#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 h VAL 2 N 0.00 1.34 0.00 -1.45 -1.51 -2.01 -3.25 116.25 109.37 2qa4 h VAL 2 Ca 0.00 -2.53 -0.02 0.00 -1.23 0.00 0.00 66.70 62.93 2qa4 h VAL 2 Cb 0.00 2.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2qa4 h VAL 2 CO 0.00 0.76 -0.49 0.10 -1.23 0.00 0.00 177.57 176.71 2qa4 h TYR 3 N 0.25 0.00 -2.90 5.19 -0.00 -1.98 -3.43 116.97 114.10 2qa4 h TYR 3 Ca -0.15 0.00 -0.55 0.00 0.00 0.00 0.00 58.73 58.03 2qa4 h TYR 3 Cb 1.82 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 38.48 2qa4 h TYR 3 CO 0.09 0.07 1.04 0.08 -0.00 0.00 0.00 178.16 179.44 2qa4 s VAL 4 N -3.23 3.87 -2.02 -0.90 1.01 -1.23 -4.86 120.40 113.05 2qa4 s VAL 4 Ca 0.03 0.72 0.20 0.00 0.00 0.00 0.00 61.98 62.94 2qa4 s VAL 4 Cb 0.07 -4.65 0.45 0.00 0.00 0.00 0.00 36.38 32.25 2qa4 s VAL 4 CO 0.73 -1.37 1.38 0.47 0.00 0.00 0.00 175.10 176.31 2qa4 n ASP 5 N 9.08 3.44 -3.48 3.32 8.00 -1.26 -4.70 116.55 130.94 2qa4 n ASP 5 Ca 0.09 -1.96 -0.13 0.00 0.71 0.00 0.00 54.79 53.50 2qa4 n ASP 5 Cb 0.49 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2qa4 n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qa4 s PHE 6 N -1.23 -0.54 -0.14 1.24 -0.12 -1.26 -5.13 117.98 110.80 2qa4 s PHE 6 Ca 0.38 0.59 -0.06 0.00 -0.05 0.00 0.00 56.93 57.78 2qa4 s PHE 6 Cb 0.21 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 43.06 2qa4 s PHE 6 CO 0.29 -0.69 0.09 0.34 -0.05 0.00 0.00 175.22 175.20 2qa4 s ASP 7 N -2.08 5.93 -0.28 1.98 2.15 -1.26 -4.99 116.67 118.13 2qa4 s ASP 7 Ca -0.02 0.27 -0.07 0.00 0.43 0.00 0.00 52.55 53.15 2qa4 s ASP 7 Cb -0.01 -1.92 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 2qa4 s ASP 7 CO -0.04 0.31 0.08 -0.69 -0.17 0.00 0.00 175.17 174.66 2qa4 s VAL 8 N -0.44 4.13 0.62 1.11 1.01 -1.26 -5.09 120.40 120.48 2qa4 s VAL 8 Ca 0.11 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2qa4 s VAL 8 Cb -0.12 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2qa4 s VAL 8 CO 0.02 0.18 0.75 -2.65 0.00 0.00 0.00 175.10 173.40 2qa4 n PRO 9 N 4.90 0.63 -0.26 2.72 -0.02 -1.26 -4.81 135.00 136.89 2qa4 n PRO 9 Ca -0.15 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2qa4 n PRO 9 Cb 0.49 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 32.11 2qa4 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qa4 h ALA 10 N 0.18 1.00 0.13 3.55 0.00 -1.99 -2.55 119.26 119.59 2qa4 h ALA 10 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2qa4 h ALA 10 Cb 1.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qa4 h ALA 10 CO 0.48 0.18 -0.06 -0.44 0.00 0.00 0.00 179.25 179.40 2qa4 h ASP 11 N 0.83 -0.15 -0.95 0.00 3.32 -1.99 -0.62 116.42 116.86 2qa4 h ASP 11 Ca 0.32 -0.19 0.15 0.00 0.02 0.00 0.00 57.03 57.33 2qa4 h ASP 11 Cb 0.13 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 2qa4 h ASP 11 CO -0.16 0.11 0.56 0.25 -1.72 0.00 0.00 179.24 178.28 2qa4 h LEU 12 N -0.42 0.76 -0.77 1.55 6.46 -1.93 0.14 115.31 121.10 2qa4 h LEU 12 Ca -0.02 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2qa4 h LEU 12 Cb 0.34 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 2qa4 h LEU 12 CO 0.03 0.34 0.31 -0.08 -0.62 0.00 0.00 178.44 178.43 2qa4 h GLU 13 N 0.81 1.14 -0.52 1.25 4.81 -1.21 -2.12 114.58 118.74 2qa4 h GLU 13 Ca 0.51 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2qa4 h GLU 13 Cb 0.65 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2qa4 h GLU 13 CO -0.33 0.92 0.29 -0.44 -0.73 0.00 0.00 179.01 178.72 2qa4 h ASP 14 N 1.11 0.65 -0.98 1.04 3.32 0.82 -2.70 116.42 119.68 2qa4 h ASP 14 Ca 0.26 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2qa4 h ASP 14 Cb 0.20 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 2qa4 h ASP 14 CO -0.02 0.55 0.63 0.44 -1.72 0.00 0.00 179.24 179.12 2qa4 h ASP 15 N 0.69 1.01 -0.24 6.45 3.32 -0.51 -1.60 116.42 125.55 2qa4 h ASP 15 Ca 0.18 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2qa4 h ASP 15 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2qa4 h ASP 15 CO -0.03 0.65 0.11 0.00 -1.72 0.00 0.00 179.24 178.24 2qa4 h ALA 16 N 1.47 0.31 -0.31 3.45 0.00 -1.09 -2.53 119.26 