#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 n LYS 2 N 0.00 0.18 -2.82 4.33 2.85 -1.26 -4.77 118.16 116.67 2qa4 n LYS 2 Ca 0.00 0.10 -0.41 0.00 -1.05 0.00 0.00 58.31 56.94 2qa4 n LYS 2 Cb 0.00 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 32.69 2qa4 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2qa4 s GLN 3 N -3.09 4.45 0.39 -1.58 -0.21 -1.26 -4.99 119.66 113.38 2qa4 s GLN 3 Ca 0.10 1.20 0.16 0.00 0.02 0.00 0.00 55.36 56.85 2qa4 s GLN 3 Cb 0.15 -3.49 1.04 0.00 1.00 0.00 0.00 33.01 31.70 2qa4 s GLN 3 CO 0.64 -0.13 1.80 -1.35 -2.12 0.00 0.00 175.29 174.14 2qa4 h PRO 4 N 6.95 0.44 0.49 2.91 0.11 -1.99 -2.42 132.00 138.50 2qa4 h PRO 4 Ca -0.37 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2qa4 h PRO 4 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qa4 h PRO 4 CO 0.79 0.29 -0.37 0.22 -0.21 0.00 0.00 178.00 178.72 2qa4 h ASP 5 N 0.46 -0.97 -0.04 -2.05 3.58 -1.99 -1.27 116.42 114.14 2qa4 h ASP 5 Ca 0.55 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 58.01 2qa4 h ASP 5 Cb 1.29 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 2qa4 h ASP 5 CO -0.26 -0.53 -0.11 0.11 -2.88 0.00 0.00 179.24 175.57 2qa4 h LYS 6 N -0.83 0.32 -0.19 0.28 1.57 -1.89 -1.27 116.57 114.56 2qa4 h LYS 6 Ca -0.06 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2qa4 h LYS 6 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2qa4 h LYS 6 CO 0.02 0.44 -0.02 1.96 -0.57 0.00 0.00 179.45 181.28 2qa4 h GLN 7 N 0.30 0.35 -0.21 3.15 1.08 -1.34 -0.09 115.11 118.35 2qa4 h GLN 7 Ca 0.06 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.00 2qa4 h GLN 7 Cb 0.38 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2qa4 h GLN 7 CO 0.02 0.58 -0.41 0.00 -0.95 0.00 0.00 178.83 178.06 2qa4 h ARG 8 N 0.09 0.65 -0.16 1.46 3.08 -1.12 -3.17 114.38 115.21 2qa4 h ARG 8 Ca 0.05 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.73 2qa4 h ARG 8 Cb 0.43 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 2qa4 h ARG 8 CO 0.01 1.04 -0.35 -0.22 -1.07 0.00 0.00 179.97 179.38 2qa4 h LYS 9 N 0.34 -0.39 -0.86 0.04 3.64 -1.17 -2.26 116.57 115.92 2qa4 h LYS 9 Ca 0.01 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 2qa4 h LYS 9 Cb 1.01 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 2qa4 h LYS 9 CO 0.09 -0.26 0.56 0.66 -2.27 0.00 0.00 179.45 178.23 2qa4 h SER 10 N -0.41 0.85 -0.39 4.20 4.64 -1.08 -0.36 113.55 121.01 2qa4 h SER 10 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2qa4 h SER 10 Cb 0.57 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2qa4 h SER 10 CO -0.38 0.55 0.04 1.56 -0.87 0.00 0.00 176.83 177.73 2qa4 h GLN 11 N 0.97 0.65 -0.11 4.77 4.20 -1.39 -1.70 115.11 122.51 2qa4 h GLN 11 Ca 0.37 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 2qa4 h GLN 11 Cb 0.19 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2qa4 h GLN 11 CO -0.13 0.72 -0.59 0.00 -0.67 0.00 0.00 178.83 178.16 2qa4 h ARG 12 N 0.49 0.36 -0.94 1.46 3.08 -1.14 -3.25 114.38 114.44 2qa4 h ARG 12 Ca 0.11 -0.24 -0.64 0.00 0.07 0.00 0.00 59.98 59.28 2qa4 h ARG 12 Cb 0.40 0.03 -0.33 0.00 0.08 0.00 0.00 29.97 30.15 2qa4 h ARG 12 CO 0.01 0.85 0.35 0.54 -1.07 0.00 0.00 179.97 180.65 2qa4 n ARG 13 N -3.90 2.98 -3.45 0.04 1.74 -0.17 -5.00 116.66 108.90 2qa4 n ARG 13 Ca -0.03 -3.57 -0.38 0.00 -0.77 0.00 0.00 57.85 53.10 2qa4 n ARG 13 Cb 0.62 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 2qa4 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qa4 s ALA 14 N -3.76 3.62 0.90 7.54 0.00 -0.65 -4.89 121.76 124.51 2qa4 s ALA 14 Ca 0.60 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 2qa4 s ALA 14 Cb 0.48 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2qa4 s ALA 14 CO -0.00 0.30 0.12 -2.30 0.00 0.00 0.00 175.76 173.88 2qa4 n PRO 15 N 2.52 -0.09 -0.14 0.00 -0.02 -1.26 -4.66 135.00 131.36 2qa4 n PRO 15 Ca -0.12 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.31 2qa4 n PRO 15 Cb 0.52 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.39 2qa4 n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qa4 h LEU 16 N -1.12 -0.88 -1.04 2.45 3.38 -1.97 -2.17 115.31 113.97 2qa4 h LEU 16 Ca -0.44 