#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb4 n TYR 5 N 0.00 0.00 -0.13 3.69 4.01 -1.26 -4.12 117.16 119.36 1qb4 n TYR 5 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1qb4 n TYR 5 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1qb4 n TYR 5 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qb4 h SER 6 N 0.00 -1.14 -0.91 7.72 4.64 -2.02 -0.34 113.55 121.50 1qb4 h SER 6 Ca 0.00 0.20 0.11 0.00 -0.47 0.00 0.00 61.79 61.62 1qb4 h SER 6 Cb 0.00 0.53 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 1qb4 h SER 6 CO 0.00 -0.32 0.58 0.00 -0.87 0.00 0.00 176.83 176.22 1qb4 h ALA 7 N 0.74 1.64 -0.24 5.18 0.00 -1.98 0.42 119.26 125.04 1qb4 h ALA 7 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1qb4 h ALA 7 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qb4 h ALA 7 CO -0.56 0.16 -0.35 1.25 0.00 0.00 0.00 179.25 179.75 1qb4 h LEU 8 N 0.88 0.72 -1.12 0.00 5.85 -1.58 -2.44 115.31 117.61 1qb4 h LEU 8 Ca 0.43 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1qb4 h LEU 8 Cb 0.46 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1qb4 h LEU 8 CO -0.19 1.09 0.06 0.03 -0.34 0.00 0.00 178.44 179.09 1qb4 h ARG 9 N 0.36 0.68 0.31 1.25 2.47 0.29 -1.62 114.38 118.13 1qb4 h ARG 9 Ca 0.02 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 1qb4 h ARG 9 Cb 0.94 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1qb4 h ARG 9 CO 0.08 0.65 -0.15 0.66 0.56 0.00 0.00 179.97 181.78 1qb4 h SER 10 N 0.66 -0.35 -0.68 7.04 4.64 -0.93 -2.60 113.55 121.32 1qb4 h SER 10 Ca 0.14 -0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1qb4 h SER 10 Cb 0.31 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 1qb4 h SER 10 CO 0.00 -0.07 0.35 0.78 -0.87 0.00 0.00 176.83 177.03 1qb4 h ASN 11 N -0.65 0.48 -0.73 4.97 2.35 -1.27 0.20 115.58 120.93 1qb4 h ASN 11 Ca -0.04 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1qb4 h ASN 11 Cb 0.46 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1qb4 h ASN 11 CO 0.07 0.29 0.22 -0.37 -1.65 0.00 0.00 177.43 175.99 1qb4 h VAL 12 N 0.62 1.26 -0.51 2.81 -1.51 -1.25 0.14 116.25 117.81 1qb4 h VAL 12 Ca 0.32 -0.92 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1qb4 h VAL 12 Cb 0.29 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 29.89 1qb4 h VAL 12 CO -0.24 0.36 0.18 -1.28 -1.23 0.00 0.00 177.57 175.37 1qb4 h SER 13 N 1.09 0.72 0.68 4.19 0.87 -0.87 -1.73 113.55 118.50 1qb4 h SER 13 Ca 0.24 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1qb4 h SER 13 Cb 0.32 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1qb4 h SER 13 CO -0.01 0.71 -0.32 -0.03 -0.53 0.00 0.00 176.83 176.65 1qb4 h MET 14 N 0.69 -0.87 -0.13 2.24 -1.53 0.03 -1.24 114.93 114.11 1qb4 h MET 14 Ca 0.17 0.06 0.04 0.00 -3.44 0.00 0.00 59.70 56.52 1qb4 h MET 14 Cb 0.24 0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 1qb4 h MET 14 CO -0.01 -0.57 0.13 -0.07 0.14 0.00 0.00 176.91 176.54 1qb4 h LEU 15 N -0.95 0.00 0.03 3.39 3.38 -0.69 -0.39 115.31 120.07 1qb4 h LEU 15 Ca -0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.61 1qb4 h LEU 15 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1qb4 h LEU 15 CO 0.15 0.00 -1.16 1.23 0.09 0.00 0.00 178.44 178.75 1qb4 h GLY 16 N 0.00 0.49 0.78 0.83 0.00 -1.04 -2.46 103.07 101.67 1qb4 h GLY 16 Ca 0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.33 1qb4 h GLY 16 CO -0.00 0.91 -0.24 0.50 0.00 0.00 0.00 176.54 177.71 1qb4 h LYS 17 N 0.19 -0.64 -0.72 4.80 6.56 0.12 -0.34 116.57 126.53 1qb4 h LYS 17 Ca -0.14 0.04 0.16 0.00 -1.06 0.00 0.00 60.65 59.65 1qb4 h LYS 17 Cb 1.84 0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 33.52 1qb4 h LYS 17 CO 0.20 -0.35 -0.01 0.28 -2.06 0.00 0.00 179.45 177.52 1qb4 h VAL 18 N -0.90 0.37 -0.48 0.50 2.07 -1.37 0.50 116.25 116.94 1qb4 h VAL 18 Ca -0.07 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1qb4 h VAL 18 Cb 0.60 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1qb4 h VAL 18 CO 0.11 0.02 0.25 0.25 0.02 0.00 0.00 177.57 178.22 1qb4 h LEU 19 N 0.10 0.38 -0.71 2.57 5.85 -1.17 -0.77 115.31 121.55 1qb4 h LEU 19 Ca 0.38 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.09 1qb4 h LEU 19 Cb 0.66 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1qb4 h LEU 19 CO -0.64 0.27 0.30 1.23 -0.34 0.00 0.00 178.44 179.26 1qb4 h GLY 20 N 0.50 1.13 0.60 3.75 0.00 0.62 0.12 103.07 109.79 1qb4 h GLY 20 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1qb4 h GLY 20 CO -0.13 0.57 -0.46 0.83 0.00 0.00 0.00 176.54 177.35 1qb4 h GLU 21 N 1.01 -0.93 -1.00 4.80 5.08 0.98 -0.19 114.58 124.33 1qb4 h GLU 21 Ca 0.24 0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.87 1qb4 h GLU 21 Cb 0.19 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 1qb4 h GLU 21 CO -0.02 -0.62 0.61 1.15 -1.00 0.00 0.00 179.01 179.13 1qb4 h THR 22 N -0.96 0.65 -0.07 1.13 2.02 -0.90 -0.40 112.91 114.38 1qb4 h THR 22 Ca -0.06 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.70 1qb4 h THR 22 Cb 0.83 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1qb4 h THR 22 CO -0.04 0.12 -0.77 0.40 0.37 0.00 0.00 175.52 175.60 1qb4 h ILE 23 N 0.67 1.37 0.53 3.11 2.04 -0.64 -0.68 117.51 123.91 1qb4 h ILE 23 Ca 0.59 -2.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1qb4 h ILE 23 Cb 1.04 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1qb4 h ILE 23 CO -0.39 0.66 -0.25 0.11 0.00 0.00 0.00 178.15 178.28 1qb4 h LYS 24 N 0.29 -0.68 -0.04 2.37 1.57 0.57 -2.71 116.57 117.94 1qb4 h LYS 24 Ca -0.04 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1qb4 h LYS 24 Cb 1.36 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.77 1qb4 h LYS 24 CO 0.14 -0.41 -0.54 -0.44 -0.57 0.00 0.00 179.45 177.62 1qb4 h ASP 25 N -0.80 -1.67 0.00 0.86 3.32 -1.27 -3.26 116.42 113.59 1qb4 h ASP 25 Ca -0.07 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1qb4 h ASP 25 Cb 0.58 0.64 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1qb4 h ASP 25 CO 0.12 -0.51 0.00 0.00 -1.72 0.00 0.00 179.24 177.13 1qb4 n ALA 26 N -2.97 0.00 0.00 3.45 0.00 -0.27 -4.60 120.51 116.12 1qb4 n ALA 26 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qb4 n ALA 26 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1qb4 n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1qb4 n LEU 27 N -0.50 0.00 -3.58 0.00 -0.00 -1.17 -5.10 117.00 106.65 1qb4 n LEU 27 Ca 0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 1qb4 n LEU 27 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1qb4 n LEU 27 CO 0.00 0.00 0.76 -0.83 -0.00 0.00 0.00 177.39 177.32 1qb4 s GLY 28 N -0.00 -0.38 -0.01 1.47 0.00 -1.04 -4.87 107.32 102.49 1qb4 s GLY 28 Ca 0.00 0.85 0.11 0.00 0.00 0.00 0.00 44.72 45.68 1qb4 s GLY 28 CO 0.00 0.27 0.30 1.18 0.00 0.00 0.00 173.10 174.85 1qb4 n GLU 29 N -0.30 1.38 -0.04 2.90 1.02 -1.26 -3.66 120.64 120.67 1qb4 n GLU 29 Ca -0.07 -0.07 -0.15 0.00 -0.02 0.00 0.00 57.16 56.85 1qb4 n GLU 29 Cb 0.61 -1.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.78 1qb4 n GLU 29 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1qb4 h HIS 30 N 0.00 0.72 -0.29 -0.32 2.76 -1.97 -2.38 115.15 113.67 1qb4 h HIS 30 Ca 0.00 -0.29 -0.14 0.00 -2.20 0.00 0.00 60.37 57.74 1qb4 h HIS 30 Cb 0.41 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1qb4 h HIS 30 CO 0.00 1.06 -0.35 0.82 -1.30 0.00 0.00 177.93 178.15 1qb4 h ILE 31 N 0.18 1.30 -0.23 6.26 2.04 -1.94 0.33 117.51 125.45 1qb4 h ILE 31 Ca -0.02 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.33 1qb4 h ILE 31 Cb 1.07 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1qb4 h ILE 31 CO 0.10 0.49 0.16 -0.07 0.00 0.00 0.00 178.15 178.83 1qb4 h LEU 32 N 0.51 0.19 -0.12 1.44 -0.00 -1.75 0.35 115.31 115.93 1qb4 h LEU 32 Ca 0.04 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.68 1qb4 h LEU 32 Cb 0.94 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1qb4 h LEU 32 CO 0.08 0.14 -0.91 -0.08 -0.00 0.00 0.00 178.44 177.67 1qb4 h GLU 33 N 0.23 0.66 -0.95 1.13 4.22 -0.97 -0.59 114.58 118.31 1qb4 h GLU 33 Ca 0.09 -0.63 0.08 0.00 0.08 0.00 0.00 59.36 58.99 1qb4 h GLU 33 Cb 0.10 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1qb4 h GLU 33 CO -0.02 1.24 0.61 0.00 -2.18 0.00 0.00 179.01 178.66 1qb4 h ARG 34 N 0.41 0.99 0.03 1.92 2.47 0.17 0.33 114.38 120.71 1qb4 h ARG 34 Ca -0.09 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1qb4 h ARG 34 Cb 1.54 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1qb4 h ARG 34 CO 0.18 0.66 -0.02 0.28 0.56 0.00 0.00 179.97 181.63 1qb4 h VAL 35 N 1.02 1.09 -0.35 2.04 2.07 -0.77 -2.99 116.25 118.37 1qb4 h VAL 35 Ca 0.43 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1qb4 h VAL 35 Cb 0.30 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1qb4 h VAL 35 CO -0.18 0.35 0.08 -0.33 0.02 0.00 0.00 177.57 177.50 1qb4 h GLU 36 N -0.96 0.51 -0.12 1.57 5.08 -0.89 -1.88 114.58 117.90 1qb4 h GLU 36 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1qb4 h GLU 36 Cb 0.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1qb4 h GLU 36 CO 0.01 0.48 -0.21 1.15 -1.00 0.00 0.00 179.01 179.43 1qb4 h THR 37 N 0.50 1.38 -0.92 1.13 2.02 -1.07 -2.71 112.91 113.23 1qb4 h THR 37 Ca 0.12 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1qb4 h THR 37 Cb 0.21 2.