120.55 2qa4 h ALA 16 Ca 0.42 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2qa4 h ALA 16 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qa4 h ALA 16 CO -0.16 -0.12 -0.23 -0.07 0.00 0.00 0.00 179.25 178.66 2qa4 h LEU 17 N 0.24 0.61 -0.43 0.00 3.38 -1.22 -1.47 115.31 116.42 2qa4 h LEU 17 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qa4 h LEU 17 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2qa4 h LEU 17 CO -0.01 0.83 0.28 -0.33 0.09 0.00 0.00 178.44 179.30 2qa4 h GLU 18 N 0.53 0.56 -0.70 1.13 5.08 -1.19 -2.30 114.58 117.70 2qa4 h GLU 18 Ca 0.08 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2qa4 h GLU 18 Cb 0.69 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2qa4 h GLU 18 CO 0.05 0.38 0.17 0.00 -1.00 0.00 0.00 179.01 178.61 2qa4 h ALA 19 N 1.15 0.97 -0.20 3.43 0.00 -1.26 -2.68 119.26 120.67 2qa4 h ALA 19 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qa4 h ALA 19 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qa4 h ALA 19 CO -0.03 0.66 0.13 1.25 0.00 0.00 0.00 179.25 181.26 2qa4 h LEU 20 N 1.06 0.20 -0.18 0.00 5.85 -0.77 -0.55 115.31 120.92 2qa4 h LEU 20 Ca 0.22 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 2qa4 h LEU 20 Cb 0.37 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.36 2qa4 h LEU 20 CO 0.00 0.14 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.26 2qa4 h GLU 21 N 0.23 0.77 0.00 1.25 5.08 -1.08 -2.05 114.58 118.78 2qa4 h GLU 21 Ca 0.08 -0.58 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 2qa4 h GLU 21 Cb 0.02 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qa4 h GLU 21 CO -0.02 1.20 -0.49 -0.39 -1.00 0.00 0.00 179.01 178.31 2qa4 h VAL 22 N 0.49 0.93 -0.29 3.13 -1.51 -1.44 -3.11 116.25 114.44 2qa4 h VAL 22 Ca -0.03 -2.04 -0.13 0.00 -1.23 0.00 0.00 66.70 63.27 2qa4 h VAL 22 Cb 1.28 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 2qa4 h VAL 22 CO 0.14 0.48 -0.36 0.00 -1.23 0.00 0.00 177.57 176.59 2qa4 h ALA 23 N 1.51 0.83 0.00 5.19 0.00 -1.04 0.28 119.26 126.03 2qa4 h ALA 23 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qa4 h ALA 23 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qa4 h ALA 23 CO 0.06 0.64 0.00 0.07 0.00 0.00 0.00 179.25 180.03 2qa4 h ARG 24 N 0.54 0.00 0.00 0.00 0.11 -1.30 0.35 114.38 114.08 2qa4 h ARG 24 Ca 0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.09 2qa4 h ARG 24 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.95 2qa4 h ARG 24 CO 0.08 0.00 -1.98 -0.25 0.10 0.00 0.00 179.97 177.92 2qa4 n ASP 25 N -2.52 0.32 -0.04 0.08 8.00 -0.94 -4.77 116.55 116.67 2qa4 n ASP 25 Ca 0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2qa4 n ASP 25 Cb 0.30 1.82 -0.03 0.00 -0.02 0.00 0.00 41.12 43.19 2qa4 n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2qa4 n THR 26 N -2.27 0.98 0.00 -3.53 -1.04 0.05 -5.07 114.28 103.40 2qa4 n THR 26 Ca -0.07 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2qa4 n THR 26 Cb 0.60 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 2qa4 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qa4 n GLY 27 N 2.33 0.50 3.13 3.41 0.00 0.10 -4.81 105.19 109.86 2qa4 n GLY 27 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2qa4 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 28 N -3.13 -0.68 0.12 4.61 0.00 0.12 -4.83 121.76 117.97 2qa4 s ALA 28 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.00 2qa4 s ALA 28 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2qa4 s ALA 28 CO 0.00 -0.18 -0.14 0.14 0.00 0.00 0.00 175.76 175.58 2qa4 s VAL 29 N 0.78 1.33 -0.10 0.00 -7.23 -1.26 -1.22 120.40 112.70 2qa4 s VAL 29 Ca -0.05 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2qa4 s VAL 29 Cb -0.06 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 2qa4 s VAL 29 CO -0.05 -0.38 -0.22 -0.54 -0.31 0.00 0.00 175.10 173.60 2qa4 s LYS 30 N -2.56 3.10 -0.00 4.82 -0.14 -0.08 -4.91 119.74 119.97 2qa4 s LYS 30 Ca 0.08 -0.84 -0.02 0.00 -1.36 0.00 0.00 55.97 53.83 2qa4 s LYS 30 Cb -0.06 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2qa4 s LYS 30 CO 0.03 0.20 0.16 0.15 -0.76 