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2qa4 h LEU 16 Cb 1.31 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 2qa4 h LEU 16 CO 0.34 -0.27 0.07 1.12 0.09 0.00 0.00 178.44 179.78 2qa4 h HIS 17 N -0.17 0.79 0.00 1.13 2.07 -2.00 -2.08 115.15 114.89 2qa4 h HIS 17 Ca 0.21 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 2qa4 h HIS 17 Cb 0.49 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2qa4 h HIS 17 CO -0.51 0.70 0.00 0.39 -3.07 0.00 0.00 177.93 175.44 2qa4 n GLU 18 N -4.26 0.82 0.04 5.12 1.02 -0.85 -2.57 120.64 119.97 2qa4 n GLU 18 Ca 0.03 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 2qa4 n GLU 18 Cb 0.25 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.25 2qa4 n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qa4 n ARG 19 N -0.97 0.30 -0.35 3.49 1.74 -0.78 -3.99 116.66 116.11 2qa4 n ARG 19 Ca 0.19 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 2qa4 n ARG 19 Cb 0.09 -1.62 0.31 0.00 -1.02 0.00 0.00 32.46 30.22 2qa4 n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qa4 h HIS 20 N 0.00 1.06 0.00 -1.55 3.86 -1.58 0.25 115.15 117.20 2qa4 h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qa4 h HIS 20 Cb 0.74 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2qa4 h HIS 20 CO 0.00 0.30 0.00 0.36 0.86 0.00 0.00 177.93 179.45 2qa4 n LYS 21 N -4.70 0.20 0.00 2.45 2.85 -1.26 -1.92 118.16 115.79 2qa4 n LYS 21 Ca 0.22 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.74 2qa4 n LYS 21 Cb 0.51 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.49 2qa4 n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2qa4 n GLN 22 N -1.27 0.13 -0.92 -1.58 6.02 0.88 -3.84 117.38 116.80 2qa4 n GLN 22 Ca 0.06 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 2qa4 n GLN 22 Cb 0.10 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.11 2qa4 n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2qa4 n VAL 23 N -1.35 2.80 -2.86 5.09 0.24 -0.81 -4.79 118.33 116.65 2qa4 n VAL 23 Ca 0.06 -2.06 -0.36 0.00 -2.04 0.00 0.00 64.34 59.94 2qa4 n VAL 23 Cb 0.34 -0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 32.29 2qa4 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2qa4 s ARG 24 N -3.12 4.42 0.03 7.34 0.52 -1.25 -2.62 118.95 124.27 2qa4 s ARG 24 Ca 0.51 1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 56.86 2qa4 s ARG 24 Cb 0.43 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 2qa4 s ARG 24 CO 0.08 0.22 0.03 0.00 0.02 0.00 0.00 175.30 175.66 2qa4 s ALA 25 N -1.75 0.06 0.31 2.13 0.00 0.14 -4.08 121.76 118.57 2qa4 s ALA 25 Ca 0.52 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 2qa4 s ALA 25 Cb -0.16 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 2qa4 s ALA 25 CO 0.21 -0.26 1.21 -0.08 0.00 0.00 0.00 175.76 176.84 2qa4 s THR 26 N -2.26 3.08 0.72 0.00 -1.32 -1.24 -1.09 115.64 113.54 2qa4 s THR 26 Ca -0.08 1.08 -0.04 0.00 -1.21 0.00 0.00 61.69 61.43 2qa4 s THR 26 Cb -0.04 -3.68 0.10 0.00 -1.51 0.00 0.00 72.50 67.37 2qa4 s THR 26 CO -0.03 0.25 1.01 -0.76 -2.21 0.00 0.00 174.62 172.87 2qa4 s LEU 27 N -1.68 2.95 0.71 9.08 1.43 -0.68 -1.24 118.68 129.25 2qa4 s LEU 27 Ca 0.47 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 2qa4 s LEU 27 Cb -0.36 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2qa4 s LEU 27 CO 0.47 -1.78 1.08 -0.94 0.23 0.00 0.00 176.35 175.41 2qa4 s SER 28 N -4.64 5.35 0.27 2.29 1.04 -0.92 -4.74 113.70 112.35 2qa4 s SER 28 Ca 0.64 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.40 2qa4 s SER 28 Cb -0.08 -2.18 0.54 0.00 0.10 0.00 0.00 66.02 64.41 2qa4 s SER 28 CO 0.45 -1.43 1.80 0.00 0.98 0.00 0.00 173.24 175.04 2qa4 h ALA 29 N -0.71 1.41 -0.29 5.32 0.00 -1.98 -2.50 119.26 120.50 2qa4 h ALA 29 Ca -0.45 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2qa4 h ALA 29 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qa4 h ALA 29 CO 0.61 0.08 -0.48 -0.44 0.00 0.00 0.00 179.25 179.01 2qa4 h ASP 30 N 0.82 0.86 0.13 0.00 3.32 -1.99 -3.10 116.42 116.46 2qa4 h ASP 30 Ca 0.48 -0.43 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2qa4 h ASP 30 Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2qa4 h ASP 30 CO -0.30 1.20 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.91 2qa4 h LEU 31 N 0.62 0.41 -1.44 1.55 3.38 -1.83 0.11 115.31 118.10 2qa4 h LEU 31 Ca 0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2qa4 h LEU 31 Cb 1.