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 1qb4 h THR 37 CO -0.00 0.43 0.59 0.40 0.37 0.00 0.00 175.52 177.30 1qb4 h ILE 38 N -0.06 1.24 0.02 3.11 2.04 -1.33 -1.65 117.51 120.87 1qb4 h ILE 38 Ca 0.01 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1qb4 h ILE 38 Cb 0.79 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1qb4 h ILE 38 CO 0.05 0.24 -0.01 0.03 0.00 0.00 0.00 178.15 178.46 1qb4 h ARG 39 N 1.26 -0.03 -0.24 2.37 3.08 -1.35 -2.34 114.38 117.13 1qb4 h ARG 39 Ca 0.33 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.44 1qb4 h ARG 39 Cb -0.11 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.87 1qb4 h ARG 39 CO -0.07 0.33 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.50 1qb4 h LYS 40 N -0.39 -0.42 -0.52 0.04 3.64 -1.27 0.67 116.57 118.32 1qb4 h LYS 40 Ca -0.00 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1qb4 h LYS 40 Cb 0.37 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1qb4 h LYS 40 CO 0.00 -0.28 0.35 -0.07 -2.27 0.00 0.00 179.45 177.18 1qb4 h LEU 41 N -0.44 0.52 -0.14 5.20 4.07 -1.34 0.89 115.31 124.07 1qb4 h LEU 41 Ca 0.09 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.87 1qb4 h LEU 41 Cb 0.62 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 42.24 1qb4 h LEU 41 CO -0.47 0.36 -0.60 -1.28 -1.08 0.00 0.00 178.44 175.36 1qb4 h SER 42 N 0.60 0.76 -0.26 -0.43 0.87 -0.84 -1.68 113.55 112.57 1qb4 h SER 42 Ca 0.21 -0.63 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 1qb4 h SER 42 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1qb4 h SER 42 CO -0.05 1.26 -0.14 0.50 -0.53 0.00 0.00 176.83 177.87 1qb4 h LYS 43 N 0.31 0.56 0.54 2.24 3.64 -0.11 -2.66 116.57 121.09 1qb4 h LYS 43 Ca -0.04 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1qb4 h LYS 43 Cb 1.24 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1qb4 h LYS 43 CO 0.13 0.81 -0.41 1.03 -2.27 0.00 0.00 179.45 178.74 1qb4 h SER 44 N 0.29 -1.08 -0.92 4.20 0.87 -0.87 -2.33 113.55 113.70 1qb4 h SER 44 Ca 0.06 0.07 0.26 0.00 -1.23 0.00 0.00 61.79 60.95 1qb4 h SER 44 Cb 0.65 0.34 -0.14 0.00 -0.44 0.00 0.00 62.40 62.80 1qb4 h SER 44 CO 0.04 -0.59 0.35 0.28 -0.53 0.00 0.00 176.83 176.38 1qb4 h SER 45 N -0.92 0.19 -0.44 6.23 0.02 -1.30 0.49 113.55 117.82 1qb4 h SER 45 Ca -0.07 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1qb4 h SER 45 Cb 0.76 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1qb4 h SER 45 CO 0.02 -0.14 0.07 -0.09 -1.14 0.00 0.00 176.83 175.55 1qb4 h ARG 46 N 0.26 0.73 -0.60 3.45 2.43 -1.39 -3.03 114.38 116.22 1qb4 h ARG 46 Ca 0.61 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1qb4 h ARG 46 Cb 1.29 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1qb4 h ARG 46 CO -0.64 0.76 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 1qb4 n ALA 47 N -2.38 1.95 0.00 2.80 0.00 0.16 -4.78 120.51 118.25 1qb4 n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qb4 n ALA 47 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1qb4 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qb4 n GLY 48 N 0.18 2.27 3.55 0.00 0.00 -1.14 -5.03 105.19 105.03 1qb4 n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1qb4 n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qb4 s ASN 49 N -1.80 4.79 0.00 1.61 3.04 -1.21 -4.81 114.94 116.56 1qb4 s ASN 49 Ca 0.00 0.44 0.09 0.00 0.04 0.00 0.00 52.86 53.43 1qb4 s ASN 49 Cb 0.00 -2.53 0.53 0.00 -1.54 0.00 0.00 41.25 37.71 1qb4 s ASN 49 CO 0.00 -2.78 1.11 0.47 -3.04 0.00 0.00 177.10 172.86 1qb4 n ASP 50 N 14.74 0.00 -0.06 -4.21 9.92 -1.26 -2.62 116.55 133.05 1qb4 n ASP 50 Ca 0.32 -1.16 -0.10 0.00 -0.53 0.00 0.00 54.79 53.32 1qb4 n ASP 50 Cb 0.51 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.84 1qb4 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qb4 n ALA 51 N -0.69 1.48 0.95 2.24 0.00 -1.26 -3.99 120.51 119.23 1qb4 n ALA 51 Ca 0.07 -1.07 0.12 0.00 0.00 0.00 0.00 53.44 52.56 1qb4 n ALA 51 Cb 0.03 -0.47 0.57 0.00 0.00 0.00 0.00 19.45 19.57 1qb4 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qb4 n ASN 52 N -2.91 0.00 0.05 0.00 3.02 -1.08 -2.55 115.26 111.78 1qb4 n ASN 52 Ca -0.27 0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 54.57 1qb4 n ASN 52 Cb 1.11 -0.46 -0.13 0.00 -0.61 0.00 0.00 39.78 39.69 1qb4 n ASN 52 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1qb4 h ARG 53 N 0.00 0.08 -0.07 3.52 2.43 -1.67 -1.97 114.38 116.71 1qb4 h ARG 53 Ca 0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1qb4 h ARG 53 Cb 0.40 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1qb4 h ARG 53 CO 0.00 0.94 -0.09 1.96 -1.51 0.00 0.00 179.97 181.28 1qb4 h GLN 54 N 0.02 0.18 -0.99 0.20 4.20 -1.69 -1.86 115.11 115.18 1qb4 h GLN 54 Ca -0.13 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.49 1qb4 h GLN 54 Cb 1.89 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.63 1qb4 h GLN 54 CO 0.13 0.65 0.66 1.49 -0.67 0.00 0.00 178.83 181.09 1qb4 h GLU 55 N -0.28 1.30 0.11 1.46 4.57 -1.54 0.29 114.58 120.49 1qb4 h GLU 55 Ca 0.01 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1qb4 h GLU 55 Cb 0.63 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1qb4 h GLU 55 CO 0.02 0.86 -0.06 1.25 -1.18 0.00 0.00 179.01 179.90 1qb4 h LEU 56 N 1.33 -0.13 -1.14 1.64 6.46 -1.31 0.47 115.31 122.64 1qb4 h LEU 56 Ca 0.36 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1qb4 h LEU 56 Cb -0.14 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1qb4 h LEU 56 CO -0.08 0.07 0.59 -0.07 -0.62 0.00 0.00 178.44 178.33 1qb4 h LEU 57 N -0.33 0.97 -0.01 2.25 -0.00 -0.80 -0.73 115.31 116.66 1qb4 h LEU 57 Ca -0.02 -0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.63 1qb4 h LEU 57 Cb 0.27 -0.22 0.02 0.00 -0.00 0.00 0.00 40.66 40.73 1qb4 h LEU 57 CO 0.03 0.66 -0.85 0.71 -0.00 0.00 0.00 178.44 178.99 1qb4 h THR 58 N 1.12 1.34 -0.14 0.22 1.35 -0.79 -2.80 112.91 113.20 1qb4 h THR 58 Ca 0.35 -2.16 0.05 0.00 -0.55 0.00 0.00 66.41 64.10 1qb4 h THR 58 Cb 0.02 2.45 -0.06 0.00 -1.73 0.00 0.00 68.15 68.83 1qb4 h THR 58 CO -0.11 0.65 -0.23 0.74 -0.25 0.00 0.00 175.52 176.33 1qb4 h THR 59 N 0.20 0.43 -0.56 6.82 2.02 -0.57 -1.15 112.91 120.11 1qb4 h THR 59 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1qb4 h THR 59 Cb 1.53 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1qb4 h THR 59 CO 0.17 0.00 0.36 -0.07 0.37 0.00 0.00 175.52 176.34 1qb4 h LEU 60 N -0.29 0.65 -1.89 2.58 3.38 -1.21 -2.55 115.31 115.99 1qb4 h LEU 60 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1qb4 h LEU 60 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qb4 h LEU 60 CO -0.31 0.49 -0.12 1.56 0.09 0.00 0.00 178.44 180.16 1qb4 h GLN 61 N 0.75 0.00 -0.01 1.13 4.20 -1.15 -2.27 115.11 117.77 1qb4 h GLN 61 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1qb4 h GLN 61 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1qb4 h GLN 61 CO -0.04 0.12 -0.14 0.09 -0.67 0.00 0.00 178.83 178.18 1qb4 n ASN 62 N -3.58 0.98 -4.71 1.46 3.02 -0.48 -4.87 115.26 107.08 1qb4 n ASN 62 Ca -0.02 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 1qb4 n ASN 62 Cb 0.25 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1qb4 n ASN 62 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qb4 s LEU 63 N -2.34 4.36 0.71 3.41 1.43 -0.85 -4.99 118.68 120.41 1qb4 s LEU 63 Ca 0.30 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 1qb4 s LEU 63 Cb 0.20 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.85 1qb4 s LEU 63 CO 0.45 -0.73 1.08 -0.94 0.23 0.00 0.00 176.35 176.44 1qb4 s SER 64 N 1.31 5.38 0.61 2.29 1.04 -1.26 -4.90 113.70 118.18 1qb4 s SER 64 Ca 0.67 1.32 0.39 0.00 0.48 0.00 0.00 55.95 58.80 1qb4 s SER 64 Cb -0.38 -2.17 1.97 0.00 0.10 0.00 0.00 66.02 65.54 1qb4 s SER 64 CO 0.30 -1.40 2.21 0.78 0.98 0.00 0.00 173.24 176.11 1qb4 h ASN 65 N -0.69 0.00 1.76 7.02 -0.26 -1.99 0.27 115.58 121.69 1qb4 h ASN 65 Ca -0.45 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.29 1qb4 h ASN 65 Cb 1.24 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1qb4 h ASN 65 CO 0.61 0.01 -0.24 0.44 -1.06 0.00 0.00 177.43 177.20 1qb4 h ASP 66 N 0.00 0.00 0.51 5.81 3.32 -2.00 -3.27 116.42 120.79 1qb4 h ASP 66 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1qb4 h ASP 66 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1qb4 h ASP 66 CO 0.00 0.00 -1.49 -0.33 -1.72 0.00 0.00 179.24 175.71 1qb4 h GLU 67 N 0.00 0.21 -0.60 3.56 5.08 -1.31 -3.41 114.58 118.10 1qb4 h GLU 67 Ca -0.00 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1qb4 h GLU 67 Cb 1.00 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 1qb4 h GLU 67 CO 0.00 1.06 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.61 1qb4 h LEU 68 N 0.06 -1.39 0.22 1.33 3.38 -1.51 -1.80 115.31 115.60 1qb4 h LEU 68 Ca -0.22 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qb4 h LEU 68 Cb 1.99 0.61 0.00 0.00 0.09 0.00 0.00 40.66 43.35 1qb4 h LEU 68 CO 0.15 -0.17 -0.11 0.25 0.09 0.00 0.00 178.44 178.66 1qb4 h LEU 69 N -0.04 -0.25 -0.98 1.67 6.46 -1.80 -1.16 115.31 119.22 1qb4 h LEU 69 Ca 0.10 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1qb4 h LEU 69 Cb 0.29 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 1qb4 h LEU 69 CO -0.58 -0.16 0.61 1.55 -0.62 0.00 0.00 178.44 179.24 1qb4 h PRO 70 N -0.32 0.99 -0.13 5.25 0.13 -1.77 0.42 132.00 136.58 1qb4 h PRO 70 Ca -0.03 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1qb4 h PRO 70 Cb 0.24 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1qb4 h PRO 70 CO 0.05 0.66 0.03 0.28 -0.23 0.00 0.00 178.00 178.79 1qb4 h VAL 71 N 1.02 1.20 0.59 1.56 2.07 -1.23 -0.56 116.25 120.90 1qb4 h VAL 71 Ca 0.46 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1qb4 h VAL 71 Cb 0.37 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1qb4 