0.00 0.00 175.35 175.12 2qa4 s LYS 31 N 0.31 3.33 0.00 1.68 1.02 -1.26 0.18 119.74 125.00 2qa4 s LYS 31 Ca -0.16 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2qa4 s LYS 31 Cb -0.17 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2qa4 s LYS 31 CO 0.08 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 2qa4 n GLY 32 N 0.97 -1.92 0.20 -3.33 0.00 -0.99 -4.43 105.19 95.69 2qa4 n GLY 32 Ca -0.11 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 2qa4 n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qa4 h THR 33 N 0.00 1.30 0.72 2.61 2.02 -1.95 -2.48 112.91 115.13 2qa4 h THR 33 Ca 0.00 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 2qa4 h THR 33 Cb 0.00 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2qa4 h THR 33 CO 0.00 0.44 -0.35 -1.13 0.37 0.00 0.00 175.52 174.85 2qa4 h ASN 34 N 0.22 -0.82 -0.54 4.18 -1.24 -1.92 0.34 115.58 115.80 2qa4 h ASN 34 Ca 0.02 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.16 2qa4 h ASN 34 Cb 0.79 0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.97 2qa4 h ASN 34 CO 0.06 -0.52 0.06 -0.33 -1.29 0.00 0.00 177.43 175.41 2qa4 h GLU 35 N -1.11 0.18 -0.90 6.67 5.08 -1.77 -0.93 114.58 121.80 2qa4 h GLU 35 Ca -0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2qa4 h GLU 35 Cb 0.74 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2qa4 h GLU 35 CO 0.16 0.12 0.58 1.15 -1.00 0.00 0.00 179.01 180.02 2qa4 h THR 36 N 0.18 1.12 -0.36 1.13 2.02 -1.41 -2.28 112.91 113.32 2qa4 h THR 36 Ca 0.27 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 2qa4 h THR 36 Cb 0.41 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2qa4 h THR 36 CO -0.40 0.20 0.05 0.74 0.37 0.00 0.00 175.52 176.47 2qa4 h THR 37 N 1.10 1.24 -0.46 3.16 2.02 0.35 -2.94 112.91 117.38 2qa4 h THR 37 Ca 0.37 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.73 2qa4 h THR 37 Cb 0.05 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2qa4 h THR 37 CO -0.13 0.29 0.31 0.11 0.37 0.00 0.00 175.52 176.47 2qa4 h LYS 38 N 0.43 0.42 -0.13 6.66 1.57 -0.71 -2.13 116.57 122.69 2qa4 h LYS 38 Ca 0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2qa4 h LYS 38 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2qa4 h LYS 38 CO 0.01 0.28 0.04 0.77 -0.57 0.00 0.00 179.45 179.98 2qa4 h SER 39 N 0.43 0.18 -0.30 0.86 0.02 -1.26 -0.46 113.55 113.02 2qa4 h SER 39 Ca 0.20 -0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2qa4 h SER 39 Cb 0.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2qa4 h SER 39 CO -0.05 0.32 0.30 0.40 -1.14 0.00 0.00 176.83 176.66 2qa4 h ILE 40 N 0.03 0.50 0.03 3.27 2.04 -1.35 0.52 117.51 122.55 2qa4 h ILE 40 Ca 0.04 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.60 2qa4 h ILE 40 Cb 0.21 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2qa4 h ILE 40 CO -0.00 0.00 -1.68 -0.33 0.00 0.00 0.00 178.15 176.14 2qa4 h GLU 41 N 0.00 0.07 0.00 2.37 5.08 -1.31 -3.32 114.58 117.47 2qa4 h GLU 41 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qa4 h GLU 41 Cb 0.74 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2qa4 h GLU 41 CO -0.00 0.71 -0.25 0.00 -1.00 0.00 0.00 179.01 178.47 2qa4 h ARG 42 N 0.02 0.00 0.00 2.33 3.08 0.50 -3.47 114.38 116.83 2qa4 h ARG 42 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2qa4 h ARG 42 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 2qa4 h ARG 42 CO 0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2qa4 n GLY 43 N 1.24 2.39 0.09 0.04 0.00 0.17 -4.91 105.19 104.21 2qa4 n GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qa4 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qa4 n SER 44 N 0.00 0.06 -4.73 1.61 3.41 -1.19 -4.77 113.62 108.01 2qa4 n SER 44 Ca 0.00 -0.59 -0.28 0.00 -0.26 0.00 0.00 58.87 57.74 2qa4 n SER 44 Cb 0.00 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 2qa4 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qa4 s ALA 45 N -1.81 3.39 -0.00 7.33 0.00 -1.26 -4.21 121.76 125.19 2qa4 s ALA 45 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2qa4 s ALA 45 Cb 0.00 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 