 CO -0.00 0.44 -0.20 0.00 -0.67 0.00 0.00 178.83 178.40 2qq4 h ALA 95 N 1.56 1.26 -0.02 3.87 0.00 -0.76 0.79 119.26 125.97 2qq4 h ALA 95 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2qq4 h ALA 95 Cb 0.70 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qq4 h ALA 95 CO 0.05 0.49 -0.27 1.98 0.00 0.00 0.00 179.25 181.50 2qq4 h MET 96 N 0.35 0.21 0.10 0.00 1.85 -0.70 -1.64 114.93 115.10 2qq4 h MET 96 Ca 0.06 -0.21 -0.26 0.00 -0.61 0.00 0.00 59.70 58.68 2qq4 h MET 96 Cb 0.55 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.63 2qq4 h MET 96 CO 0.04 0.91 -1.19 0.28 -0.40 0.00 0.00 176.91 176.55 2qq4 h VAL 97 N -0.41 1.55 0.06 -5.77 2.07 -1.16 -2.32 116.25 110.27 2qq4 h VAL 97 Ca -0.03 -3.15 -0.38 0.00 0.82 0.00 0.00 66.70 63.96 2qq4 h VAL 97 Cb 0.99 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.64 2qq4 h VAL 97 CO 0.05 0.91 -2.23 0.52 0.02 0.00 0.00 177.57 176.85 2qq4 n VAL 98 N -3.49 1.63 1.00 2.57 0.31 0.28 -3.70 118.33 116.92 2qq4 n VAL 98 Ca -0.07 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 63.79 2qq4 n VAL 98 Cb 1.01 -1.59 0.06 0.00 -0.91 0.00 0.00 33.84 32.40 2qq4 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qq4 n GLU 99 N -3.42 1.90 -0.86 5.55 1.02 -0.70 -4.94 120.64 119.20 2qq4 n GLU 99 Ca -0.39 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2qq4 n GLU 99 Cb 1.01 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2qq4 n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qq4 n GLY 100 N 1.38 0.00 3.57 0.62 0.00 -0.73 -4.91 105.19 105.11 2qq4 n GLY 100 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2qq4 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qq4 n ALA 101 N 0.91 -0.90 -1.71 4.61 0.00 -0.79 -4.84 120.51 117.78 2qq4 n ALA 101 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 2qq4 n ALA 101 Cb 0.41 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 2qq4 n ALA 101 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2qq4 s PRO 102 N -3.48 3.92 -0.08 0.00 0.02 -1.26 -4.47 135.00 129.66 2qq4 s PRO 102 Ca 0.68 2.41 -0.28 0.00 0.02 0.00 0.00 61.00 63.83 2qq4 s PRO 102 Cb -0.31 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.01 2qq4 s PRO 102 CO 0.55 -1.19 0.93 -1.25 -0.33 0.00 0.00 177.00 175.71 2qq4 s PRO 103 N 4.81 4.45 0.78 5.54 0.04 -1.26 -4.98 135.00 144.38 2qq4 s PRO 103 Ca 0.89 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2qq4 s PRO 103 Cb -0.39 -3.51 0.06 0.00 0.04 0.00 0.00 34.50 30.70 2qq4 s PRO 103 CO 0.39 -0.18 1.09 0.16 0.04 0.00 0.00 177.00 178.49 2qq4 s ASP 104 N 1.04 4.61 0.09 6.66 1.47 -1.26 -4.92 116.67 124.36 2qq4 s ASP 104 Ca 0.46 1.38 0.17 0.00 1.18 0.00 0.00 52.55 55.75 2qq4 s ASP 104 Cb -0.19 -2.14 0.72 0.00 -0.34 0.00 0.00 42.92 40.97 2qq4 s ASP 104 CO 0.20 -1.90 1.53 -0.81 0.68 0.00 0.00 175.17 174.86 2qq4 n PRO 105 N -3.40 0.07 0.00 2.11 -0.04 -1.26 -2.89 135.00 129.59 2qq4 n PRO 105 Ca 0.07 0.33 0.05 0.00 -0.04 0.00 0.00 63.50 63.91 2qq4 n PRO 105 Cb 0.56 -1.64 0.28 0.00 -0.04 0.00 0.00 33.50 32.66 2qq4 n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qq4 n THR 106 N -1.76 0.00 0.26 0.52 -2.24 -1.26 -0.34 114.28 109.46 2qq4 n THR 106 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 2qq4 n THR 106 Cb 0.18 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.65 2qq4 n THR 106 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qq4 n LEU 107 N -0.89 0.51 0.00 3.22 4.77 -1.14 -5.02 117.00 118.45 2qq4 n LEU 107 Ca 0.07 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2qq4 n LEU 107 Cb 0.03 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2qq4 n LEU 107 CO 0.05 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2qq4 n GLY 108 N 1.28 3.25 0.32 -0.72 0.00 0.53 -1.06 105.19 108.80 2qq4 n GLY 108 Ca -0.00 0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 0.17 1.61 3.32 -1.95 -0.90 116.42 