h VAL 71 CO -0.23 0.18 -0.33 0.00 0.02 0.00 0.00 177.57 177.21 1qb4 h ALA 72 N 0.83 -0.86 -0.86 1.67 0.00 -0.72 -1.70 119.26 117.62 1qb4 h ALA 72 Ca 0.04 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1qb4 h ALA 72 Cb 0.26 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1qb4 h ALA 72 CO 0.00 -0.99 0.47 0.00 0.00 0.00 0.00 179.25 178.73 1qb4 h ARG 73 N -0.85 0.70 0.38 0.00 3.08 -0.14 0.28 114.38 117.83 1qb4 h ARG 73 Ca -0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1qb4 h ARG 73 Cb 0.68 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1qb4 h ARG 73 CO 0.10 0.46 -0.39 0.00 -1.07 0.00 0.00 179.97 179.07 1qb4 h ALA 74 N 1.52 -0.85 -0.98 0.04 0.00 -0.85 0.48 119.26 118.63 1qb4 h ALA 74 Ca 0.44 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1qb4 h ALA 74 Cb 0.54 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1qb4 h ALA 74 CO -0.31 -1.02 0.61 0.74 0.00 0.00 0.00 179.25 179.27 1qb4 h PHE 75 N -0.80 1.11 -0.51 0.00 0.05 -0.50 0.64 116.94 116.94 1qb4 h PHE 75 Ca -0.03 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 1qb4 h PHE 75 Cb 0.72 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 38.29 1qb4 h PHE 75 CO -0.22 0.47 0.12 1.03 -0.18 0.00 0.00 178.31 179.53 1qb4 h SER 76 N 1.00 0.72 -0.20 2.17 0.87 0.30 -2.51 113.55 115.90 1qb4 h SER 76 Ca 0.47 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 1qb4 h SER 76 Cb 0.41 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1qb4 h SER 76 CO -0.25 0.71 -0.24 1.56 -0.53 0.00 0.00 176.83 178.08 1qb4 h GLN 77 N 0.75 0.52 -0.75 2.24 1.08 0.21 -0.83 115.11 118.32 1qb4 h GLN 77 Ca 0.17 -0.29 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1qb4 h GLN 77 Cb 0.28 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 1qb4 h GLN 77 CO -0.00 0.88 0.45 0.74 -0.95 0.00 0.00 178.83 179.95 1qb4 h PHE 78 N 0.19 0.84 -0.71 2.96 -1.00 -0.93 0.49 116.94 118.78 1qb4 h PHE 78 Ca 0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1qb4 h PHE 78 Cb 0.80 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 1qb4 h PHE 78 CO 0.08 0.44 0.45 1.25 -1.61 0.00 0.00 178.31 178.93 1qb4 h LEU 79 N 0.85 0.83 -0.97 1.54 5.85 -1.34 -0.85 115.31 121.23 1qb4 h LEU 79 Ca 0.32 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1qb4 h LEU 79 Cb 0.11 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1qb4 h LEU 79 CO -0.15 0.62 0.62 -1.13 -0.34 0.00 0.00 178.44 178.06 1qb4 h ASN 80 N 0.96 0.98 -0.07 1.25 -0.73 0.54 -0.48 115.58 118.03 1qb4 h ASN 80 Ca 0.26 0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.29 1qb4 h ASN 80 Cb -0.08 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 1qb4 h ASN 80 CO -0.05 0.61 -0.48 -0.07 -0.37 0.00 0.00 177.43 177.07 1qb4 h LEU 81 N 1.11 0.69 -0.08 0.34 3.38 -0.65 -2.46 115.31 117.63 1qb4 h LEU 81 Ca 0.43 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1qb4 h LEU 81 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1qb4 h LEU 81 CO -0.18 1.06 -0.12 0.00 0.09 0.00 0.00 178.44 179.28 1qb4 h ALA 82 N 0.96 -0.07 -0.77 1.53 0.00 -0.42 0.14 119.26 120.63 1qb4 h ALA 82 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qb4 h ALA 82 Cb 1.02 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1qb4 h ALA 82 CO 0.10 -0.59 0.49 -0.91 0.00 0.00 0.00 179.25 178.34 1qb4 h ASN 83 N -0.17 0.90 0.07 0.00 2.35 -0.93 0.34 115.58 118.14 1qb4 h ASN 83 Ca 0.07 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1qb4 h ASN 83 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1qb4 h ASN 83 CO -0.18 0.67 -0.44 0.71 -1.65 0.00 0.00 177.43 176.54 1qb4 h THR 84 N 1.05 1.31 -0.23 2.81 1.35 -0.94 0.48 112.91 118.75 1qb4 h THR 84 Ca 0.28 -1.63 -0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1qb4 h THR 84 Cb -0.09 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1qb4 h THR 84 CO -0.06 0.50 -0.01 0.00 -0.25 0.00 0.00 175.52 175.70 1qb4 h ALA 85 N 1.16 0.31 0.07 6.62 0.00 -0.25 0.47 119.26 127.64 1qb4 h ALA 85 Ca 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qb4 h ALA 85 Cb 0.93 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1qb4 h ALA 85 CO 0.08 0.05 -0.19 1.49 0.00 0.00 0.00 179.25 180.68 1qb4 h GLU 86 N 0.17 -0.34 -0.28 0.00 4.22 0.05 -2.06 114.58 116.35 1qb4 h GLU 86 Ca 0.06 0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 1qb4 h GLU 86 Cb 0.43 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1qb4 h GLU 86 CO 0.01 -0.23 -0.10 1.96 -2.18 0.00 0.00 179.01 178.48 1qb4 h GLN 87 N -0.35 0.45 -0.09 1.92 4.20 -0.01 -2.66 115.11 118.57 1qb4 h GLN 87 Ca 0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1qb4 h GLN 87 Cb 0.39 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1qb4 h GLN 87 CO -0.13 0.56 0.05 -0.92 -0.67 0.00 0.00 178.83 177.72 1qb4 h TYR 88 N 0.42 0.12 -0.99 2.96 3.20 -0.22 -2.81 116.97 119.65 1qb4 h TYR 88 Ca 0.08 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.17 1qb4 h TYR 88 Cb 0.44 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.58 1qb4 h TYR 88 CO 0.01 0.16 0.62 1.25 -1.64 0.00 0.00 178.16 178.56 1qb4 h HIS 89 N 0.05 0.84 -0.15 -3.82 2.76 -1.29 -1.41 115.15 112.13 1qb4 h HIS 89 Ca 0.03 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 1qb4 h HIS 89 Cb 0.08 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1qb4 h HIS 89 CO -0.04 0.16 -0.29 0.77 -1.30 0.00 0.00 177.93 177.23 1qb4 h SER 90 N 0.58 0.29 0.00 3.26 0.02 -1.20 -3.15 113.55 113.35 1qb4 h SER 90 Ca 0.56 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1qb4 h SER 90 Cb 1.14 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1qb4 h SER 90 CO -0.32 0.58 -1.20 2.30 -1.14 0.00 0.00 176.83 177.04 1qb4 n ILE 91 N -4.12 0.00 -2.17 3.27 -0.00 -0.61 0.27 119.36 116.00 1qb4 n ILE 91 Ca -0.01 -0.13 -0.42 0.00 -0.00 0.00 0.00 62.75 62.19 1qb4 n ILE 91 Cb 0.40 0.76 -0.03 0.00 -0.00 0.00 0.00 39.64 40.76 1qb4 n ILE 91 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1qb4 s SER 92 N -3.29 6.83 0.64 7.28 1.04 -0.74 -4.55 113.70 120.92 1qb4 s SER 92 Ca 0.04 2.37 0.34 0.00 0.48 0.00 0.00 55.95 59.18 1qb4 s SER 92 Cb 0.15 -2.59 1.86 0.00 0.10 0.00 0.00 66.02 65.53 1qb4 s SER 92 CO 0.84 -0.63 2.11 -0.65 0.98 0.00 0.00 173.24 175.89 1qb4 h PRO 93 N 6.32 0.00 -2.35 4.02 0.11 -1.92 -2.34 132.00 135.84 1qb4 h PRO 93 Ca -0.43 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.94 1qb4 h PRO 93 Cb 1.21 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.00 1qb4 h PRO 93 CO 0.84 0.00 0.45 1.63 -0.21 0.00 0.00 178.00 180.70 1qb4 n LYS 94 N -3.27 4.53 -0.44 1.05 4.01 -1.26 -4.71 118.16 118.06 1qb4 n LYS 94 Ca -0.01 -4.71 0.00 0.00 -0.51 0.00 0.00 58.31 53.09 1qb4 n LYS 94 Cb 0.29 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.41 1qb4 n LYS 94 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qb4 n GLY 95 N 0.15 1.07 0.22 0.72 0.00 -0.89 -5.00 105.19 101.46 1qb4 n GLY 95 Ca 0.39 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1qb4 n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qb4 h GLU 96 N 0.00 0.00 -6.30 1.61 4.39 -1.73 -3.47 114.58 109.09 1qb4 h GLU 96 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 1qb4 h GLU 96 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1qb4 h GLU 96 CO 0.00 0.00 -0.77 0.00 -1.16 0.00 0.00 179.01 177.08 1qb4 n ALA 97 N -1.87 -1.35 -0.60 3.43 0.00 -0.96 -4.90 120.51 114.25 1qb4 n ALA 97 Ca -0.02 0.16 0.48 0.00 0.00 0.00 0.00 53.44 54.06 1qb4 n ALA 97 Cb 0.06 -4.26 0.76 0.00 0.00 0.00 0.00 19.45 16.02 1qb4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qb4 h ALA 98 N 0.96 3.41 -0.74 0.00 0.00 -0.42 -1.92 119.26 120.55 1qb4 h ALA 98 Ca -0.58 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 1qb4 h ALA 98 Cb 1.38 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 1qb4 h ALA 98 CO 0.67 -2.04 0.30 -1.13 0.00 0.00 0.00 179.25 177.05 1qb4 n SER 99 N -4.30 4.53 -4.66 0.00 3.41 -1.26 -4.53 113.62 106.80 1qb4 n SER 99 Ca 0.43 -3.31 -0.43 0.00 -0.26 0.00 0.00 58.87 55.30 1qb4 n SER 99 Cb 1.82 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 1qb4 n SER 99 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1qb4 s ASN 100 N -1.20 7.07 0.00 4.04 3.04 -0.72 -4.91 114.94 122.26 1qb4 s ASN 100 Ca 0.55 1.33 0.00 0.00 0.04 0.00 0.00 52.86 54.78 1qb4 s ASN 100 Cb 0.44 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.63 1qb4 s ASN 100 CO 0.12 -0.61 0.10 -2.65 -3.04 0.00 0.00 177.10 171.02 1qb4 n PRO 101 N 6.08 0.00 0.17 0.43 -0.02 -1.26 -2.08 135.00 138.31 1qb4 n PRO 101 Ca 0.10 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1qb4 n PRO 101 Cb 0.47 -1.16 0.19 0.00 -0.02 0.00 0.00 33.50 32.98 1qb4 n PRO 101 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qb4 h GLU 102 N 0.00 0.00 -0.76 -0.52 4.22 -1.97 -2.87 114.58 112.68 1qb4 h GLU 102 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 1qb4 h GLU 102 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1qb4 h GLU 102 CO 0.00 0.41 0.36 0.28 -2.18 0.00 0.00 179.01 177.87 1qb4 h VAL 103 N 0.00 0.75 0.10 0.32 2.07 -1.80 1.47 116.25 119.16 1qb4 h VAL 103 Ca -0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1qb4 h VAL 103 Cb 1.13 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1qb4 h VAL 103 CO 0.05 0.10 -0.05 0.40 0.02 0.00 0.00 177.57 178.10 1qb4 h ILE 104 N 0.55 1.09 -0.88 4.57 1.08 -1.76 -3.27 117.51 118.88 1qb4 h ILE 104 Ca 0.40 -1.34 0.11 0.00 -0.39 0.00 0.00 64.86 63.64 1qb4 h ILE 104 Cb 0.53 1.86 -0.07 0.00 -3.07 0.00 0.00 36.82 36.08 1qb4 h ILE 104 CO -0.34 0.29 0.57 0.00 -0.69 0.00 0.00 178.15 177.98 1qb4 h ALA 105 N -0.12 1.68 -0.41 1.87 0.00 -1.12 0.11 119.26 121.27 1qb4 h ALA 105 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qb4 h ALA 105 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1qb4 h ALA 105 CO 0.02 0.13 0.26 0.07 0.00 0.00 0.00 179.25 179.73 1qb4 h ARG 106 N 0.84 0.55 0.24 0.00 -0.00 0.19 0.58 114.38 116.78 1qb4 h ARG 106 Ca 0.