2qa4 s ALA 45 CO 0.00 0.58 -0.00 0.39 0.00 0.00 0.00 175.76 176.73 2qa4 n GLU 46 N 0.06 0.05 -3.70 0.00 1.02 0.69 -4.92 120.64 113.83 2qa4 n GLU 46 Ca -0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 2qa4 n GLU 46 Cb 0.54 -1.01 -0.12 0.00 -0.02 0.00 0.00 31.44 30.83 2qa4 n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qa4 s LEU 47 N -5.01 0.08 0.07 -4.62 2.96 -1.19 -3.88 118.68 107.09 2qa4 s LEU 47 Ca -0.01 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2qa4 s LEU 47 Cb 0.00 0.94 -0.04 0.00 0.50 0.00 0.00 46.19 47.59 2qa4 s LEU 47 CO 0.01 -0.19 -0.01 0.68 -1.32 0.00 0.00 176.35 175.52 2qa4 s VAL 48 N 1.58 3.98 -0.09 1.68 -7.23 -0.86 -0.39 120.40 119.06 2qa4 s VAL 48 Ca -0.07 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2qa4 s VAL 48 Cb -0.10 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 2qa4 s VAL 48 CO -0.10 0.19 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.36 2qa4 s PHE 49 N -1.24 2.71 -0.09 2.82 0.40 -0.55 -1.28 117.98 120.76 2qa4 s PHE 49 Ca 0.24 -0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2qa4 s PHE 49 Cb -0.12 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.71 2qa4 s PHE 49 CO 0.16 -0.11 0.00 0.08 0.70 0.00 0.00 175.22 176.05 2qa4 s VAL 50 N -0.04 0.43 0.56 -0.44 1.01 -0.49 -2.33 120.40 119.09 2qa4 s VAL 50 Ca -0.04 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2qa4 s VAL 50 Cb -0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2qa4 s VAL 50 CO 0.04 0.22 1.15 0.00 0.00 0.00 0.00 175.10 176.50 2qa4 s ALA 51 N 1.95 2.66 -0.14 5.51 0.00 -0.20 -0.28 121.76 131.25 2qa4 s ALA 51 Ca 0.04 0.86 0.20 0.00 0.00 0.00 0.00 51.96 53.06 2qa4 s ALA 51 Cb -0.13 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 2qa4 s ALA 51 CO -0.06 -0.86 0.72 0.39 0.00 0.00 0.00 175.76 175.96 2qa4 n GLU 52 N -1.38 0.63 -1.82 0.00 1.02 0.20 -4.44 120.64 114.87 2qa4 n GLU 52 Ca 0.12 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.97 2qa4 n GLU 52 Cb 0.51 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 2qa4 n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qa4 n ASP 53 N -2.63 7.14 -4.53 1.62 5.75 -1.16 -4.45 116.55 118.28 2qa4 n ASP 53 Ca -0.07 -3.37 -0.35 0.00 -0.01 0.00 0.00 54.79 50.99 2qa4 n ASP 53 Cb 0.70 -1.22 -0.11 0.00 -1.03 0.00 0.00 41.12 39.46 2qa4 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qa4 s VAL 54 N -2.79 4.31 -0.04 2.12 1.01 -1.26 -4.86 120.40 118.89 2qa4 s VAL 54 Ca 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2qa4 s VAL 54 Cb 0.33 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2qa4 s VAL 54 CO -0.22 0.44 0.06 -1.58 0.00 0.00 0.00 175.10 173.80 2qa4 s GLN 55 N 0.70 -0.05 0.28 2.72 -0.44 -1.26 -3.31 119.66 118.30 2qa4 s GLN 55 Ca 0.01 0.33 -0.29 0.00 -2.50 0.00 0.00 55.36 52.91 2qa4 s GLN 55 Cb -0.14 -0.38 -0.09 0.00 -1.64 0.00 0.00 33.01 30.76 2qa4 s GLN 55 CO 0.02 -0.26 1.02 -2.14 0.50 0.00 0.00 175.29 174.43 2qa4 s PRO 56 N 1.74 4.67 0.33 1.67 0.02 -1.26 -5.09 135.00 137.08 2qa4 s PRO 56 Ca -0.01 1.61 0.09 0.00 0.02 0.00 0.00 61.00 62.71 2qa4 s PRO 56 Cb -0.12 -3.12 0.83 0.00 0.02 0.00 0.00 34.50 32.11 2qa4 s PRO 56 CO -0.03 0.30 1.79 0.93 -0.33 0.00 0.00 177.00 179.65 2qa4 h GLU 57 N 3.74 0.65 -1.28 5.54 5.08 -2.00 -2.87 114.58 123.44 2qa4 h GLU 57 Ca -0.46 -0.04 0.46 0.00 -1.00 0.00 0.00 59.36 58.32 2qa4 h GLU 57 Cb 1.21 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.16 2qa4 h GLU 57 CO 0.67 0.43 0.80 0.39 -1.00 0.00 0.00 179.01 180.29 2qa4 n GLU 58 N -4.71 -0.04 0.22 2.33 4.71 -1.26 0.36 120.64 122.24 2qa4 n GLU 58 Ca 0.23 1.29 0.12 0.00 -0.01 0.00 0.00 57.16 58.80 2qa4 n GLU 58 Cb 0.62 -2.49 0.66 0.00 -1.01 0.00 0.00 31.44 29.22 2qa4 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2qa4 h ILE 59 N 0.00 0.00 0.00 -3.67 2.04 -1.91 -3.22 117.51 110.75 2qa4 h ILE 59 Ca 0.88 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.74 2qa4 h ILE 59 Cb 2.69 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2qa4 h ILE 59 CO -0.55 0.00 -0.62 0.52 0.00 0.00 0.00 178.15 177.50 2qa4 n VAL 60 N -2.42 0.00 -0.41 1.67 0.31 