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2qa4 h LEU 31 CO 0.10 0.79 -0.26 0.03 0.09 0.00 0.00 178.44 179.19 2qa4 h ARG 32 N 0.31 0.00 0.02 1.13 3.08 -1.47 -0.47 114.38 116.99 2qa4 h ARG 32 Ca 0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 2qa4 h ARG 32 Cb 0.89 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.96 2qa4 h ARG 32 CO 0.07 0.26 -0.95 1.49 -1.07 0.00 0.00 179.97 179.78 2qa4 h GLU 33 N 0.00 0.61 0.00 0.04 4.57 -1.34 -2.43 114.58 116.03 2qa4 h GLU 33 Ca -0.00 -0.68 -0.11 0.00 -1.18 0.00 0.00 59.36 57.39 2qa4 h GLU 33 Cb 0.57 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2qa4 h GLU 33 CO 0.03 1.28 -0.50 1.49 -1.18 0.00 0.00 179.01 180.13 2qa4 h GLU 34 N 0.22 0.00 0.00 1.92 4.81 -0.26 -3.37 114.58 117.91 2qa4 h GLU 34 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2qa4 h GLU 34 Cb 1.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2qa4 h GLU 34 CO 0.19 0.50 0.00 0.66 -0.73 0.00 0.00 179.01 179.63 2qa4 n TYR 35 N -3.41 0.00 -3.47 0.92 4.02 -0.25 -5.02 117.16 109.94 2qa4 n TYR 35 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.69 2qa4 n TYR 35 Cb 0.65 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.04 2qa4 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qa4 n GLY 36 N 0.16 -0.40 3.20 2.72 0.00 -0.92 -4.76 105.19 105.20 2qa4 n GLY 36 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2qa4 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qa4 s GLN 37 N -6.05 1.14 -0.13 1.61 -0.21 -1.24 -5.04 119.66 109.74 2qa4 s GLN 37 Ca 0.45 -1.58 0.01 0.00 0.02 0.00 0.00 55.36 54.27 2qa4 s GLN 37 Cb -0.20 0.14 -0.09 0.00 1.00 0.00 0.00 33.01 33.86 2qa4 s GLN 37 CO 0.67 -0.31 -0.11 -2.13 -2.12 0.00 0.00 175.29 171.29 2qa4 n ARG 38 N -0.24 0.44 -2.03 2.91 0.63 -1.26 -4.38 116.66 112.72 2qa4 n ARG 38 Ca -0.01 0.07 -0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2qa4 n ARG 38 Cb 0.65 -1.26 -0.00 0.00 0.45 0.00 0.00 32.46 32.30 2qa4 n ARG 38 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2qa4 n ASN 39 N -2.85 1.25 -3.58 6.15 2.04 -1.26 -1.69 115.26 115.32 2qa4 n ASN 39 Ca -0.23 -1.03 -0.08 0.00 -0.44 0.00 0.00 54.58 52.81 2qa4 n ASN 39 Cb 0.75 0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.97 2qa4 n ASN 39 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2qa4 s VAL 40 N -1.40 0.00 -0.53 3.53 0.11 -0.25 -4.84 120.40 117.02 2qa4 s VAL 40 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2qa4 s VAL 40 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2qa4 s VAL 40 CO 0.00 0.00 1.34 -0.60 -3.33 0.00 0.00 175.10 172.51 2qa4 s ARG 41 N -1.48 3.43 0.05 1.54 3.52 -1.19 -0.69 118.95 124.14 2qa4 s ARG 41 Ca 0.03 0.49 -0.35 0.00 -0.13 0.00 0.00 55.73 55.77 2qa4 s ARG 41 Cb -0.01 -4.06 -0.14 0.00 -1.56 0.00 0.00 34.95 29.18 2qa4 s ARG 41 CO -0.02 -1.77 1.64 0.28 -0.81 0.00 0.00 175.30 174.61 2qa4 n VAL 42 N 6.85 0.18 -4.20 7.11 0.31 -1.08 -4.98 118.33 122.52 2qa4 n VAL 42 Ca 0.12 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 2qa4 n VAL 42 Cb 0.49 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.85 2qa4 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2qa4 s ASN 43 N 1.87 4.95 0.63 4.52 0.02 -1.26 -4.98 114.94 120.70 2qa4 s ASN 43 Ca 0.85 -0.41 0.28 0.00 -1.02 0.00 0.00 52.86 52.55 2qa4 s ASN 43 Cb -0.75 -1.10 1.46 0.00 0.02 0.00 0.00 41.25 40.89 2qa4 s ASN 43 CO 0.45 0.03 1.85 0.00 0.02 0.00 0.00 177.10 179.45 2qa4 h ALA 44 N 2.14 1.76 0.20 0.60 0.00 -1.91 -2.07 119.26 119.98 2qa4 h ALA 44 Ca -0.47 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 2qa4 h ALA 44 Cb 1.23 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.05 2qa4 h ALA 44 CO 0.60 -0.56 -1.64 0.78 0.00 0.00 0.00 179.25 178.43 2qa4 h GLY 45 N 0.00 0.49 -3.12 0.00 0.00 -1.91 -3.39 103.07 95.13 2qa4 h GLY 45 Ca 0.10 -1.24 -0.54 0.00 0.00 0.00 0.00 47.33 45.64 2qa4 h GLY 45 CO -0.00 1.09 -1.67 1.22 0.00 0.00 0.00 176.54 177.18 2qa4 n ASP 46 N -3.67 -5.40 -4.56 0.19 8.00 -0.78 -4.53 116.55 105.80 2qa4 n ASP 46 Ca -0.23 0.27 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 2qa4 n ASP 46 Cb 1.07 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 2qa4 n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qa4 s THR 47 N -1.94 3.50 0.06 -3.53 2.01 -0.07 -1.06 115.64 114.60 2qa4 s THR 47 Ca 0.42 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 2qa4 s THR 47 Cb -0.24 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.82 2qa4 s THR 47 CO 0.77 0.50 0.25 -0.69 -0.69 0.00 0.00 174.62 174.77 2qa4 s VAL 48 N -0.87 0.11 -0.07 3.82 1.01 0.09 -0.67 120.40 123.82 2qa4 s VAL 48 Ca 0.14 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.31 2qa4 s VAL 48 Cb -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2qa4 s VAL 48 CO 0.04 -0.48 -0.24 -1.83 0.00 0.00 0.00 175.10 172.59 2qa4 s GLU 49 N -3.02 2.71 0.09 2.72 -1.05 0.26 -0.63 118.70 119.76 2qa4 s GLU 49 Ca -0.02 -0.88 -0.31 0.00 -0.15 0.00 0.00 54.97 53.62 2qa4 s GLU 49 Cb 0.01 -2.18 -0.07 0.00 -0.44 0.00 0.00 34.13 31.45 2qa4 s GLU 49 CO -0.06 0.29 1.27 0.08 0.95 0.00 0.00 175.26 177.79 2qa4 s VAL 50 N 0.05 3.74 -0.11 1.83 1.01 0.75 -1.19 120.40 126.48 2qa4 s VAL 50 Ca -0.10 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.21 2qa4 s VAL 50 Cb -0.15 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 2qa4 s VAL 50 CO 0.06 0.10 -0.00 0.18 0.00 0.00 0.00 175.10 175.43 2qa4 n LEU 51 N 3.88 0.79 -0.01 3.92 4.77 -0.04 -0.13 117.00 130.18 2qa4 n LEU 51 Ca 0.10 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2qa4 n LEU 51 Cb 0.45 0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2qa4 n LEU 51 CO 0.57 0.39 -0.54 0.54 -1.33 0.00 0.00 177.39 177.02 2qa4 n ARG 52 N -2.53 2.26 -0.04 3.23 5.12 -1.13 -4.74 116.66 118.83 2qa4 n ARG 52 Ca -0.19 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.67 2qa4 n ARG 52 Cb 0.83 -1.02 0.06 0.00 -1.16 0.00 0.00 32.46 31.16 2qa4 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qa4 n GLY 53 N 3.15 -3.73 0.16 -0.13 0.00 -1.26 -4.71 105.19 98.68 2qa4 n GLY 53 Ca -0.02 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.91 2qa4 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qa4 h ASP 54 N -2.31 0.00 -0.09 1.61 3.45 -2.01 -2.28 116.42 114.79 2qa4 h ASP 54 Ca -0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2qa4 h ASP 54 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2qa4 h ASP 54 CO 0.05 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.21 2qa4 n PHE 55 N -2.46 0.10 -1.32 4.55 3.01 -1.26 -5.00 117.46 115.08 2qa4 n PHE 55 Ca 0.02 -0.05 -0.38 0.00 1.01 0.00 0.00 57.45 58.05 2qa4 n PHE 55 Cb 0.27 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.77 2qa4 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qa4 n ALA 56 N 0.59 -2.26 0.00 4.37 0.00 -0.86 -2.49 120.51 119.85 2qa4 n ALA 56 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2qa4 n ALA 56 Cb 0.42 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2qa4 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa4 n GLY 57 N 2.17 2.37 3.57 0.00 0.00 0.81 -4.95 105.19 109.16 2qa4 n GLY 57 Ca 0.09 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2qa4 n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qa4 n GLU 58 N 0.00 0.59 -4.51 1.61 1.02 -1.04 -4.53 120.64 113.77 2qa4 n GLU 58 Ca 0.00 0.25 -0.25 0.00 -0.02 0.00 0.00 57.16 57.14 2qa4 n GLU 58 Cb 0.00 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 29.24 2qa4 n GLU 58 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2qa4 s GLU 59 N -2.91 1.75 0.00 3.49 2.02 -1.26 -0.18 118.70 121.61 2qa4 s GLU 59 Ca 0.72 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2qa4 s GLU 59 Cb -0.38 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2qa4 s GLU 59 CO 0.51 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.37 2qa4 n GLY 60 N -0.73 0.57 3.70 -1.39 0.00 0.19 -4.96 105.19 102.58 2qa4 n GLY 60 Ca -0.05 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 2qa4 n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qa4 s GLU 61 