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 60.34 1qb4 h ARG 106 Cb 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 1qb4 h ARG 106 CO -0.18 0.39 -0.11 1.15 -0.00 0.00 0.00 179.97 181.21 1qb4 h THR 107 N 0.55 0.80 -0.02 0.08 2.02 -1.30 -1.85 112.91 113.20 1qb4 h THR 107 Ca 0.15 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1qb4 h THR 107 Cb -0.03 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1qb4 h THR 107 CO -0.03 0.05 -0.04 -0.07 0.37 0.00 0.00 175.52 175.79 1qb4 h LEU 108 N -0.42 0.03 -0.03 2.58 3.38 -0.33 -2.32 115.31 118.19 1qb4 h LEU 108 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1qb4 h LEU 108 Cb 0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qb4 h LEU 108 CO 0.05 0.07 -0.04 0.03 0.09 0.00 0.00 178.44 178.65 1qb4 h ARG 109 N 0.03 0.09 -0.57 1.13 3.08 0.57 -2.57 114.38 116.14 1qb4 h ARG 109 Ca 0.01 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1qb4 h ARG 109 Cb 0.09 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 1qb4 h ARG 109 CO 0.01 0.57 -0.50 -0.22 -1.07 0.00 0.00 179.97 178.75 1qb4 h LYS 110 N -0.38 -0.25 0.18 0.04 3.64 -0.93 -1.26 116.57 117.60 1qb4 h LYS 110 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1qb4 h LYS 110 Cb 0.55 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1qb4 h LYS 110 CO 0.01 -0.17 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.58 1qb4 h LEU 111 N -0.26 -1.07 -0.97 5.20 3.38 -1.44 -2.92 115.31 117.22 1qb4 h LEU 111 Ca 0.14 0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.52 1qb4 h LEU 111 Cb 0.56 0.38 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1qb4 h LEU 111 CO -0.69 -0.42 0.49 0.50 0.09 0.00 0.00 178.44 178.41 1qb4 h LYS 112 N -0.59 0.29 -2.42 1.13 3.64 -0.96 -1.87 116.57 115.78 1qb4 h LYS 112 Ca -0.02 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.67 1qb4 h LYS 112 Cb 0.56 -0.06 -0.37 0.00 -0.41 0.00 0.00 32.23 31.95 1qb4 h LYS 112 CO -0.15 0.19 -0.08 0.27 -2.27 0.00 0.00 179.45 177.41 1qb4 n ASN 113 N -5.10 4.88 -3.73 4.20 0.23 -0.54 -4.86 115.26 110.35 1qb4 n ASN 113 Ca 0.29 -3.48 -0.29 0.00 -0.53 0.00 0.00 54.58 50.58 1qb4 n ASN 113 Cb 0.91 -0.87 -0.16 0.00 -2.08 0.00 0.00 39.78 37.58 1qb4 n ASN 113 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1qb4 s GLN 114 N -2.80 0.67 0.64 -3.83 -1.52 -0.70 -4.92 119.66 107.19 1qb4 s GLN 114 Ca 0.38 -0.65 -0.18 0.00 -1.95 0.00 0.00 55.36 52.96 1qb4 s GLN 114 Cb 0.14 -2.01 -0.02 0.00 -0.22 0.00 0.00 33.01 30.89 1qb4 s GLN 114 CO 0.01 -0.78 1.09 -0.35 -0.25 0.00 0.00 175.29 175.01 1qb4 n PRO 115 N 4.99 0.90 -1.91 2.91 -0.04 -1.26 -2.81 135.00 137.78 1qb4 n PRO 115 Ca -0.07 0.36 -0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1qb4 n PRO 115 Cb 0.45 -2.32 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1qb4 n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qb4 n GLU 116 N -1.51 -0.57 -3.57 0.54 -0.58 -1.26 -4.99 120.64 108.70 1qb4 n GLU 116 Ca 0.15 0.45 -0.29 0.00 -0.42 0.00 0.00 57.16 57.05 1qb4 n GLU 116 Cb 0.48 -4.34 -0.13 0.00 -0.57 0.00 0.00 31.44 26.88 1qb4 n GLU 116 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1qb4 s LEU 117 N -2.00 1.48 0.41 -4.62 0.20 -1.12 -5.13 118.68 107.90 1qb4 s LEU 117 Ca 0.00 -2.06 -0.25 0.00 0.69 0.00 0.00 54.13 52.51 1qb4 s LEU 117 Cb 0.00 -0.60 -0.08 0.00 -0.43 0.00 0.00 46.19 45.07 1qb4 s LEU 117 CO 0.00 -0.34 1.26 -0.94 -0.29 0.00 0.00 176.35 176.04 1qb4 s SER 118 N 1.16 6.31 0.54 3.68 1.04 -1.26 -4.89 113.70 120.28 1qb4 s SER 118 Ca 0.15 2.55 0.21 0.00 0.48 0.00 0.00 55.95 59.34 1qb4 s SER 118 Cb -0.21 -2.63 1.40 0.00 0.10 0.00 0.00 66.02 64.68 1qb4 s SER 118 CO -0.09 -0.84 2.13 -0.33 0.98 0.00 0.00 173.24 175.09 1qb4 h GLU 119 N 2.58 0.00 -0.05 4.02 5.08 -1.98 0.20 114.58 124.43 1qb4 h GLU 119 Ca -0.49 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.72 1qb4 h GLU 119 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1qb4 h GLU 119 CO 0.62 0.00 -0.64 -0.44 -1.00 0.00 0.00 179.01 177.55 1qb4 h ASP 120 N 0.00 0.22 -0.55 1.42 5.19 -1.98 0.02 116.42 120.73 1qb4 h ASP 120 Ca 0.05 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1qb4 h ASP 120 Cb 0.22 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1qb4 h ASP 120 CO -0.00 0.80 0.29 0.74 -3.12 0.00 0.00 179.24 177.95 1qb4 h THR 121 N 0.13 1.19 0.07 0.35 2.02 -0.99 -1.57 112.91 114.11 1qb4 h THR 121 Ca -0.01 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1qb4 h THR 121 Cb 1.16 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1qb4 h THR 121 CO 0.10 0.20 -0.03 0.40 0.37 0.00 0.00 175.52 176.56 1qb4 h ILE 122 N 0.74 1.02 -0.77 3.11 2.04 -1.06 -2.76 117.51 119.82 1qb4 h ILE 122 Ca 0.19 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1qb4 h ILE 122 Cb 0.06 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1qb4 h ILE 122 CO -0.03 0.07 0.39 0.50 0.00 0.00 0.00 178.15 179.08 1qb4 h LYS 123 N -0.22 0.60 0.00 2.37 3.64 -0.75 -0.78 116.57 121.44 1qb4 h LYS 123 Ca -0.01 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1qb4 h LYS 123 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1qb4 h LYS 123 CO 0.01 0.40 -0.37 0.87 -2.27 0.00 0.00 179.45 178.09 1qb4 h LYS 124 N 0.62 0.00 -0.12 1.90 1.57 -1.22 -1.25 116.57 118.08 1qb4 h LYS 124 Ca 0.40 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.02 1qb4 h LYS 124 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1qb4 h LYS 124 CO -0.31 0.37 -0.59 0.00 -0.57 0.00 0.00 179.45 178.35 1qb4 h ALA 125 N 1.63 0.77 0.29 3.86 0.00 -0.96 -2.21 119.26 122.64 1qb4 h ALA 125 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1qb4 h ALA 125 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qb4 h ALA 125 CO 0.05 0.71 -0.14 0.28 0.00 0.00 0.00 179.25 180.15 1qb4 h VAL 126 N 0.28 0.75 0.00 0.00 2.07 -0.55 -2.77 116.25 116.04 1qb4 h VAL 126 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1qb4 h VAL 126 Cb 1.11 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1qb4 h VAL 126 CO 0.10 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.16 1qb4 n GLU 127 N -5.16 0.10 -0.14 1.57 1.02 -0.53 -1.75 120.64 115.74 1qb4 n GLU 127 Ca -0.10 0.58 0.05 0.00 -0.02 0.00 0.00 57.16 57.67 1qb4 n GLU 127 Cb 0.23 -1.80 0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1qb4 n GLU 127 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1qb4 n SER 128 N -2.01 2.74 -4.64 1.62 3.41 -0.84 -5.04 113.62 108.88 1qb4 n SER 128 Ca -0.01 -1.98 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 1qb4 n SER 128 Cb 0.03 -0.19 0.09 0.00 -0.26 0.00 0.00 64.21 63.89 1qb4 n SER 128 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qb4 n LEU 129 N 0.35 3.97 -3.52 1.04 7.99 -0.72 -4.89 117.00 121.22 1qb4 n LEU 129 Ca 0.10 0.68 -0.00 0.00 -0.01 0.00 0.00 56.01 56.77 1qb4 n LEU 129 Cb 0.39 -1.44 -0.04 0.00 -0.11 0.00 0.00 43.42 42.22 1qb4 n LEU 129 CO 0.07 -1.85 0.48 -0.55 -1.51 0.00 0.00 177.39 174.02 1qb4 s SER 130 N -1.66 -0.80 -0.01 -1.43 0.15 -1.26 -4.76 113.70 103.93 1qb4 s SER 130 Ca 0.75 1.11 0.06 0.00 0.70 0.00 0.00 55.95 58.57 1qb4 s SER 130 Cb -0.34 1.84 -0.01 0.00 -1.71 0.00 0.00 66.02 65.79 1qb4 s SER 130 CO 0.49 -0.16 -0.18 -0.76 1.20 0.00 0.00 173.24 173.83 1qb4 s LEU 131 N 2.48 2.04 -0.18 3.45 1.02 0.27 -1.29 118.68 126.47 1qb4 s LEU 131 Ca -0.05 -0.33 -0.05 0.00 0.02 0.00 0.00 54.13 53.72 1qb4 s LEU 131 Cb -0.08 -0.95 0.07 0.00 0.02 0.00 0.00 46.19 45.25 1qb4 s LEU 131 CO -0.18 0.23 0.14 -0.70 0.02 0.00 0.00 176.35 175.85 1qb4 s GLU 132 N -0.43 0.10 -0.23 1.70 2.12 -0.15 -2.16 118.70 119.65 1qb4 s GLU 132 Ca 0.07 0.04 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 1qb4 s GLU 132 Cb -0.07 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.73 1qb4 s GLU 132 CO -0.01 -0.65 0.07 -0.51 -0.54 0.00 0.00 175.26 173.63 1qb4 s LEU 133 N 2.21 3.57 -0.38 2.70 2.01 -0.80 -2.88 118.68 125.11 1qb4 s LEU 133 Ca 0.04 -0.11 -0.14 0.00 0.01 0.00 0.00 54.13 53.92 1qb4 s LEU 133 Cb -0.16 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.10 1qb4 s LEU 133 CO -0.10 0.03 0.29 -0.69 1.01 0.00 0.00 176.35 176.89 1qb4 s VAL 134 N 1.25 5.25 0.36 -1.59 1.01 -0.36 -1.09 120.40 125.23 1qb4 s VAL 134 Ca 0.05 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1qb4 s VAL 134 Cb -0.14 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1qb4 s VAL 134 CO 0.04 -0.20 1.03 -0.76 0.00 0.00 0.00 175.10 175.21 1qb4 s LEU 135 N 1.75 4.24 0.17 3.92 1.43 0.22 -1.62 118.68 128.80 1qb4 s LEU 135 Ca 0.06 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.27 1qb4 s LEU 135 Cb -0.18 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1qb4 s LEU 135 CO 0.11 -0.35 -0.17 -0.89 0.23 0.00 0.00 176.35 175.28 1qb4 s THR 136 N -1.58 1.72 0.75 5.49 2.01 -1.21 -1.37 115.64 121.45 1qb4 s THR 136 Ca 0.54 -1.