0.16 -4.85 118.33 112.79 2qa4 n VAL 60 Ca -0.02 0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.67 2qa4 n VAL 60 Cb 0.18 -0.62 0.55 0.00 -0.91 0.00 0.00 33.84 33.04 2qa4 n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2qa4 n MET 61 N -1.43 0.01 0.16 5.55 2.81 -0.96 -0.09 117.12 123.17 2qa4 n MET 61 Ca 0.00 0.89 0.05 0.00 -1.81 0.00 0.00 57.70 56.83 2qa4 n MET 61 Cb 0.31 -2.14 0.10 0.00 -0.71 0.00 0.00 33.22 30.78 2qa4 n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2qa4 h HIS 62 N 0.00 0.00 0.23 2.03 2.07 -1.89 -3.39 115.15 114.21 2qa4 h HIS 62 Ca 0.62 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 58.15 2qa4 h HIS 62 Cb 2.89 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 32.83 2qa4 h HIS 62 CO 0.00 0.40 -0.36 0.82 -3.07 0.00 0.00 177.93 175.72 2qa4 h ILE 63 N 0.00 0.25 -0.16 6.12 1.08 -0.86 -1.95 117.51 121.99 2qa4 h ILE 63 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2qa4 h ILE 63 Cb 1.26 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 2qa4 h ILE 63 CO 0.05 0.00 -0.40 -0.65 -0.69 0.00 0.00 178.15 176.47 2qa4 h PRO 64 N -0.67 -0.36 -0.61 2.37 0.11 -1.78 0.27 132.00 131.34 2qa4 h PRO 64 Ca 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2qa4 h PRO 64 Cb 0.65 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 2qa4 h PRO 64 CO -0.14 -0.24 0.23 1.49 -0.21 0.00 0.00 178.00 179.13 2qa4 h GLU 65 N -0.38 0.89 -0.50 1.05 4.81 -1.81 -2.17 114.58 116.47 2qa4 h GLU 65 Ca 0.03 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 2qa4 h GLU 65 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2qa4 h GLU 65 CO -0.35 0.74 -0.03 1.25 -0.73 0.00 0.00 179.01 179.89 2qa4 h LEU 66 N 0.88 0.83 -0.27 1.64 5.85 -1.00 -2.94 115.31 120.29 2qa4 h LEU 66 Ca 0.21 -0.22 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 2qa4 h LEU 66 Cb 0.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2qa4 h LEU 66 CO -0.02 0.91 -0.88 0.00 -0.34 0.00 0.00 178.44 178.12 2qa4 h ALA 67 N 1.17 0.54 -0.13 1.25 0.00 -0.76 -3.32 119.26 118.02 2qa4 h ALA 67 Ca 0.15 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 2qa4 h ALA 67 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qa4 h ALA 67 CO 0.03 0.98 -0.41 -0.44 0.00 0.00 0.00 179.25 179.41 2qa4 h ASP 68 N 0.06 0.30 -0.22 0.00 3.32 -1.26 -2.32 116.42 116.29 2qa4 h ASP 68 Ca -0.03 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2qa4 h ASP 68 Cb 1.52 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2qa4 h ASP 68 CO 0.13 0.68 0.00 -1.84 -1.72 0.00 0.00 179.24 176.48 2qa4 n GLU 69 N -4.03 1.59 0.00 3.56 0.28 -1.12 -3.11 120.64 117.81 2qa4 n GLU 69 Ca -0.01 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 56.08 2qa4 n GLU 69 Cb 0.48 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.09 2qa4 n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2qa4 n LYS 70 N 0.20 1.56 0.00 3.44 4.76 -1.04 -5.02 118.16 122.05 2qa4 n LYS 70 Ca 0.11 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 2qa4 n LYS 70 Cb 0.24 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2qa4 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qa4 n GLY 71 N -0.28 0.93 3.54 0.72 0.00 -0.90 -4.95 105.19 104.25 2qa4 n GLY 71 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 2qa4 n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qa4 n VAL 72 N 0.00 0.08 -1.83 1.61 0.31 -1.11 -4.88 118.33 112.52 2qa4 n VAL 72 Ca 0.00 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.94 2qa4 n VAL 72 Cb 0.00 -0.77 0.05 0.00 -0.91 0.00 0.00 33.84 32.21 2qa4 n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2qa4 s PRO 73 N 4.47 2.72 0.28 5.55 0.02 -1.25 -4.49 135.00 142.29 2qa4 s PRO 73 Ca 1.09 1.77 0.03 0.00 0.02 0.00 0.00 61.00 63.91 2qa4 s PRO 73 Cb -1.34 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2qa4 s PRO 73 CO 0.70 -1.39 0.18 -0.59 -0.33 0.00 0.00 177.00 175.58 2qa4 s PHE 74 N -1.77 1.50 -0.08 6.54 -0.12 -1.26 -2.03 117.98 120.76 2qa4 s PHE 74 Ca 0.76 -1.46 -0.23 0.00 -0.05 0.00 0.00 56.93 55.94 2qa4 s PHE 74 Cb -0.29 -0.72 0.05 0.00 -0.63 0.00 0.00 43.02 41.43 2qa4 s PHE 74 CO 