118.66 2qq4 h ASP 109 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qq4 h ASP 109 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qq4 h ASP 109 CO 0.00 0.00 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.44 2qq4 h LEU 110 N 0.00 0.00 -2.44 1.55 3.38 -1.46 -1.37 115.31 114.97 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qq4 h LEU 110 CO 0.00 0.01 0.06 -0.07 0.09 0.00 0.00 178.44 178.54 2qq4 h LEU 111 N 0.00 0.00 -1.97 1.67 3.38 -1.29 -1.54 115.31 115.56 2qq4 h LEU 111 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2qq4 h LEU 111 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2qq4 h LEU 111 CO 0.00 0.00 0.28 0.00 0.09 0.00 0.00 178.44 178.81 2qq4 h ALA 112 N 1.87 2.33 -0.47 1.53 0.00 -1.46 -0.25 119.26 122.80 2qq4 h ALA 112 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qq4 h ALA 112 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qq4 h ALA 112 CO 0.00 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.09 2qq4 n LEU 113 N -4.43 3.86 0.06 0.00 4.77 -0.58 -4.46 117.00 116.23 2qq4 n LEU 113 Ca 0.06 -1.95 0.05 0.00 -0.03 0.00 0.00 56.01 54.14 2qq4 n LEU 113 Cb 0.45 -0.53 0.48 0.00 -2.33 0.00 0.00 43.42 41.49 2qq4 n LEU 113 CO 0.36 0.60 1.14 -0.61 -1.33 0.00 0.00 177.39 177.55 2qq4 h GLN 114 N 3.03 0.41 0.00 3.23 4.15 -1.19 -2.42 115.11 122.31 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 1.25 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2qq4 h GLN 114 CO 0.22 0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.80 2qq4 n GLY 115 N -1.49 -0.97 0.30 2.39 0.00 -1.26 -2.63 105.19 101.53 2qq4 n GLY 115 Ca 0.02 0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.25 2qq4 n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qq4 h VAL 116 N 0.00 0.05 0.00 1.61 2.07 -1.78 -1.94 116.25 116.26 2qq4 h VAL 116 Ca 0.00 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2qq4 h VAL 116 Cb 0.21 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2qq4 h VAL 116 CO 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 2qq4 h ALA 117 N 1.99 1.75 -0.42 1.67 0.00 -1.58 -0.68 119.26 122.00 2qq4 h ALA 117 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qq4 h ALA 117 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qq4 h ALA 117 CO 0.00 0.13 0.00 1.63 0.00 0.00 0.00 179.25 181.01 2qq4 n LYS 118 N -4.31 2.03 -3.66 0.00 5.02 -0.73 -4.53 118.16 111.99 2qq4 n LYS 118 Ca -0.03 -1.59 -0.28 0.00 -2.02 0.00 0.00 58.31 54.40 2qq4 n LYS 118 Cb 0.18 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 2qq4 n LYS 118 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qq4 s LEU 119 N -1.09 3.16 0.32 -0.35 1.43 -0.26 -4.99 118.68 116.89 2qq4 s LEU 119 Ca 0.31 -3.45 0.09 0.00 -1.03 0.00 0.00 54.13 50.05 2qq4 s LEU 119 Cb 0.16 -1.05 0.89 0.00 0.03 0.00 0.00 46.19 46.22 2qq4 s LEU 119 CO 0.22 -0.13 1.71 -0.65 0.23 0.00 0.00 176.35 177.73 2qq4 h PRO 120 N 5.55 0.49 0.00 1.29 0.11 -1.80 0.39 132.00 138.03 2qq4 h PRO 120 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qq4 h PRO 120 Cb 0.83 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qq4 h PRO 120 CO 0.55 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 2qq4 n ALA 121 N -2.35 2.36 -0.07 -0.75 0.00 -1.26 -3.06 120.51 115.39 2qq4 n ALA 121 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2qq4 n ALA 121 Cb 0.77 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.75 3.64 -0.29 0.00 5.12 0.11 -4.77 116.66 119.71 2qq4 n ARG 122 Ca 0.10 -0.10 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 2qq4 n ARG 122 Cb 0.04 -0.50 0.19 0.00 -1.16 0.00 0.00 32.46 31.03 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 0.07 0.82 0.00 1.55 2.07 -1.42 -0.24 116.25 119.10 2qq4 h VAL 123 Ca 0.00 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2qq4 h VAL 123 Cb 0.03 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2qq4 