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.47 1qb4 s THR 136 Cb -0.23 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.49 1qb4 s THR 136 CO 0.29 -0.40 1.10 0.00 -0.69 0.00 0.00 174.62 174.92 1qb4 s ALA 137 N -2.29 2.26 -0.27 7.40 0.00 -1.26 -3.95 121.76 123.65 1qb4 s ALA 137 Ca 0.16 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1qb4 s ALA 137 Cb -0.04 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1qb4 s ALA 137 CO 0.06 -1.70 0.55 -1.58 0.00 0.00 0.00 175.76 173.09 1qb4 s HIS 138 N -2.75 3.25 0.29 0.00 2.46 -1.26 -3.41 115.29 113.88 1qb4 s HIS 138 Ca 0.63 0.62 0.22 0.00 0.47 0.00 0.00 55.06 57.00 1qb4 s HIS 138 Cb -0.18 -2.80 1.04 0.00 -0.13 0.00 0.00 32.58 30.50 1qb4 s HIS 138 CO 0.53 -0.34 1.90 -1.35 -2.47 0.00 0.00 174.74 173.00 1qb4 h PRO 139 N 8.06 0.00 -1.36 2.88 0.11 -1.91 -3.29 132.00 136.49 1qb4 h PRO 139 Ca -0.28 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.27 1qb4 h PRO 139 Cb 1.13 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.82 1qb4 h PRO 139 CO 0.74 0.24 -0.79 0.25 -0.21 0.00 0.00 178.00 178.24 1qb4 n THR 140 N -3.65 2.25 -2.79 -1.15 -2.24 -1.26 -3.96 114.28 101.48 1qb4 n THR 140 Ca -0.01 -4.65 -0.43 0.00 -2.27 0.00 0.00 64.05 56.69 1qb4 n THR 140 Cb 0.37 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 1qb4 n THR 140 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1qb4 s GLU 141 N -3.51 3.41 0.22 -0.78 2.56 -1.24 -4.71 118.70 114.65 1qb4 s GLU 141 Ca 0.46 -0.08 0.21 0.00 0.00 0.00 0.00 54.97 55.57 1qb4 s GLU 141 Cb 0.41 -4.01 0.03 0.00 2.00 0.00 0.00 34.13 32.55 1qb4 s GLU 141 CO -0.14 -1.45 1.12 0.97 -0.56 0.00 0.00 175.26 175.20 1qb4 h ILE 142 N 6.06 0.14 -1.71 -3.70 2.10 -1.93 -3.48 117.51 114.99 1qb4 h ILE 142 Ca -0.25 -1.24 -0.46 0.00 1.08 0.00 0.00 64.86 63.98 1qb4 h ILE 142 Cb 1.07 1.72 0.05 0.00 -1.09 0.00 0.00 36.82 38.58 1qb4 h ILE 142 CO 1.09 0.08 -0.03 0.42 -1.08 0.00 0.00 178.15 178.63 1qb4 s THR 143 N -3.24 2.34 -1.08 2.19 -4.23 -1.26 -0.70 115.64 109.65 1qb4 s THR 143 Ca 0.01 -0.78 0.16 0.00 -1.18 0.00 0.00 61.69 59.90 1qb4 s THR 143 Cb 0.09 -2.56 -0.11 0.00 1.34 0.00 0.00 72.50 71.26 1qb4 s THR 143 CO 0.77 0.00 0.77 -2.11 -0.54 0.00 0.00 174.62 173.51 1qb4 n ARG 144 N -2.45 1.65 -4.31 3.99 1.85 -1.26 -4.47 116.66 111.67 1qb4 n ARG 144 Ca 0.13 -0.34 -0.20 0.00 -1.00 0.00 0.00 57.85 56.45 1qb4 n ARG 144 Cb 0.61 -1.28 -0.13 0.00 -1.05 0.00 0.00 32.46 30.61 1qb4 n ARG 144 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1qb4 s ARG 145 N -2.30 0.90 0.27 2.89 6.06 -1.26 -5.10 118.95 120.41 1qb4 s ARG 145 Ca 0.09 -0.80 -0.29 0.00 -2.50 0.00 0.00 55.73 52.23 1qb4 s ARG 145 Cb 0.13 -0.91 -0.10 0.00 0.06 0.00 0.00 34.95 34.13 1qb4 s ARG 145 CO 0.57 0.22 1.33 0.95 -2.50 0.00 0.00 175.30 175.87 1qb4 s THR 146 N -0.94 2.87 -2.55 4.11 -4.23 -1.26 -4.94 115.64 108.70 1qb4 s THR 146 Ca 0.01 0.79 0.23 0.00 -1.18 0.00 0.00 61.69 61.54 1qb4 s THR 146 Cb -0.08 -3.51 0.39 0.00 1.34 0.00 0.00 72.50 70.64 1qb4 s THR 146 CO 0.01 0.15 1.41 0.18 -0.54 0.00 0.00 174.62 175.84 1qb4 n LEU 147 N 1.70 3.00 -0.07 4.79 4.77 -1.26 -4.67 117.00 125.26 1qb4 n LEU 147 Ca 0.03 -1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 54.76 1qb4 n LEU 147 Cb 0.42 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1qb4 n LEU 147 CO 0.59 0.61 0.50 0.40 -1.33 0.00 0.00 177.39 178.16 1qb4 h ILE 148 N 4.07 0.00 -1.07 -0.08 1.08 -1.94 -1.91 117.51 117.66 1qb4 h ILE 148 Ca 0.00 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.76 1qb4 h ILE 148 Cb 0.89 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.53 1qb4 h ILE 148 CO 0.00 0.00 0.68 1.12 -0.69 0.00 0.00 178.15 179.26 1qb4 h HIS 149 N -0.06 0.69 -0.54 1.37 2.07 -1.92 -1.26 115.15 115.50 1qb4 h HIS 149 Ca 0.03 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.51 1qb4 h HIS 149 Cb 0.13 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 29.89 1qb4 h HIS 149 CO -0.78 0.01 0.11 0.87 -3.07 0.00 0.00 177.93 175.07 1qb4 h LYS 150 N 0.36 0.89 -0.80 5.12 1.79 -1.68 -2.71 116.57 119.54 1qb4 h LYS 150 Ca 0.64 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.94 1qb4 h LYS 150 Cb 1.65 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 32.14 1qb4 h LYS 150 CO -0.35 0.85 0.52 0.52 -1.08 0.00 0.00 179.45 179.91 1qb4 h MET 151 N 0.78 0.87 -0.67 3.15 2.86 -1.13 0.59 114.93 121.38 1qb4 h MET 151 Ca 0.17 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1qb4 h MET 151 Cb 0.38 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1qb4 h MET 151 CO 0.01 0.57 0.33 0.28 1.06 0.00 0.00 176.91 179.16 1qb4 h VAL 152 N 0.89 1.21 0.09 -2.22 2.07 -1.13 -2.51 116.25 114.66 1qb4 h VAL 152 Ca 0.34 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1qb4 h VAL 152 Cb 0.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1qb4 h VAL 152 CO -0.11 0.25 -0.04 -0.08 0.02 0.00 0.00 177.57 177.60 1qb4 h GLU 153 N 0.94 -0.12 -0.97 1.57 4.81 -0.99 -1.29 114.58 118.53 1qb4 h GLU 153 Ca 0.23 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.62 1qb4 h GLU 153 Cb 0.08 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 1qb4 h GLU 153 CO -0.03 0.36 0.61 0.28 -0.73 0.00 0.00 179.01 179.50 1qb4 h VAL 154 N -0.68 0.83 -0.55 0.32 2.07 -0.81 0.13 116.25 117.56 1qb4 h VAL 154 Ca -0.01 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1qb4 h VAL 154 Cb 0.54 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1qb4 h VAL 154 CO 0.02 0.15 0.01 -1.13 0.02 0.00 0.00 177.57 176.64 1qb4 h ASN 155 N 0.84 0.90 -0.40 0.57 -1.24 -1.47 -2.09 115.58 112.69 1qb4 h ASN 155 Ca 0.51 -0.24 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 1qb4 h ASN 155 Cb 0.68 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1qb4 h ASN 155 CO -0.28 0.96 -0.01 0.00 -1.29 0.00 0.00 177.43 176.81 1qb4 h ALA 156 N 1.13 0.54 -0.91 1.57 0.00 0.43 -1.30 119.26 120.72 1qb4 h ALA 156 Ca 0.16 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qb4 h ALA 156 Cb 0.50 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1qb4 h ALA 156 CO 0.02 0.34 0.60 0.00 0.00 0.00 0.00 179.25 180.21 1qb4 h LEU 158 N 1.18 0.56 0.20 0.00 3.38 -1.13 -1.69 115.31 117.82 1qb4 h LEU 158 Ca 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qb4 h LEU 158 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1qb4 h LEU 158 CO -0.10 0.82 -0.18 0.50 0.09 0.00 0.00 178.44 179.57 1qb4 h LYS 159 N 0.48 -0.38 -0.56 1.13 3.64 -0.47 -2.62 116.57 117.79 1qb4 h LYS 159 Ca 0.06 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1qb4 h LYS 159 Cb 0.73 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1qb4 h LYS 159 CO 0.06 -0.25 0.21 1.96 -2.27 0.00 0.00 179.45 179.15 1qb4 h GLN 160 N -0.40 0.81 0.00 1.90 4.20 -1.02 -1.68 115.11 118.92 1qb4 h GLN 160 Ca -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1qb4 h GLN 160 Cb 0.36 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1qb4 h GLN 160 CO -0.03 0.67 0.00 1.28 -0.67 0.00 0.00 178.83 180.08 1qb4 n LEU 161 N -4.33 0.29 0.19 1.46 4.77 -0.66 -2.21 117.00 116.51 1qb4 n LEU 161 Ca 0.05 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 1qb4 n LEU 161 Cb 0.17 -0.53 0.42 0.00 -2.33 0.00 0.00 43.42 41.14 1qb4 n LEU 161 CO 0.39 -0.39 0.88 -0.78 -1.33 0.00 0.00 177.39 176.16 1qb4 h ASP 162 N 0.00 0.00 -2.78 -1.43 3.58 -0.92 -3.44 116.42 111.43 1qb4 h ASP 162 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 1qb4 h ASP 162 Cb 0.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1qb4 h ASP 162 CO 0.00 0.00 0.95 0.21 -2.88 0.00 0.00 179.24 177.52 1qb4 s ASN 163 N -5.28 6.77 0.96 2.28 3.04 -0.94 -4.99 114.94 116.78 1qb4 s ASN 163 Ca 0.06 2.14 -0.13 0.00 0.04 0.00 0.00 52.86 54.97 1qb4 s ASN 163 Cb 0.09 -2.55 0.17 0.00 -1.54 0.00 0.00 41.25 37.42 1qb4 s ASN 163 CO 0.57 -0.82 1.13 -1.59 -3.04 0.00 0.00 177.10 173.35 1qb4 s LYS 164 N 3.16 0.70 -1.86 0.43 0.00 -1.26 -3.27 119.74 117.64 1qb4 s LYS 164 Ca 0.67 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.95 1qb4 s LYS 164 Cb -0.32 -1.79 0.00 0.00 0.00 0.00 0.00 37.83 35.73 1qb4 s LYS 164 CO 0.27 -2.50 0.00 -0.25 0.00 0.00 0.00 175.35 172.87 1qb4 n ASP 165 N -3.98 -5.52 -4.69 0.03 8.00 -1.26 -4.90 116.55 104.23 1qb4 n ASP 165 Ca 0.07 0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.37 1qb4 n ASP 165 Cb 0.59 -4.71 -0.06 0.00 -0.02 0.00 0.00 41.12 36.92 1qb4 n ASP 165 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1qb4 s ILE 166 N -2.88 5.08 0.19 0.53 -4.36 -1.20 -4.98 121.20 113.59 1qb4 s ILE 166 Ca 0.00 1.20 -0.32 0.00 -0.26 0.00 0.00 60.65 61.26 1qb4 s ILE 166 Cb 0.00 -3.94 -0.15 0.00 1.25 0.00 0.00 42.46 39.63 1qb4 s ILE 166 CO 0.00 0.21 1.30 0.00 0.24 0.00 0.00 174.94 176.69 1qb4 n ALA 167 N 4.28 0.11 -0.33 2.27 0.00 -1.26 -4.73 120.51 120.85 1qb4 n ALA 167 Ca -0.03 0.44 0.29 0.00 0.00 0.00 0.00 53.44 54.14 1qb4 n ALA 167 Cb 0.51 -2.15 0.62 0.00 0.00 0.00 0.00 19.45 18.42 1qb4 n ALA 167 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1qb4 h ASP 168 N 3.92 0.25 -0.21 0.00 3.04 -1.99 0.22 116.42 121.65 1qb4 h ASP 168 Ca -0.44 0.05 -0.14 0.00 -3.24 0.00 0.00 57.03 53.26 1qb4 h ASP 168 Cb 1.31 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.60 1qb4 h ASP 168 CO 0.74 0.03 -0.36 0.10 -2.04 0.00 0.00 179.24 177.71 1qb4 h TYR 169 N 0.21 0.87 -0.35 4.15 -0.00 -1.99 -0.90 116.97 118.97 1qb4 h TYR 169 Ca 0.59 -0.25 -0.03 0.00 0.00 0.00 0.00 58.73 59.05 1qb4 h TYR 169 Cb 1.87 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 38.39 1qb4 h TYR 169 CO -0.00 0.99 0.11 0.93 -0.00 0.00 0.00 178.16 180.19 1qb4 h GLU 170 N 0.61 0.54 -0.72 0.10 5.08 -0.94 -1.45 114.58 117.80 1qb4 h GLU 170 Ca 0.06 -0.12 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1qb4 h GLU 170 Cb 0.90 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1qb4 h GLU 170 CO 0.08 0.56 0.35 1.25 -1.00 0.00 0.00 179.01 180.26 1qb4 h HIS 171 N 0.41 