0.37 -0.66 0.54 -1.50 -0.05 0.00 0.00 175.22 173.92 2qa4 s ILE 75 N -3.74 0.02 -0.18 -4.49 2.07 -0.41 -4.89 121.20 109.57 2qa4 s ILE 75 Ca 0.38 -0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 59.36 2qa4 s ILE 75 Cb 0.05 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 2qa4 s ILE 75 CO 0.19 -0.08 0.22 -0.36 -1.91 0.00 0.00 174.94 173.00 2qa4 s PHE 76 N -0.85 3.43 0.01 3.50 2.99 -1.26 -1.39 117.98 124.40 2qa4 s PHE 76 Ca -0.09 0.46 0.05 0.00 0.00 0.00 0.00 56.93 57.34 2qa4 s PHE 76 Cb -0.03 -2.27 -0.03 0.00 0.00 0.00 0.00 43.02 40.70 2qa4 s PHE 76 CO 0.06 0.24 -0.13 0.08 -0.00 0.00 0.00 175.22 175.47 2qa4 s VAL 77 N 0.49 3.17 0.00 -0.44 1.01 0.61 -4.81 120.40 120.44 2qa4 s VAL 77 Ca 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2qa4 s VAL 77 Cb -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2qa4 s VAL 77 CO 0.01 0.42 0.37 -0.62 0.00 0.00 0.00 175.10 175.28 2qa4 n GLU 78 N 1.73 0.00 -1.00 2.72 -0.58 -1.26 0.61 120.64 122.85 2qa4 n GLU 78 Ca -0.16 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.53 2qa4 n GLU 78 Cb 0.52 -1.00 0.13 0.00 -0.57 0.00 0.00 31.44 30.53 2qa4 n GLU 78 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qa4 s GLN 79 N -1.25 1.55 -0.25 3.49 -1.52 -1.26 -2.64 119.66 117.79 2qa4 s GLN 79 Ca 0.00 1.28 -0.16 0.00 -1.95 0.00 0.00 55.36 54.54 2qa4 s GLN 79 Cb 0.00 -1.81 -0.11 0.00 -0.22 0.00 0.00 33.01 30.87 2qa4 s GLN 79 CO 0.00 -2.17 -0.27 0.94 -0.25 0.00 0.00 175.29 173.53 2qa4 n GLN 80 N -3.89 0.57 0.09 2.91 7.27 -1.26 -4.17 117.38 118.90 2qa4 n GLN 80 Ca 0.10 0.30 0.10 0.00 0.07 0.00 0.00 57.00 57.57 2qa4 n GLN 80 Cb 0.53 -1.52 0.42 0.00 2.41 0.00 0.00 30.24 32.08 2qa4 n GLN 80 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2qa4 n ASP 81 N -4.33 0.44 0.12 1.69 8.00 -1.26 -0.26 116.55 120.94 2qa4 n ASP 81 Ca -0.42 0.63 -0.20 0.00 0.71 0.00 0.00 54.79 55.51 2qa4 n ASP 81 Cb 0.77 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 2qa4 n ASP 81 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2qa4 h ASP 82 N 0.00 0.63 -0.02 -2.24 3.32 -1.90 0.26 116.42 116.46 2qa4 h ASP 82 Ca 0.00 -0.66 -0.20 0.00 0.02 0.00 0.00 57.03 56.19 2qa4 h ASP 82 Cb 0.26 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2qa4 h ASP 82 CO 0.00 1.51 -0.76 0.25 -1.72 0.00 0.00 179.24 178.52 2qa4 h LEU 83 N 0.12 0.71 0.09 1.55 5.85 -1.48 0.55 115.31 122.70 2qa4 h LEU 83 Ca -0.18 -0.73 -0.00 0.00 0.84 0.00 0.00 57.88 57.81 2qa4 h LEU 83 Cb 2.03 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2qa4 h LEU 83 CO 0.23 1.34 -0.07 1.23 -0.34 0.00 0.00 178.44 180.84 2qa4 h GLY 84 N 0.15 -0.16 0.88 3.75 0.00 -0.67 -1.36 103.07 105.66 2qa4 h GLY 84 Ca -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2qa4 h GLY 84 CO 0.15 -0.07 0.07 0.84 0.00 0.00 0.00 176.54 177.53 2qa4 h HIS 85 N -0.16 0.44 -0.66 5.60 -0.00 -0.49 -2.19 115.15 117.68 2qa4 h HIS 85 Ca -0.00 -0.05 0.13 0.00 -0.00 0.00 0.00 60.37 60.45 2qa4 h HIS 85 Cb 0.15 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 2qa4 h HIS 85 CO -0.09 0.49 0.45 0.00 -0.00 0.00 0.00 177.93 178.77 2qa4 h ALA 86 N 0.90 2.12 0.00 5.26 0.00 -0.69 0.23 119.26 127.08 2qa4 h ALA 86 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qa4 h ALA 86 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qa4 h ALA 86 CO -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.96 2qa4 n ALA 87 N -2.54 2.48 -2.17 0.00 0.00 -0.53 -4.12 120.51 113.64 2qa4 n ALA 87 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 2qa4 n ALA 87 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2qa4 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 88 N 0.26 0.23 3.48 0.00 0.00 0.79 -5.00 105.19 104.94 2qa4 n GLY 88 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2qa4 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa4 s LEU 89 N -1.51 2.64 0.09 0.99 1.43 -0.84 -5.03 118.68 116.45 2qa4 s LEU 89 Ca 0.02 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2qa4 s LEU 89 Cb -0.01 -1.45 -0.22 0.00 0.03 0.00 0.00 46.19 44.54 2qa4 s LEU 89 CO 0.02 0.16 1.16 -0.08 0.23 0.00 0.00 176.35 177.84 2qa4 h GLU 90 N 3.55 0.02 0.00 1.70 4.81 -1.89 -3.21 114.58 119.55 2qa4 h GLU 90 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2qa4 h GLU 90 Cb 1.