N -2.00 4.37 -0.18 1.61 2.12 -1.26 -0.73 118.70 122.63 2qa4 s GLU 61 Ca 0.00 0.84 -0.29 0.00 0.36 0.00 0.00 54.97 55.88 2qa4 s GLU 61 Cb 0.00 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 2qa4 s GLU 61 CO 0.00 -0.05 1.93 0.08 -0.54 0.00 0.00 175.26 176.68 2qa4 s VAL 62 N 1.20 3.28 0.02 3.70 1.01 -0.23 -1.91 120.40 127.48 2qa4 s VAL 62 Ca 0.36 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 2qa4 s VAL 62 Cb -0.17 -3.31 -0.32 0.00 0.00 0.00 0.00 36.38 32.58 2qa4 s VAL 62 CO 0.16 -0.15 0.94 0.40 0.00 0.00 0.00 175.10 176.44 2qa4 h ILE 63 N 6.49 1.23 -3.03 2.22 1.08 -1.11 -3.38 117.51 121.01 2qa4 h ILE 63 Ca -0.40 -2.74 -0.08 0.00 -0.39 0.00 0.00 64.86 61.25 2qa4 h ILE 63 Cb 1.20 2.93 -0.16 0.00 -3.07 0.00 0.00 36.82 37.72 2qa4 h ILE 63 CO 0.98 0.84 -0.10 0.21 -0.69 0.00 0.00 178.15 179.38 2qa4 s ASN 64 N -7.37 -0.29 -0.05 1.72 2.47 -1.15 -4.91 114.94 105.37 2qa4 s ASN 64 Ca -0.09 -0.00 0.01 0.00 0.42 0.00 0.00 52.86 53.19 2qa4 s ASN 64 Cb 0.05 0.43 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 2qa4 s ASN 64 CO 0.90 -0.67 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.88 2qa4 s VAL 65 N -2.50 0.60 -0.23 -5.21 1.01 -1.26 -0.31 120.40 112.50 2qa4 s VAL 65 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2qa4 s VAL 65 Cb -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2qa4 s VAL 65 CO -0.03 0.25 -0.05 -0.62 0.00 0.00 0.00 175.10 174.65 2qa4 s ASP 66 N 1.08 4.23 0.11 3.32 -1.08 -0.44 -5.00 116.67 118.89 2qa4 s ASP 66 Ca -0.08 -0.51 -0.02 0.00 -0.52 0.00 0.00 52.55 51.41 2qa4 s ASP 66 Cb -0.14 -1.71 -0.18 0.00 -1.46 0.00 0.00 42.92 39.43 2qa4 s ASP 66 CO -0.01 -0.05 1.24 -0.07 0.52 0.00 0.00 175.17 176.81 2qa4 h LEU 67 N 8.09 0.37 0.50 -1.34 3.38 -1.95 0.94 115.31 125.29 2qa4 h LEU 67 Ca -0.40 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 2qa4 h LEU 67 Cb 1.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qa4 h LEU 67 CO 0.60 1.22 -0.28 -0.78 0.09 0.00 0.00 178.44 179.29 2qa4 h ASP 68 N 0.11 -0.67 0.10 -0.43 -0.00 -1.95 -3.11 116.42 110.46 2qa4 h ASP 68 Ca -0.09 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.97 2qa4 h ASP 68 Cb 1.77 0.19 0.00 0.00 -0.00 0.00 0.00 39.33 41.29 2qa4 h ASP 68 CO 0.17 -0.45 -0.26 0.29 -0.00 0.00 0.00 179.24 179.00 2qa4 n LYS 69 N -5.42 1.21 -3.46 0.28 5.02 -1.25 -4.99 118.16 109.54 2qa4 n LYS 69 Ca -0.12 -0.84 -0.21 0.00 -2.02 0.00 0.00 58.31 55.12 2qa4 n LYS 69 Cb 0.31 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2qa4 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qa4 n ALA 70 N -0.16 -2.55 -3.18 7.82 0.00 0.25 -5.03 120.51 117.66 2qa4 n ALA 70 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2qa4 n ALA 70 Cb 0.41 -3.85 -0.07 0.00 0.00 0.00 0.00 19.45 15.93 2qa4 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qa4 s VAL 71 N -3.32 0.06 0.09 0.00 1.01 -0.77 -4.73 120.40 112.73 2qa4 s VAL 71 Ca 0.35 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2qa4 s VAL 71 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2qa4 s VAL 71 CO 0.81 -0.26 -0.24 0.27 0.00 0.00 0.00 175.10 175.69 2qa4 s ILE 72 N -2.16 2.40 -0.16 2.22 -4.36 -0.21 -1.33 121.20 117.60 2qa4 s ILE 72 Ca -0.07 -1.51 -0.08 0.00 -0.26 0.00 0.00 60.65 58.73 2qa4 s ILE 72 Cb -0.02 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2qa4 s ILE 72 CO -0.00 0.22 0.12 -1.00 0.24 0.00 0.00 174.94 174.52 2qa4 s HIS 73 N -0.97 3.45 0.16 1.37 3.76 0.57 -1.92 115.29 121.72 2qa4 s HIS 73 Ca 0.14 0.37 0.10 0.00 -0.15 0.00 0.00 55.06 55.52 2qa4 s HIS 73 Cb -0.10 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 2qa4 s HIS 73 CO 0.05 0.46 -0.23 0.08 -0.85 0.00 0.00 174.74 174.26 2qa4 s VAL 74 N -0.27 2.14 0.06 -0.90 1.01 -1.26 -0.69 120.40 120.49 2qa4 s VAL 74 Ca 0.10 -1.90 -0.31 0.00 0.00 0.00 0.00 61.98 59.88 2qa4 s VAL 74 Cb -0.12 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 2qa4 s VAL 74 CO 0.01 -0.11 1.25 -0.70 0.00 0.00 0.00 175.10 175.54 2qa4 s GLU 75 N -2.49 4.39 0.00 2.72 2.12 -0.80 -3.29 118.70 121.36 2qa4 s GLU 75 Ca 0.17 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.33 2qa4 s GLU 75 Cb -0.08 