0.63 -0.57 4.33 2.76 -1.12 0.01 115.15 121.60 1qb4 h HIS 171 Ca 0.11 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1qb4 h HIS 171 Cb 0.25 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1qb4 h HIS 171 CO 0.01 0.21 0.19 -0.97 -1.30 0.00 0.00 177.93 176.07 1qb4 h ASN 172 N 0.59 0.83 -0.20 3.26 -0.73 -0.89 -0.79 115.58 117.65 1qb4 h ASN 172 Ca 0.36 -0.20 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1qb4 h ASN 172 Cb 0.40 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1qb4 h ASN 172 CO -0.28 0.81 0.09 1.56 -0.37 0.00 0.00 177.43 179.23 1qb4 h GLN 173 N 0.80 0.30 0.15 6.67 4.20 -0.11 -1.14 115.11 125.99 1qb4 h GLN 173 Ca 0.19 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1qb4 h GLN 173 Cb 0.27 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1qb4 h GLN 173 CO -0.01 0.35 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.35 1qb4 h LEU 174 N 0.19 -0.20 -1.57 1.46 3.38 -0.98 -1.83 115.31 115.75 1qb4 h LEU 174 Ca 0.07 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1qb4 h LEU 174 Cb 0.15 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1qb4 h LEU 174 CO -0.01 -0.14 0.35 0.24 0.09 0.00 0.00 178.44 178.97 1qb4 h MET 175 N -0.22 0.54 -0.49 1.13 2.86 -1.05 -0.10 114.93 117.60 1qb4 h MET 175 Ca -0.02 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1qb4 h MET 175 Cb 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1qb4 h MET 175 CO 0.03 0.36 -0.03 -0.09 1.06 0.00 0.00 176.91 178.23 1qb4 h ARG 176 N 0.56 0.84 -0.10 1.72 2.43 -0.40 -1.05 114.38 118.38 1qb4 h ARG 176 Ca 0.21 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1qb4 h ARG 176 Cb 0.15 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1qb4 h ARG 176 CO -0.06 0.86 -0.26 -0.09 -1.51 0.00 0.00 179.97 178.92 1qb4 h ARG 177 N 0.77 0.36 -0.78 0.20 9.65 -0.79 -2.63 114.38 121.16 1qb4 h ARG 177 Ca 0.14 -0.25 0.17 0.00 -1.10 0.00 0.00 59.98 58.94 1qb4 h ARG 177 Cb 0.51 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.02 1qb4 h ARG 177 CO 0.03 0.86 0.27 1.25 2.80 0.00 0.00 179.97 185.17 1qb4 h LEU 178 N -0.08 0.17 -0.95 3.80 6.46 -0.75 0.23 115.31 124.19 1qb4 h LEU 178 Ca -0.00 0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 1qb4 h LEU 178 Cb 0.86 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1qb4 h LEU 178 CO 0.06 0.02 -0.13 -0.09 -0.62 0.00 0.00 178.44 177.68 1qb4 h ARG 179 N 0.36 0.62 0.70 1.25 2.43 -1.15 -0.78 114.38 117.81 1qb4 h ARG 179 Ca 0.45 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1qb4 h ARG 179 Cb 0.76 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1qb4 h ARG 179 CO -0.48 0.73 -0.34 0.37 -1.51 0.00 0.00 179.97 178.75 1qb4 h GLN 180 N 0.57 -0.90 -0.82 0.20 4.15 -0.31 0.05 115.11 118.05 1qb4 h GLN 180 Ca 0.10 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.71 1qb4 h GLN 180 Cb 0.55 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.36 1qb4 h GLN 180 CO 0.03 -0.58 0.43 -0.07 -1.93 0.00 0.00 178.83 176.71 1qb4 h LEU 181 N -1.01 0.53 -0.03 -2.39 4.07 -0.60 0.72 115.31 116.61 1qb4 h LEU 181 Ca -0.10 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1qb4 h LEU 181 Cb 0.74 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 1qb4 h LEU 181 CO 0.16 0.25 -0.02 0.40 -1.08 0.00 0.00 178.44 178.14 1qb4 h ILE 182 N 0.64 1.37 -0.46 1.22 1.08 -1.02 -3.03 117.51 117.31 1qb4 h ILE 182 Ca 0.44 -1.13 0.09 0.00 -0.39 0.00 0.00 64.86 63.87 1qb4 h ILE 182 Cb 0.57 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 36.30 1qb4 h ILE 182 CO -0.33 0.30 -0.15 0.00 -0.69 0.00 0.00 178.15 177.28 1qb4 h ALA 183 N 0.55 0.25 -0.76 1.87 0.00 -0.38 -0.56 119.26 120.23 1qb4 h ALA 183 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1qb4 h ALA 183 Cb 0.50 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1qb4 h ALA 183 CO 0.01 -0.48 -0.56 1.96 0.00 0.00 0.00 179.25 180.17 1qb4 h GLN 184 N -0.04 -0.15 -0.85 0.00 4.20 -0.79 -0.37 115.11 117.11 1qb4 h GLN 184 Ca 0.22 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.07 1qb4 h GLN 184 Cb 0.38 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1qb4 h GLN 184 CO -0.50 -0.10 0.55 0.77 -0.67 0.00 0.00 178.83 178.88 1qb4 h SER 185 N -0.16 0.65 0.25 1.46 0.02 -1.01 2.77 113.55 117.54 1qb4 h SER 185 Ca 0.14 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 1qb4 h SER 185 Cb 0.50 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1qb4 h SER 185 CO -0.80 0.36 -0.65 -0.25 -1.14 0.00 0.00 176.83 174.35 1qb4 h TRP 186 N 0.71 0.49 0.00 3.45 2.91 -0.45 -3.32 115.95 119.74 1qb4 h TRP 186 Ca 0.41 -0.20 -0.26 0.00 1.13 0.00 0.00 58.89 59.98 1qb4 h TRP 186 Cb 0.61 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 1qb4 h TRP 186 CO -0.00 0.91 -2.13 0.72 -1.03 0.00 0.00 178.44 176.91 1qb4 n HIS 187 N -3.87 0.21 -1.83 2.65 8.25 -0.43 -4.58 115.22 115.61 1qb4 n HIS 187 Ca -0.03 0.07 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 1qb4 n HIS 187 Cb 0.65 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 30.82 1qb4 n HIS 187 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1qb4 n THR 188 N -2.69 3.03 -3.68 1.59 -1.04 0.92 -4.90 114.28 107.51 1qb4 n THR 188 Ca -0.23 -2.83 -0.36 0.00 -2.04 0.00 0.00 64.05 58.59 1qb4 n THR 188 Cb 0.98 -2.44 -0.07 0.00 -1.82 0.00 0.00 70.33 66.99 1qb4 n THR 188 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1qb4 s ASP 189 N 4.20 6.36 0.01 8.00 3.84 -1.26 -4.81 116.67 133.02 1qb4 s ASP 189 Ca 0.53 0.42 0.04 0.00 -0.00 0.00 0.00 52.55 53.55 1qb4 s ASP 189 Cb 0.10 -2.13 -0.02 0.00 -1.38 0.00 0.00 42.92 39.50 1qb4 s ASP 189 CO 0.02 0.21 -0.13 -1.61 -0.00 0.00 0.00 175.17 173.65 1qb4 s GLU 190 N 0.02 0.99 -0.18 2.11 0.41 -1.26 -5.11 118.70 115.69 1qb4 s GLU 190 Ca 0.13 -0.61 -0.07 0.00 -0.41 0.00 0.00 54.97 54.02 1qb4 s GLU 190 Cb -0.12 -0.98 0.08 0.00 -1.78 0.00 0.00 34.13 31.33 1qb4 s GLU 190 CO 0.02 0.26 0.38 0.42 -0.49 0.00 0.00 175.26 175.85 1qb4 s ILE 191 N -0.57 -0.51 0.54 -1.63 -1.09 -1.26 -4.61 121.20 112.06 1qb4 s ILE 191 Ca 0.03 0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.42 1qb4 s ILE 191 Cb -0.06 -0.61 -0.06 0.00 -1.58 0.00 0.00 42.46 40.14 1qb4 s ILE 191 CO 0.00 0.08 1.14 0.54 -1.23 0.00 0.00 174.94 175.47 1qb4 n ARG 192 N 5.22 1.34 -0.08 2.79 1.74 0.12 -4.83 116.66 122.96 1qb4 n ARG 192 Ca -0.10 0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 57.39 1qb4 n ARG 192 Cb 0.50 -2.31 -0.12 0.00 -1.02 0.00 0.00 32.46 29.51 1qb4 n ARG 192 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qb4 n LYS 193 N -0.73 1.31 -4.38 5.56 4.01 -1.26 -4.98 118.16 117.69 1qb4 n LYS 193 Ca 0.11 0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.65 1qb4 n LYS 193 Cb 0.44 -1.41 -0.13 0.00 -0.51 0.00 0.00 35.03 33.43 1qb4 n LYS 193 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1qb4 s LEU 194 N -5.28 2.29 0.06 -0.35 1.43 -1.26 -4.85 118.68 110.72 1qb4 s LEU 194 Ca -0.10 -0.70 -0.37 0.00 -1.03 0.00 0.00 54.13 51.93 1qb4 s LEU 194 Cb 0.05 -1.06 -0.17 0.00 0.03 0.00 0.00 46.19 45.04 1qb4 s LEU 194 CO 0.63 0.13 1.31 -1.14 0.23 0.00 0.00 176.35 177.51 1qb4 n ARG 195 N 1.09 0.96 -0.81 1.70 0.63 -1.26 -4.92 116.66 114.05 1qb4 n ARG 195 Ca -0.19 0.35 -0.29 0.00 -0.92 0.00 0.00 57.85 56.80 1qb4 n ARG 195 Cb 0.53 -1.97 0.24 0.00 0.45 0.00 0.00 32.46 31.71 1qb4 n ARG 195 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1qb4 s PRO 196 N 0.50 -0.98 0.24 -0.14 0.04 -1.26 -5.00 135.00 128.40 1qb4 s PRO 196 Ca 0.86 0.43 0.10 0.00 0.04 0.00 0.00 61.00 62.42 1qb4 s PRO 196 Cb -1.01 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1qb4 s PRO 196 CO 0.49 -3.66 -0.18 -1.54 0.04 0.00 0.00 177.00 172.16 1qb4 s SER 197 N -3.17 3.08 0.52 6.66 1.04 -1.26 -4.26 113.70 116.32 1qb4 s SER 197 Ca 0.68 -1.01 0.33 0.00 0.48 0.00 0.00 55.95 56.43 1qb4 s SER 197 Cb -0.18 -0.22 1.48 0.00 0.10 0.00 0.00 66.02 67.20 1qb4 s SER 197 CO 0.60 -0.05 1.82 -0.65 0.98 0.00 0.00 173.24 175.93 1qb4 h PRO 198 N 2.49 0.05 -0.25 4.02 0.11 -1.89 0.31 132.00 136.84 1qb4 h PRO 198 Ca -0.40 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.52 1qb4 h PRO 198 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qb4 h PRO 198 CO 0.60 0.03 -0.59 0.28 -0.21 0.00 0.00 178.00 178.11 1qb4 h VAL 199 N 0.05 1.28 -0.06 3.15 2.07 -1.95 0.11 116.25 120.91 1qb4 h VAL 199 Ca 0.54 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1qb4 h VAL 199 Cb 2.05 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1qb4 h VAL 199 CO -0.04 0.58 0.04 0.44 0.02 0.00 0.00 177.57 178.60 1qb4 h ASP 200 N 0.62 0.07 -0.07 0.57 3.32 -0.82 0.38 116.42 120.49 1qb4 h ASP 200 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1qb4 h ASP 200 Cb 1.20 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1qb4 h ASP 200 CO 0.13 0.07 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.16 1qb4 h GLU 201 N 0.06 0.48 -0.29 3.56 5.08 -1.22 0.15 114.58 122.41 1qb4 h GLU 201 Ca 0.02 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1qb4 h GLU 201 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1qb4 h GLU 201 CO -0.00 0.68 -0.11 0.00 -1.00 0.00 0.00 179.01 178.57 1qb4 h ALA 202 N 1.33 1.28 -0.15 3.43 0.00 -0.10 -2.82 119.26 122.23 1qb4 h ALA 202 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1qb4 h ALA 202 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qb4 h ALA 202 CO 0.05 0.48 -0.39 0.87 0.00 0.00 0.00 179.25 180.26 1qb4 h LYS 203 N 0.45 0.32 -0.45 0.00 1.57 0.25 -2.78 116.57 115.93 1qb4 h LYS 203 Ca 0.09 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1qb4 