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2qa4 h GLU 90 CO 0.46 0.93 0.00 0.28 -0.73 0.00 0.00 179.01 179.95 2qa4 n VAL 91 N -3.31 0.00 -4.29 0.32 0.31 -1.26 -4.86 118.33 105.24 2qa4 n VAL 91 Ca -0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 2qa4 n VAL 91 Cb 0.96 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.82 2qa4 n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qa4 n GLY 92 N 5.00 3.05 3.47 2.92 0.00 -1.26 -3.85 105.19 114.51 2qa4 n GLY 92 Ca 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 2qa4 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qa4 s SER 93 N -3.16 -0.74 0.20 1.61 0.15 -1.08 -4.60 113.70 106.09 2qa4 s SER 93 Ca 0.34 1.23 -0.08 0.00 0.70 0.00 0.00 55.95 58.13 2qa4 s SER 93 Cb 0.02 1.11 0.14 0.00 -1.71 0.00 0.00 66.02 65.57 2qa4 s SER 93 CO 0.24 -0.22 1.76 0.00 1.20 0.00 0.00 173.24 176.23 2qa4 h ALA 94 N 6.98 0.98 -2.10 5.45 0.00 -1.94 -3.39 119.26 125.25 2qa4 h ALA 94 Ca -0.33 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2qa4 h ALA 94 Cb 1.21 -0.29 -0.20 0.00 0.00 0.00 0.00 17.79 18.50 2qa4 h ALA 94 CO 0.22 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.19 2qa4 s ALA 95 N -5.52 -1.64 0.29 0.00 0.00 -1.26 -1.03 121.76 112.60 2qa4 s ALA 95 Ca -0.12 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.45 2qa4 s ALA 95 Cb 0.15 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 2qa4 s ALA 95 CO 0.83 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 176.27 2qa4 s ALA 96 N -0.35 2.25 0.07 0.00 0.00 -0.99 -2.34 121.76 120.40 2qa4 s ALA 96 Ca -0.05 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.00 2qa4 s ALA 96 Cb -0.03 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2qa4 s ALA 96 CO 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 175.76 175.48 2qa4 s ALA 97 N -3.22 0.99 -0.82 0.00 0.00 0.13 -1.48 121.76 117.36 2qa4 s ALA 97 Ca 0.32 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 2qa4 s ALA 97 Cb 0.06 -0.03 0.21 0.00 0.00 0.00 0.00 23.12 23.36 2qa4 s ALA 97 CO 0.13 0.08 0.71 0.08 0.00 0.00 0.00 175.76 176.76 2qa4 s VAL 98 N -1.52 4.80 -0.92 0.00 1.01 0.47 -0.91 120.40 123.34 2qa4 s VAL 98 Ca -0.03 -3.06 -0.17 0.00 0.00 0.00 0.00 61.98 58.72 2qa4 s VAL 98 Cb -0.09 -3.99 0.17 0.00 0.00 0.00 0.00 36.38 32.46 2qa4 s VAL 98 CO 0.01 -1.02 1.03 0.28 0.00 0.00 0.00 175.10 175.41 2qa4 s THR 99 N -0.43 5.06 -0.20 3.92 -1.32 -0.35 -0.22 115.64 122.09 2qa4 s THR 99 Ca 0.21 -1.97 -0.01 0.00 -1.21 0.00 0.00 61.69 58.71 2qa4 s THR 99 Cb -0.13 -4.69 0.00 0.00 -1.51 0.00 0.00 72.50 66.18 2qa4 s THR 99 CO -0.08 -1.36 0.02 0.47 -2.21 0.00 0.00 174.62 171.46 2qa4 n ASP 100 N 5.58 -5.52 -3.63 8.08 9.92 -1.26 -3.29 116.55 126.43 2qa4 n ASP 100 Ca 0.22 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 2qa4 n ASP 100 Cb 0.48 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.08 2qa4 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qa4 n ALA 101 N 0.53 0.00 -3.59 2.24 0.00 -1.26 -0.70 120.51 117.73 2qa4 n ALA 101 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2qa4 n ALA 101 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 2qa4 n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qa4 s GLY 102 N -1.26 -0.29 -1.90 0.00 0.00 -1.26 -3.68 107.32 98.94 2qa4 s GLY 102 Ca 0.00 2.85 0.00 0.00 0.00 0.00 0.00 44.72 47.57 2qa4 s GLY 102 CO 0.00 2.77 0.00 1.18 0.00 0.00 0.00 173.10 177.05 2qa4 n GLU 103 N 4.37 -1.25 -0.78 2.90 1.02 -1.26 -4.22 120.64 121.43 2qa4 n GLU 103 Ca -0.16 1.13 -0.04 0.00 -0.02 0.00 0.00 57.16 58.07 2qa4 n GLU 103 Cb 0.56 -5.39 -0.04 0.00 -0.02 0.00 0.00 31.44 26.54 2qa4 n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qa4 n ALA 104 N 1.26 2.79 0.31 0.62 0.00 -1.26 -4.92 120.51 119.31 2qa4 n ALA 104 Ca -0.18 -0.41 0.11 0.00 0.00 0.00 0.00 53.44 52.96 2qa4 n ALA 104 Cb 0.59 -0.21 0.48 0.00 0.00 0.00 0.00 19.45 20.31 2qa4 n ALA 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qa4 