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2qa4 s GLU 75 CO 0.08 -0.33 0.00 -0.25 -0.54 0.00 0.00 175.26 174.22 2qa4 n ASP 76 N 4.12 0.00 -4.43 -1.70 8.00 -1.26 -4.60 116.55 116.68 2qa4 n ASP 76 Ca 0.10 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.16 2qa4 n ASP 76 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 2qa4 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qa4 s VAL 77 N -2.46 4.71 0.28 2.53 1.01 -1.21 -4.96 120.40 120.31 2qa4 s VAL 77 Ca 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.80 2qa4 s VAL 77 Cb 0.00 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2qa4 s VAL 77 CO 0.00 -1.39 0.16 0.35 0.00 0.00 0.00 175.10 174.22 2qa4 n THR 78 N 5.50 0.00 -4.25 3.92 -2.24 -1.26 -2.81 114.28 113.14 2qa4 n THR 78 Ca 0.10 -1.82 -0.19 0.00 -2.27 0.00 0.00 64.05 59.87 2qa4 n THR 78 Cb 0.47 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.32 2qa4 n THR 78 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qa4 s LEU 79 N 0.00 1.73 -0.48 3.22 1.43 0.26 -4.70 118.68 120.14 2qa4 s LEU 79 Ca 0.22 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 2qa4 s LEU 79 Cb 0.01 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.83 2qa4 s LEU 79 CO 0.16 0.03 1.16 -0.70 0.23 0.00 0.00 176.35 177.23 2qa4 s GLU 80 N 0.29 3.70 0.86 1.70 2.56 -1.26 -1.11 118.70 125.42 2qa4 s GLU 80 Ca -0.04 0.56 -0.12 0.00 0.00 0.00 0.00 54.97 55.37 2qa4 s GLU 80 Cb -0.08 -3.92 0.11 0.00 2.00 0.00 0.00 34.13 32.23 2qa4 s GLU 80 CO 0.00 -1.42 1.11 0.15 -0.56 0.00 0.00 175.26 174.54 2qa4 s LYS 81 N 4.54 1.58 0.27 4.30 1.02 -0.99 -4.96 119.74 125.50 2qa4 s LYS 81 Ca 0.48 0.48 -0.03 0.00 0.02 0.00 0.00 55.97 56.93 2qa4 s LYS 81 Cb -0.07 -1.87 0.37 0.00 -0.52 0.00 0.00 37.83 35.73 2qa4 s LYS 81 CO 0.32 -1.94 1.87 1.15 -0.92 0.00 0.00 175.35 175.83 2qa4 h THR 82 N -1.31 1.23 0.00 2.17 2.02 -1.96 -2.78 112.91 112.28 2qa4 h THR 82 Ca -0.49 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2qa4 h THR 82 Cb 1.30 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2qa4 h THR 82 CO 0.60 0.28 -0.18 -2.24 0.37 0.00 0.00 175.52 174.35 2qa4 h ASP 83 N 0.99 0.00 0.00 4.18 2.03 -2.03 -3.46 116.42 118.13 2qa4 h ASP 83 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 2qa4 h ASP 83 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2qa4 h ASP 83 CO -0.03 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 2qa4 n GLY 84 N 0.03 1.62 2.71 7.15 0.00 -1.05 -5.13 105.19 110.52 2qa4 n GLY 84 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2qa4 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qa4 n GLU 85 N 0.00 -3.27 -3.60 1.61 2.13 -1.26 -4.77 120.64 111.48 2qa4 n GLU 85 Ca 0.00 -1.32 -0.16 0.00 0.66 0.00 0.00 57.16 56.34 2qa4 n GLU 85 Cb 0.00 -1.38 -0.14 0.00 0.27 0.00 0.00 31.44 30.19 2qa4 n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2qa4 s GLU 86 N -4.88 0.14 0.16 5.31 2.12 -1.26 -2.33 118.70 117.96 2qa4 s GLU 86 Ca 0.56 0.50 0.10 0.00 0.36 0.00 0.00 54.97 56.50 2qa4 s GLU 86 Cb -0.07 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.76 2qa4 s GLU 86 CO 0.44 -0.43 -0.22 0.14 -0.54 0.00 0.00 175.26 174.65 2qa4 s VAL 87 N 2.36 2.53 0.11 3.70 -7.23 -0.27 -4.85 120.40 116.75 2qa4 s VAL 87 Ca 0.04 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.09 2qa4 s VAL 87 Cb -0.13 -2.18 -0.11 0.00 0.56 0.00 0.00 36.38 34.51 2qa4 s VAL 87 CO -0.09 -0.01 1.83 -0.81 -0.31 0.00 0.00 175.10 175.71 2qa4 n PRO 88 N 0.53 2.74 -2.92 4.82 -0.04 -1.26 0.93 135.00 139.79 2qa4 n PRO 88 Ca -0.14 1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.89 2qa4 n PRO 88 Cb 0.54 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 2qa4 n PRO 88 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2qa4 s ARG 89 N 2.72 3.56 0.82 0.54 6.06 -1.12 -4.82 118.95 126.71 2qa4 s ARG 89 Ca 0.82 0.11 -0.15 0.00 -2.50 0.00 0.00 55.73 54.02 2qa4 s ARG 89 Cb -0.50 -3.89 -0.00 0.00 0.06 0.00 0.00 34.95 30.62 2qa4 s ARG 89 CO 0.38 -1.05 0.54 -2.30 -2.50 0.00 0.00 175.30 170.38 2qa4 n PRO 90 N 6.72 0.08 -3.80 5.12 -0.02 -1.26 -4.67 135.00 137.16 2qa4 n PRO 90 Ca 0.04 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 