h LYS 203 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1qb4 h LYS 203 CO 0.03 0.66 -0.01 2.35 -0.57 0.00 0.00 179.45 181.91 1qb4 h TRP 204 N 0.27 0.79 0.00 -1.35 7.01 -0.99 -1.27 115.95 120.41 1qb4 h TRP 204 Ca 0.03 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 60.85 1qb4 h TRP 204 Cb 0.81 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1qb4 h TRP 204 CO 0.02 0.74 -0.35 0.78 -2.79 0.00 0.00 178.44 176.84 1qb4 h GLY 205 N 0.96 0.00 1.50 2.65 0.00 -1.39 -0.74 103.07 106.05 1qb4 h GLY 205 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1qb4 h GLY 205 CO 0.02 0.00 -0.47 0.74 0.00 0.00 0.00 176.54 176.83 1qb4 h PHE 206 N 0.00 0.66 -0.82 5.60 0.05 -1.01 -0.70 116.94 120.72 1qb4 h PHE 206 Ca -0.00 -0.21 -0.01 0.00 3.82 0.00 0.00 57.97 61.57 1qb4 h PHE 206 Cb 0.62 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.39 1qb4 h PHE 206 CO 0.00 0.91 0.47 0.00 -0.18 0.00 0.00 178.31 179.52 1qb4 h ALA 207 N 1.05 1.05 -0.45 2.45 0.00 -0.59 0.35 119.26 123.11 1qb4 h ALA 207 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1qb4 h ALA 207 Cb 0.99 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qb4 h ALA 207 CO 0.09 0.53 -0.19 0.28 0.00 0.00 0.00 179.25 179.97 1qb4 h VAL 208 N 1.13 1.27 -0.33 0.00 2.07 -0.99 -0.77 116.25 118.64 1qb4 h VAL 208 Ca 0.29 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1qb4 h VAL 208 Cb -0.01 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1qb4 h VAL 208 CO -0.05 0.46 0.18 0.58 0.02 0.00 0.00 177.57 178.76 1qb4 h VAL 209 N 0.76 1.13 0.05 2.57 2.07 -0.33 -2.53 116.25 119.97 1qb4 h VAL 209 Ca 0.10 -0.35 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 1qb4 h VAL 209 Cb 0.75 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1qb4 h VAL 209 CO 0.06 0.14 -1.04 1.05 0.02 0.00 0.00 177.57 177.80 1qb4 h GLU 210 N 0.41 0.17 -0.00 1.57 4.11 -0.84 0.16 114.58 120.16 1qb4 h GLU 210 Ca 0.12 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1qb4 h GLU 210 Cb 0.06 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1qb4 h GLU 210 CO -0.02 1.06 -0.10 0.09 0.07 0.00 0.00 179.01 180.11 1qb4 n ASN 211 N -3.53 0.30 0.00 3.06 3.02 -0.30 -4.51 115.26 113.28 1qb4 n ASN 211 Ca -0.04 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1qb4 n ASN 211 Cb 0.92 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1qb4 n ASN 211 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qb4 n SER 212 N -1.14 0.00 -0.10 6.41 2.88 -0.98 -4.54 113.62 116.16 1qb4 n SER 212 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1qb4 n SER 212 Cb 0.28 0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 1qb4 n SER 212 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qb4 h LEU 213 N 0.00 0.97 -0.97 2.46 3.38 -1.20 0.64 115.31 120.59 1qb4 h LEU 213 Ca 0.00 -0.47 0.18 0.00 0.09 0.00 0.00 57.88 57.68 1qb4 h LEU 213 Cb 0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.37 1qb4 h LEU 213 CO 0.00 1.27 0.56 -0.25 0.09 0.00 0.00 178.44 180.11 1qb4 h TRP 214 N 0.71 0.99 0.09 1.13 2.91 -0.92 0.03 115.95 120.89 1qb4 h TRP 214 Ca 0.04 0.03 -0.35 0.00 1.13 0.00 0.00 58.89 59.75 1qb4 h TRP 214 Cb 1.05 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1qb4 h TRP 214 CO 0.06 0.22 -1.98 1.04 -1.03 0.00 0.00 178.44 176.75 1qb4 n GLN 215 N -4.80 0.72 -0.13 2.65 6.02 -1.20 -4.44 117.38 116.21 1qb4 n GLN 215 Ca 0.22 0.25 -0.06 0.00 -0.01 0.00 0.00 57.00 57.41 1qb4 n GLN 215 Cb 0.54 -1.71 0.03 0.00 1.02 0.00 0.00 30.24 30.12 1qb4 n GLN 215 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1qb4 h GLY 216 N 1.78 0.54 0.95 1.08 0.00 -0.47 -2.97 103.07 103.98 1qb4 h GLY 216 Ca -0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1qb4 h GLY 216 CO 0.07 0.07 -0.11 -2.08 0.00 0.00 0.00 176.54 174.49 1qb4 h VAL 217 N 0.37 0.79 -0.60 4.60 2.07 -1.21 -0.83 116.25 121.43 1qb4 h VAL 217 Ca 0.18 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1qb4 h VAL 217 Cb 0.12 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1qb4 h VAL 217 CO -0.15 0.03 0.40 -0.65 0.02 0.00 0.00 177.57 177.21 1qb4 h PRO 218 N -0.38 0.71 -0.41 1.57 0.11 -1.79 -0.08 132.00 131.74 1qb4 h PRO 218 Ca -0.03 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1qb4 h PRO 218 Cb 0.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1qb4 h PRO 218 CO 0.05 0.47 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.37 1qb4 h ASN 219 N 0.74 0.74 -0.32 -2.05 2.35 -1.31 -0.63 115.58 115.09 1qb4 h ASN 219 Ca 0.24 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1qb4 h ASN 219 Cb 0.03 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1qb4 h ASN 219 CO -0.06 0.90 0.09 0.22 -1.65 0.00 0.00 177.43 176.93 1qb4 h TYR 220 N 0.57 0.16 0.00 1.19 5.03 -0.25 -0.77 116.97 122.91 1qb4 h TYR 220 Ca 0.11 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1qb4 h TYR 220 Cb 0.54 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1qb4 h TYR 220 CO 0.04 0.06 -0.19 -0.07 -1.32 0.00 0.00 178.16 176.68 1qb4 h LEU 221 N 0.22 0.00 0.00 2.82 3.38 -0.61 -1.14 115.31 119.98 1qb4 h LEU 221 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1qb4 h LEU 221 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qb4 h LEU 221 CO -0.17 0.19 -0.25 -0.09 0.09 0.00 0.00 178.44 178.21 1qb4 h ARG 222 N 0.00 0.17 -0.05 1.13 2.43 0.26 -2.32 114.38 116.00 1qb4 h ARG 222 Ca -0.00 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1qb4 h ARG 222 Cb 0.40 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1qb4 h ARG 222 CO 0.03 0.93 -0.06 0.93 -1.51 0.00 0.00 179.97 180.29 1qb4 h GLU 223 N -0.52 -0.07 -0.97 0.20 4.39 -1.16 0.26 114.58 116.70 1qb4 h GLU 223 Ca -0.03 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.76 1qb4 h GLU 223 Cb 1.02 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 1qb4 h GLU 223 CO 0.05 -0.05 0.61 1.25 -1.16 0.00 0.00 179.01 179.71 1qb4 h LEU 224 N -0.08 0.95 -0.29 1.33 5.85 -1.30 0.81 115.31 122.58 1qb4 h LEU 224 Ca 0.04 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.60 1qb4 h LEU 224 Cb 0.13 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1qb4 h LEU 224 CO -0.09 0.57 -0.54 0.78 -0.34 0.00 0.00 178.44 178.82 1qb4 h ASN 225 N 1.06 0.97 -0.78 1.25 4.21 -0.78 -1.51 115.58 120.01 1qb4 h ASN 225 Ca 0.44 -0.53 -0.03 0.00 1.21 0.00 0.00 56.30 57.38 1qb4 h ASN 225 Cb 0.28 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 1qb4 h ASN 225 CO -0.21 1.32 0.36 -0.08 -1.29 0.00 0.00 177.43 177.53 1qb4 h GLU 226 N 0.66 1.14 -0.57 0.81 4.57 0.34 -2.83 114.58 118.70 1qb4 h GLU 226 Ca 0.01 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 57.91 1qb4 h GLU 226 Cb 1.15 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1qb4 h GLU 226 CO 0.12 0.90 -0.07 1.96 -1.18 0.00 0.00 179.01 180.74 1qb4 h GLN 227 N 1.11 1.05 -0.01 1.92 1.08 -0.73 -1.82 115.11 117.70 1qb4 h GLN 227 Ca 0.27 -0.37 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1qb4 h GLN 227 Cb 0.15 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1qb4 h GLN 227 CO -0.03 1.06 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.64 1qb4 h LEU 228 N 0.94 -0.60 -0.66 1.46 3.38 -1.05 0.22 115.31 118.99 1qb4 h LEU 228 Ca 0.15 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1qb4 h LEU 228 Cb 0.63 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1qb4 h LEU 228 CO 0.04 -0.27 0.14 -0.08 0.09 0.00 0.00 178.44 178.36 1qb4 h GLU 229 N -0.32 1.07 0.62 1.13 4.81 -1.15 0.87 114.58 121.61 1qb4 h GLU 229 Ca 0.06 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1qb4 h GLU 229 Cb 0.40 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1qb4 h GLU 229 CO -0.19 0.97 -0.30 1.49 -0.73 0.00 0.00 179.01 180.25 1qb4 h GLU 230 N 1.00 -0.81 -0.15 1.92 4.81 -1.11 -1.82 114.58 118.41 1qb4 h GLU 230 Ca 0.20 0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.28 1qb4 h GLU 230 Cb 0.40 0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1qb4 h GLU 230 CO 0.01 -0.54 -0.74 -0.91 -0.73 0.00 0.00 179.01 176.10 1qb4 h ASN 231 N -0.97 0.84 0.00 1.04 4.21 -0.97 -3.38 115.58 116.35 1qb4 h ASN 231 Ca -0.09 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 56.88 1qb4 h ASN 231 Cb 0.64 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1qb4 h ASN 231 CO 0.14 1.32 -1.60 0.18 -1.29 0.00 0.00 177.43 176.18 1qb4 n LEU 232 N -3.92 0.00 0.00 1.61 4.77 0.30 -5.03 117.00 114.72 1qb4 n LEU 232 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1qb4 n LEU 232 Cb 0.72 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1qb4 n LEU 232 CO 0.51 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1qb4 n GLY 233 N 1.79 1.05 3.48 -0.72 0.00 -0.69 -4.94 105.19 105.17 1qb4 n GLY 233 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1qb4 n GLY 233 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qb4 s TYR 234 N -2.00 -0.59 0.01 1.61 1.13 -1.25 -4.91 117.35 111.35 1qb4 s TYR 234 Ca 0.00 0.76 0.04 0.00 -1.41 0.00 0.00 57.07 56.46 1qb4 s TYR 234 Cb 0.00 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1qb4 s TYR 234 CO 0.00 -0.69 -0.08 0.15 -2.51 0.00 0.00 175.55 172.42 1qb4 s LYS 235 N -2.27 2.48 0.72 -3.49 1.02 -1.26 -1.91 119.74 115.03 1qb4 s LYS 235 Ca -0.05 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 1qb4 s LYS 235 Cb -0.00 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1qb4 s LYS 235 CO -0.00 0.59 1.18 -0.51 -0.92 0.00 0.00 175.35 175.69 1qb4 s LEU 236 N -1.45 3.30 0.58 3.17 1.43 -1.26 -4.96 118.68 119.49 1qb4 s LEU 236 Ca 0.17 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.34 