n ASP 105 N 0.00 0.55 -0.07 0.00 8.00 -1.26 -0.43 116.55 123.34 2qa4 n ASP 105 Ca -0.16 0.67 -0.09 0.00 0.71 0.00 0.00 54.79 55.92 2qa4 n ASP 105 Cb 0.59 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 2qa4 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qa4 h ALA 106 N 2.19 0.07 -0.34 2.24 0.00 -1.99 -3.14 119.26 118.28 2qa4 h ALA 106 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.40 2qa4 h ALA 106 Cb 0.23 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2qa4 h ALA 106 CO 0.00 0.40 -0.08 -0.44 0.00 0.00 0.00 179.25 179.12 2qa4 h ASP 107 N -1.00 -0.31 -0.15 0.00 3.32 -1.85 -0.73 116.42 115.70 2qa4 h ASP 107 Ca -0.09 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.11 2qa4 h ASP 107 Cb 0.65 0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 2qa4 h ASP 107 CO -0.05 -0.11 -0.23 0.58 -1.72 0.00 0.00 179.24 177.71 2qa4 h VAL 108 N 0.00 0.43 -0.42 -1.35 2.07 -0.93 0.19 116.25 116.25 2qa4 h VAL 108 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 2qa4 h VAL 108 Cb 0.25 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 2qa4 h VAL 108 CO -0.35 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.20 2qa4 h GLU 109 N -0.28 0.14 -0.68 1.57 4.81 -1.27 0.03 114.58 118.90 2qa4 h GLU 109 Ca 0.11 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2qa4 h GLU 109 Cb 0.44 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2qa4 h GLU 109 CO -0.32 0.09 0.44 -0.44 -0.73 0.00 0.00 179.01 178.06 2qa4 h ASP 110 N 0.15 0.78 -0.07 1.04 3.32 -0.49 -1.86 116.42 119.28 2qa4 h ASP 110 Ca 0.21 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qa4 h ASP 110 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2qa4 h ASP 110 CO -0.32 0.57 0.05 0.40 -1.72 0.00 0.00 179.24 178.22 2qa4 h ILE 111 N 0.92 1.04 -0.01 0.35 2.04 -0.28 0.94 117.51 122.51 2qa4 h ILE 111 Ca 0.25 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2qa4 h ILE 111 Cb -0.10 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2qa4 h ILE 111 CO -0.05 0.04 0.05 0.00 0.00 0.00 0.00 178.15 178.18 2qa4 h ALA 112 N 1.00 1.21 0.08 1.87 0.00 -0.58 -1.64 119.26 121.20 2qa4 h ALA 112 Ca 0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2qa4 h ALA 112 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qa4 h ALA 112 CO -0.01 -0.06 -1.23 -0.44 0.00 0.00 0.00 179.25 177.51 2qa4 h ASP 113 N 0.00 0.27 -0.66 0.00 3.32 -0.45 -3.04 116.42 115.86 2qa4 h ASP 113 Ca 0.01 -0.81 0.15 0.00 0.02 0.00 0.00 57.03 56.40 2qa4 h ASP 113 Cb 0.11 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2qa4 h ASP 113 CO -0.00 1.53 0.45 0.11 -1.72 0.00 0.00 179.24 179.61 2qa4 h LYS 114 N -0.50 0.23 -0.09 3.56 1.57 0.07 0.13 116.57 121.54 2qa4 h LYS 114 Ca -0.28 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.36 2qa4 h LYS 114 Cb 1.60 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.86 2qa4 h LYS 114 CO 0.00 0.15 -0.45 0.28 -0.57 0.00 0.00 179.45 178.87 2qa4 h VAL 115 N 0.24 1.38 -0.60 0.50 2.07 -1.54 -0.68 116.25 117.62 2qa4 h VAL 115 Ca 0.32 -1.80 0.15 0.00 0.82 0.00 0.00 66.70 66.19 2qa4 h VAL 115 Cb 0.92 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 2qa4 h VAL 115 CO -0.07 0.53 0.42 -0.33 0.02 0.00 0.00 177.57 178.14 2qa4 h GLU 116 N 0.04 0.12 0.00 1.57 4.39 -0.67 0.20 114.58 120.23 2qa4 h GLU 116 Ca -0.03 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 2qa4 h GLU 116 Cb 1.10 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2qa4 h GLU 116 CO 0.09 0.08 -1.32 0.93 -1.16 0.00 0.00 179.01 177.63 2qa4 h GLU 117 N 0.12 0.00 0.00 2.33 5.08 -1.17 -3.23 114.58 117.72 2qa4 h GLU 117 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2qa4 h GLU 117 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2qa4 h GLU 117 CO -0.04 0.40 0.00 -0.11 -1.00 0.00 0.00 179.01 178.27 2qa4 n LEU 118 N -3.00 0.00 0.00 1.33 7.94 0.61 -5.10 117.00 118.78 2qa4 n LEU 118 Ca -0.09 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2qa4 n LEU 118 Cb 0.87 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2qa4 n LEU 118 CO 0.43 -0.16 0.00 -1.14 -1.11 0.00 0.00 177.39 175.41