2qa4 n PRO 90 Cb 0.48 -1.90 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 2qa4 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qa4 s LEU 91 N -1.03 1.17 -0.14 2.45 1.43 -0.81 -4.96 118.68 116.79 2qa4 s LEU 91 Ca 0.63 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.96 2qa4 s LEU 91 Cb -0.29 0.70 -0.04 0.00 0.03 0.00 0.00 46.19 46.60 2qa4 s LEU 91 CO 0.61 -0.08 0.52 -0.62 0.23 0.00 0.00 176.35 177.02 2qa4 s ASP 92 N 0.17 6.68 0.26 2.29 -1.08 -1.26 -1.05 116.67 122.67 2qa4 s ASP 92 Ca -0.00 0.81 -0.12 0.00 -0.52 0.00 0.00 52.55 52.72 2qa4 s ASP 92 Cb -0.02 -2.31 0.37 0.00 -1.46 0.00 0.00 42.92 39.51 2qa4 s ASP 92 CO -0.00 -0.09 1.55 0.35 0.52 0.00 0.00 175.17 177.50 2qa4 n THR 93 N 4.03 -0.46 -0.44 1.71 -2.24 -1.26 -1.46 114.28 114.16 2qa4 n THR 93 Ca -0.05 2.30 0.36 0.00 -2.27 0.00 0.00 64.05 64.38 2qa4 n THR 93 Cb 0.51 -3.12 0.65 0.00 -2.10 0.00 0.00 70.33 66.27 2qa4 n THR 93 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2qa4 h SER 94 N 0.00 0.23 -0.27 3.42 0.87 -1.91 0.59 113.55 116.48 2qa4 h SER 94 Ca 0.43 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2qa4 h SER 94 Cb 0.67 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2qa4 h SER 94 CO -1.01 -0.10 0.00 0.59 -0.53 0.00 0.00 176.83 175.78 2qa4 n ASN 95 N -4.56 3.13 -3.98 6.23 3.02 -0.53 -4.90 115.26 113.67 2qa4 n ASN 95 Ca 0.35 -2.41 -0.09 0.00 -0.03 0.00 0.00 54.58 52.40 2qa4 n ASN 95 Cb 1.38 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 39.87 2qa4 n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qa4 s VAL 96 N -1.80 0.12 -0.12 2.41 0.11 0.21 -0.86 120.40 120.46 2qa4 s VAL 96 Ca 0.25 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2qa4 s VAL 96 Cb 0.19 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2qa4 s VAL 96 CO 0.08 -0.56 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.50 2qa4 s ARG 97 N -1.90 2.61 0.06 1.54 3.52 -0.34 -3.60 118.95 120.85 2qa4 s ARG 97 Ca -0.12 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 2qa4 s ARG 97 Cb -0.06 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.14 2qa4 s ARG 97 CO -0.02 -0.01 1.12 0.08 -0.81 0.00 0.00 175.30 175.65 2qa4 s VAL 98 N 0.84 4.26 -0.20 7.11 1.01 -0.37 0.90 120.40 133.95 2qa4 s VAL 98 Ca -0.08 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 2qa4 s VAL 98 Cb -0.16 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 2qa4 s VAL 98 CO -0.00 0.15 -0.18 0.35 0.00 0.00 0.00 175.10 175.41 2qa4 n THR 99 N 3.71 1.11 -4.16 3.92 -2.24 0.16 -2.17 114.28 114.61 2qa4 n THR 99 Ca 0.07 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 2qa4 n THR 99 Cb 0.48 -1.27 -0.12 0.00 -2.10 0.00 0.00 70.33 67.32 2qa4 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qa4 s ASP 100 N -6.01 1.56 -0.07 3.42 -1.08 -1.16 -4.82 116.67 108.51 2qa4 s ASP 100 Ca -0.26 -0.65 0.03 0.00 -0.52 0.00 0.00 52.55 51.15 2qa4 s ASP 100 Cb 0.07 -0.03 -0.02 0.00 -1.46 0.00 0.00 42.92 41.48 2qa4 s ASP 100 CO 0.44 -0.12 -0.15 -0.76 0.52 0.00 0.00 175.17 175.09 2qa4 s LEU 101 N -1.87 2.68 -0.51 -1.34 1.43 -1.26 -0.89 118.68 116.92 2qa4 s LEU 101 Ca -0.01 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 2qa4 s LEU 101 Cb -0.09 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2qa4 s LEU 101 CO 0.02 0.30 0.68 -0.62 0.23 0.00 0.00 176.35 176.95 2qa4 s ASP 102 N -0.46 6.24 -0.33 2.29 -1.08 -1.26 -4.91 116.67 117.15 2qa4 s ASP 102 Ca 0.06 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 51.36 2qa4 s ASP 102 Cb -0.12 -2.31 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 2qa4 s ASP 102 CO 0.02 -0.94 1.77 0.18 0.52 0.00 0.00 175.17 176.72 2qa4 n LEU 103 N 6.37 5.89 0.14 -1.34 4.77 -1.26 -4.63 117.00 126.95 2qa4 n LEU 103 Ca -0.05 -3.33 0.19 0.00 -0.03 0.00 0.00 56.01 52.79 2qa4 n LEU 103 Cb 0.46 -0.74 0.78 0.00 -2.33 0.00 0.00 43.42 41.59 2qa4 n LEU 103 CO 0.56 0.88 1.17 -0.33 -1.33 0.00 0.00 177.39 178.34 2qa4 h GLU 104 N 2.18 0.00 -5.86 3.23 5.08 -2.04 -3.39 114.58 113.78 2qa4 h GLU 104 Ca 0.31 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.08 2qa4 h GLU 104 Cb 2.31 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.48 