h VAL 123 CO 0.00 0.13 -0.08 0.11 0.02 0.00 0.00 177.57 177.75 2qq4 h LYS 124 N 0.71 0.00 -0.33 1.57 1.57 -1.86 -0.62 116.57 117.61 2qq4 h LYS 124 Ca 0.43 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.05 2qq4 h LYS 124 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qq4 h LYS 124 CO -0.30 0.08 -0.43 0.00 -0.57 0.00 0.00 179.45 178.23 2qq4 h ALA 126 N 0.84 -0.15 0.00 0.00 0.00 -1.14 -3.28 119.26 115.52 2qq4 h ALA 126 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qq4 h ALA 126 Cb 1.01 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qq4 h ALA 126 CO 0.10 0.63 0.00 0.25 0.00 0.00 0.00 179.25 180.23 2qq4 n THR 127 N -3.80 0.48 -0.11 0.00 -2.24 -0.27 -4.22 114.28 104.12 2qq4 n THR 127 Ca -0.16 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 2qq4 n THR 127 Cb 1.05 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2qq4 n THR 127 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qq4 h LEU 128 N 0.00 -0.16 -1.40 3.22 5.85 -1.55 -1.17 115.31 120.10 2qq4 h LEU 128 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2qq4 h LEU 128 Cb 0.69 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2qq4 h LEU 128 CO 0.00 -0.05 -0.17 0.00 -0.34 0.00 0.00 178.44 177.88 2qq4 h ALA 129 N 1.33 1.50 -0.01 1.25 0.00 -1.83 -2.28 119.26 119.23 2qq4 h ALA 129 Ca 0.19 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2qq4 h ALA 129 Cb 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qq4 h ALA 129 CO -0.31 0.36 -0.96 -1.49 0.00 0.00 0.00 179.25 176.84 2qq4 h TRP 130 N 0.17 0.80 -0.70 0.00 4.06 -1.61 -0.96 115.95 117.72 2qq4 h TRP 130 Ca 0.03 -0.43 -0.05 0.00 2.06 0.00 0.00 58.89 60.50 2qq4 h TRP 130 Cb 0.41 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.45 2qq4 h TRP 130 CO 0.00 1.25 0.22 0.45 -3.56 0.00 0.00 178.44 176.81 2qq4 h HIS 131 N 0.32 1.12 -0.47 0.49 3.86 -1.07 -0.41 115.15 118.99 2qq4 h HIS 131 Ca -0.09 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 2qq4 h HIS 131 Cb 1.60 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 2qq4 h HIS 131 CO 0.08 0.89 0.26 0.00 0.86 0.00 0.00 177.93 180.02 2qq4 h ALA 132 N 1.10 0.60 0.13 2.45 0.00 -1.36 -0.34 119.26 121.84 2qq4 h ALA 132 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qq4 h ALA 132 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qq4 h ALA 132 CO -0.01 0.12 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 2qq4 h LEU 133 N 0.62 -0.31 -0.82 0.00 5.85 -0.77 0.13 115.31 120.01 2qq4 h LEU 133 Ca 0.16 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2qq4 h LEU 133 Cb 0.05 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2qq4 h LEU 133 CO -0.03 -0.18 0.47 -0.33 -0.34 0.00 0.00 178.44 178.03 2qq4 h GLU 134 N -0.27 0.76 -0.02 1.25 5.08 -0.83 0.77 114.58 121.32 2qq4 h GLU 134 Ca 0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2qq4 h GLU 134 Cb 0.25 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2qq4 h GLU 134 CO -0.03 0.50 -0.52 1.49 -1.00 0.00 0.00 179.01 179.45 2qq4 h GLU 135 N 0.79 0.05 0.00 2.33 4.81 -0.68 -0.19 114.58 121.69 2qq4 h GLU 135 Ca 0.40 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2qq4 h GLU 135 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2qq4 h GLU 135 CO -0.25 0.56 -0.30 0.00 -0.73 0.00 0.00 179.01 178.29 2qq4 h ALA 136 N 1.44 0.90 0.00 2.92 0.00 0.81 -3.21 119.26 122.12 2qq4 h ALA 136 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2qq4 h ALA 136 Cb 0.94 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2qq4 h ALA 136 CO 0.07 0.38 -1.59 1.28 0.00 0.00 0.00 179.25 179.39 2qq4 n LEU 137 N -3.31 0.48 0.00 0.00 4.77 0.11 -4.48 117.00 114.57 2qq4 n LEU 137 Ca 0.01 0.20 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 2qq4 n LEU 137 Cb 0.54 0.06 0.28 0.00 -2.33 0.00 0.00 43.42 41.97 2qq4 n LEU 137 CO 0.36 0.04 0.50 0.54 -1.33 0.00 0.00 177.39 177.50