2qa4 h GLU 104 CO 0.74 0.00 0.55 0.34 -1.00 0.00 0.00 179.01 179.64 2qa4 s ASP 105 N -5.46 6.89 0.24 1.42 2.15 -1.26 -4.91 116.67 115.74 2qa4 s ASP 105 Ca -0.04 1.10 -0.07 0.00 0.43 0.00 0.00 52.55 53.97 2qa4 s ASP 105 Cb 0.15 -2.46 0.23 0.00 -0.30 0.00 0.00 42.92 40.54 2qa4 s ASP 105 CO 0.54 -0.56 1.91 -0.33 -0.17 0.00 0.00 175.17 176.56 2qa4 h GLU 106 N 7.65 1.25 -0.46 4.34 5.08 -2.01 -2.81 114.58 127.62 2qa4 h GLU 106 Ca -0.22 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 2qa4 h GLU 106 Cb 1.08 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2qa4 h GLU 106 CO 0.90 0.84 -0.12 0.87 -1.00 0.00 0.00 179.01 180.51 2qa4 h LYS 107 N 1.28 0.85 0.78 2.33 1.57 -1.92 -2.06 116.57 119.40 2qa4 h LYS 107 Ca 0.34 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2qa4 h LYS 107 Cb -0.12 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.14 2qa4 h LYS 107 CO -0.07 0.92 -0.37 -0.09 -0.57 0.00 0.00 179.45 179.27 2qa4 h ARG 108 N 0.76 -1.01 -1.04 3.15 2.43 -1.88 -2.64 114.38 114.16 2qa4 h ARG 108 Ca 0.12 0.07 0.27 0.00 -0.81 0.00 0.00 59.98 59.64 2qa4 h ARG 108 Cb 0.62 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 30.29 2qa4 h ARG 108 CO 0.04 -0.66 0.63 1.49 -1.51 0.00 0.00 179.97 179.97 2qa4 h GLU 109 N -1.19 0.44 -0.60 0.20 4.81 -1.51 0.21 114.58 116.95 2qa4 h GLU 109 Ca -0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2qa4 h GLU 109 Cb 0.82 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2qa4 h GLU 109 CO 0.18 0.29 0.24 0.00 -0.73 0.00 0.00 179.01 178.99 2qa4 h ALA 110 N 1.70 0.77 -0.15 2.92 0.00 -1.16 -1.92 119.26 121.42 2qa4 h ALA 110 Ca 0.65 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 55.23 2qa4 h ALA 110 Cb 1.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2qa4 h ALA 110 CO -0.42 0.39 -0.59 0.00 0.00 0.00 0.00 179.25 178.62 2qa4 h ARG 111 N 0.83 0.50 -0.50 0.00 3.08 -0.34 -2.84 114.38 115.11 2qa4 h ARG 111 Ca 0.20 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2qa4 h ARG 111 Cb 0.20 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qa4 h ARG 111 CO -0.02 0.94 0.22 -0.07 -1.07 0.00 0.00 179.97 179.97 2qa4 h LEU 112 N 0.37 0.64 0.00 3.04 3.38 -0.61 -3.32 115.31 118.82 2qa4 h LEU 112 Ca -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qa4 h LEU 112 Cb 1.14 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2qa4 h LEU 112 CO 0.11 0.57 -0.23 -0.33 0.09 0.00 0.00 178.44 178.65 2qa4 h GLU 113 N 0.71 0.00 -6.33 1.13 5.08 -1.34 -3.45 114.58 110.38 2qa4 h GLU 113 Ca 0.17 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.88 2qa4 h GLU 113 Cb 0.12 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.44 2qa4 h GLU 113 CO -0.02 0.29 0.30 -1.13 -1.00 0.00 0.00 179.01 177.45 2qa4 n SER 114 N -4.68 1.41 0.00 1.42 3.41 -1.07 -4.84 113.62 109.27 2qa4 n SER 114 Ca -0.07 1.14 0.13 0.00 -0.26 0.00 0.00 58.87 59.82 2qa4 n SER 114 Cb 0.22 -1.22 0.66 0.00 -0.26 0.00 0.00 64.21 63.61 2qa4 n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2qa4 n GLU 115 N 1.84 0.30 0.16 4.33 0.28 -1.26 -3.70 120.64 122.59 2qa4 n GLU 115 Ca 0.15 0.03 0.11 0.00 -0.16 0.00 0.00 57.16 57.29 2qa4 n GLU 115 Cb 0.24 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.69 2qa4 n GLU 115 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2qa4 h ASP 116 N 0.00 0.00 -3.85 -1.84 3.32 -1.91 -3.47 116.42 108.66 2qa4 h ASP 116 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 2qa4 h ASP 116 Cb 0.30 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.71 2qa4 h ASP 116 CO 0.00 0.06 -0.59 -0.62 -1.72 0.00 0.00 179.24 176.36 2qa4 s ASP 117 N -5.88 1.90 -0.02 6.45 -1.08 -1.24 -5.17 116.67 111.63 2qa4 s ASP 117 Ca 0.03 -1.44 0.01 0.00 -0.52 0.00 0.00 52.55 50.63 2qa4 s ASP 117 Cb 0.07 0.14 0.01 0.00 -1.46 0.00 0.00 42.92 41.68 2qa4 s ASP 117 CO 0.73 -0.73 -0.01 -0.94 0.52 0.00 0.00 175.17 174.74 2qa4 s SER 118 N -3.43 0.35 0.00 -0.34 1.04 -1.26 -4.78 113.70 105.28 2qa4 s SER 118 Ca 0.35 -0.04 0.23 0.00 0.48 0.00 0.00 55.95 56.98 2qa4 s SER 118 Cb 0.07 -0.12 0.18 0.00 0.10 0.00 0.00 66.02 66.25 2qa4 s SER 118 CO 0.15 -0.03 1.23 0.00 0.98 0.00 0.00 173.24 175.57