1qb4 s LEU 236 Cb -0.11 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 1qb4 s LEU 236 CO 0.08 -2.14 1.09 -2.16 0.23 0.00 0.00 176.35 173.44 1qb4 s PRO 237 N -4.02 3.26 0.40 1.29 0.05 -1.26 -4.94 135.00 129.78 1qb4 s PRO 237 Ca 0.72 1.38 0.14 0.00 0.05 0.00 0.00 61.00 63.29 1qb4 s PRO 237 Cb -0.26 -2.01 0.99 0.00 0.05 0.00 0.00 34.50 33.26 1qb4 s PRO 237 CO 0.45 -0.88 1.86 0.28 0.05 0.00 0.00 177.00 178.76 1qb4 h VAL 238 N 0.70 0.73 0.00 -0.36 2.07 -2.05 -0.45 116.25 116.90 1qb4 h VAL 238 Ca -0.48 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1qb4 h VAL 238 Cb 1.24 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1qb4 h VAL 238 CO 0.57 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 1qb4 n GLU 239 N -4.54 0.40 -3.39 1.57 4.71 -1.26 -4.62 120.64 113.51 1qb4 n GLU 239 Ca 0.19 0.07 -0.45 0.00 -0.01 0.00 0.00 57.16 56.96 1qb4 n GLU 239 Cb 0.61 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.49 1qb4 n GLU 239 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1qb4 s PHE 240 N -2.40 3.41 -0.62 -0.32 5.36 -0.18 -5.01 117.98 118.22 1qb4 s PHE 240 Ca 0.23 -1.63 -0.08 0.00 -0.96 0.00 0.00 56.93 54.49 1qb4 s PHE 240 Cb 0.14 -3.71 0.16 0.00 -0.34 0.00 0.00 43.02 39.27 1qb4 s PHE 240 CO 0.29 -1.00 0.48 0.08 -1.46 0.00 0.00 175.22 173.61 1qb4 s VAL 241 N 1.17 4.34 -2.00 3.12 1.01 -1.26 -4.87 120.40 121.91 1qb4 s VAL 241 Ca 0.07 -2.42 0.06 0.00 0.00 0.00 0.00 61.98 59.70 1qb4 s VAL 241 Cb -0.25 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.52 1qb4 s VAL 241 CO -0.01 -0.88 0.94 -0.81 0.00 0.00 0.00 175.10 174.34 1qb4 n PRO 242 N 4.12 0.63 -4.47 2.72 -0.04 -1.26 -4.76 135.00 131.93 1qb4 n PRO 242 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1qb4 n PRO 242 Cb 0.41 -1.16 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1qb4 n PRO 242 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qb4 s VAL 243 N -2.00 2.55 -0.13 0.52 1.01 -1.26 -0.57 120.40 120.53 1qb4 s VAL 243 Ca 0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.45 1qb4 s VAL 243 Cb 0.04 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1qb4 s VAL 243 CO 0.08 0.17 0.33 -0.13 0.00 0.00 0.00 175.10 175.55 1qb4 s ARG 244 N -1.88 0.37 -0.01 2.72 1.81 -0.92 -4.40 118.95 116.63 1qb4 s ARG 244 Ca 0.15 0.49 0.02 0.00 -1.72 0.00 0.00 55.73 54.68 1qb4 s ARG 244 Cb -0.10 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 1qb4 s ARG 244 CO 0.07 -0.07 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.50 1qb4 s PHE 245 N 0.38 2.92 0.09 -0.53 0.40 -1.24 -1.90 117.98 118.10 1qb4 s PHE 245 Ca -0.02 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 1qb4 s PHE 245 Cb -0.04 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1qb4 s PHE 245 CO -0.02 0.37 -0.02 0.99 0.70 0.00 0.00 175.22 177.25 1qb4 s THR 246 N -0.96 0.39 0.04 0.64 2.01 -0.25 -3.34 115.64 114.17 1qb4 s THR 246 Ca 0.16 -1.89 0.02 0.00 0.31 0.00 0.00 61.69 60.29 1qb4 s THR 246 Cb -0.11 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1qb4 s THR 246 CO 0.06 -0.80 -0.07 -0.55 -0.69 0.00 0.00 174.62 172.58 1qb4 s SER 247 N -3.01 0.76 0.00 3.53 0.15 -0.23 0.73 113.70 115.62 1qb4 s SER 247 Ca 0.14 -0.61 0.19 0.00 0.70 0.00 0.00 55.95 56.37 1qb4 s SER 247 Cb 0.07 0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1qb4 s SER 247 CO -0.05 -0.27 1.05 0.79 1.20 0.00 0.00 173.24 175.97 1qb4 n TRP 248 N 1.27 0.00 -2.11 3.44 7.02 -0.47 -2.08 117.44 124.51 1qb4 n TRP 248 Ca -0.22 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.84 1qb4 n TRP 248 Cb 0.56 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.42 1qb4 n TRP 248 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1qb4 s MET 249 N -1.85 4.10 -0.11 -0.99 -1.94 -1.26 -1.18 119.30 116.08 1qb4 s MET 249 Ca 0.20 1.97 0.00 0.00 -1.71 0.00 0.00 55.69 56.15 1qb4 s MET 249 Cb 0.16 -3.96 0.00 0.00 2.01 0.00 0.00 34.83 33.04 1qb4 s MET 249 CO 0.34 -0.92 0.00 0.41 -0.01 0.00 0.00 175.02 174.84 1qb4 n GLY 250 N 4.15 0.49 0.00 -0.03 0.00 -1.26 -4.81 105.19 103.73 1qb4 n GLY 250 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1qb4 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb4 n GLY 251 N -2.51 0.00 3.56 -0.02 0.00 -0.58 -4.30 105.19 101.34 1qb4 n GLY 251 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1qb4 n GLY 251 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qb4 s ASP 252 N -2.64 6.43 0.00 1.61 3.68 -0.32 -1.61 116.67 123.81 1qb4 s ASP 252 Ca 0.00 0.06 0.06 0.00 2.13 0.00 0.00 52.55 54.80 1qb4 s ASP 252 Cb 0.00 -2.35 0.08 0.00 -1.45 0.00 0.00 42.92 39.20 1qb4 s ASP 252 CO 0.00 -0.71 0.82 -2.11 0.13 0.00 0.00 175.17 173.30 1qb4 n ARG 253 N 6.28 0.72 -1.49 4.34 0.00 -0.32 -4.82 116.66 121.37 1qb4 n ARG 253 Ca 0.00 -1.13 -0.53 0.00 -0.00 0.00 0.00 57.85 56.19 1qb4 n ARG 253 Cb 0.48 -1.13 -0.08 0.00 -0.00 0.00 0.00 32.46 31.74 1qb4 n ARG 253 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1qb4 n ASP 254 N 0.26 2.09 0.00 2.89 2.03 -0.56 0.07 116.55 123.34 1qb4 n ASP 254 Ca 0.04 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1qb4 n ASP 254 Cb 0.21 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1qb4 n ASP 254 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qb4 n GLY 255 N 6.09 0.82 3.00 0.27 0.00 -1.26 -4.98 105.19 109.14 1qb4 n GLY 255 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1qb4 n GLY 255 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qb4 s ASN 256 N -2.80 4.63 0.25 1.61 3.04 0.11 -4.87 114.94 116.90 1qb4 s ASN 256 Ca 0.00 -2.44 -0.04 0.00 0.04 0.00 0.00 52.86 50.42 1qb4 s ASN 256 Cb 0.00 -1.64 0.38 0.00 -1.54 0.00 0.00 41.25 38.45 1qb4 s ASN 256 CO 0.00 -0.33 1.86 -0.65 -3.04 0.00 0.00 177.10 174.93 1qb4 h PRO 257 N 7.25 1.00 0.00 0.43 0.11 -1.94 -1.53 132.00 137.31 1qb4 h PRO 257 Ca -0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1qb4 h PRO 257 Cb 0.98 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1qb4 h PRO 257 CO 0.58 0.66 0.06 0.09 -0.21 0.00 0.00 178.00 179.18 1qb4 n ASN 258 N -4.59 0.16 -4.33 -2.05 3.02 -1.26 -3.94 115.26 102.27 1qb4 n ASN 258 Ca 0.14 0.53 -0.47 0.00 -0.03 0.00 0.00 54.58 54.75 1qb4 n ASN 258 Cb 0.20 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1qb4 n ASN 258 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qb4 s VAL 259 N -3.08 5.58 0.49 2.41 1.01 -0.58 -4.81 120.40 121.43 1qb4 s VAL 259 Ca -0.01 -2.41 0.01 0.00 0.00 0.00 0.00 61.98 59.58 1qb4 s VAL 259 Cb 0.02 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1qb4 s VAL 259 CO 0.06 -1.03 0.71 0.42 0.00 0.00 0.00 175.10 175.26 1qb4 s THR 260 N 0.28 3.33 0.46 3.92 -4.23 -1.25 -4.78 115.64 113.36 1qb4 s THR 260 Ca 0.17 -0.60 0.12 0.00 -1.18 0.00 0.00 61.69 60.20 1qb4 s THR 260 Cb -0.11 -3.23 0.26 0.00 1.34 0.00 0.00 72.50 70.75 1qb4 s THR 260 CO -0.08 -0.16 2.09 0.00 -0.54 0.00 0.00 174.62 175.93 1qb4 h ALA 261 N 0.26 1.83 -0.22 3.99 0.00 -1.93 -1.18 119.26 122.01 1qb4 h ALA 261 Ca -0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1qb4 h ALA 261 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1qb4 h ALA 261 CO 0.54 0.15 0.07 -0.44 0.00 0.00 0.00 179.25 179.58 1qb4 h ASP 262 N 0.26 0.31 -0.52 0.00 3.32 -1.96 -1.31 116.42 116.52 1qb4 h ASP 262 Ca 0.07 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.97 1qb4 h ASP 262 Cb 0.01 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1qb4 h ASP 262 CO -0.01 0.42 0.27 0.40 -1.72 0.00 0.00 179.24 178.60 1qb4 h ILE 263 N 0.18 0.96 -0.73 0.35 1.08 -1.60 -0.98 117.51 116.77 1qb4 h ILE 263 Ca 0.07 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1qb4 h ILE 263 Cb 0.22 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 1qb4 h ILE 263 CO -0.00 0.10 0.38 0.74 -0.69 0.00 0.00 178.15 178.67 1qb4 h THR 264 N 0.52 1.23 -0.13 -0.27 2.02 -1.15 0.62 112.91 115.76 1qb4 h THR 264 Ca 0.23 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.84 1qb4 h THR 264 Cb 0.13 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1qb4 h THR 264 CO -0.16 0.26 -0.14 -0.09 0.37 0.00 0.00 175.52 175.77 1qb4 h ARG 265 N 1.02 -0.16 0.52 6.66 2.43 -0.68 0.26 114.38 124.44 1qb4 h ARG 265 Ca 0.26 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1qb4 h ARG 265 Cb 0.07 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1qb4 h ARG 265 CO -0.04 -0.11 -0.51 1.25 -1.51 0.00 0.00 179.97 179.06 1qb4 h HIS 266 N -0.16 -1.41 -0.59 2.20 2.76 -0.35 -1.72 115.15 115.87 1qb4 h HIS 266 Ca 0.09 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.37 1qb4 h HIS 266 Cb 0.30 0.55 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 1qb4 h HIS 266 CO -0.26 -0.68 0.39 0.28 -1.30 0.00 0.00 177.93 176.37 1qb4 h VAL 267 N -1.03 0.89 -0.63 5.26 2.07 0.39 0.14 116.25 123.35 1qb4 h VAL 267 Ca -0.07 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1qb4 h VAL 267 Cb 0.89 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1qb4 h VAL 267 CO -0.06 0.07 0.26 -0.07 0.02 0.00 0.00 177.57 177.79 1qb4 h LEU 268 N 0.39 0.83 0.13 2.57 3.38 0.39 -2.45 115.31 120.55 1qb4 h LEU 268 Ca 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1qb4 h LEU 268 Cb 0.55 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1qb4 h LEU 268 CO -0.07 0.74 -0.06 -0.07 0.09 0.00 0.00 178.44 179.06 1qb4 h LEU 269 N 0.90 -0.15 -0.83 1.67 3.38 -0.33 -3.12 115.31 116.84 1qb4 h LEU 269 Ca 0.21 -0.35 0.18 0.00 0.09 0.00 0.00 57.88 58.02 1qb4 h LEU 269 Cb 0.16 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1qb4 h LEU 269 CO -0.02 0.31 0.32 -0.07 0.09 0.00 0.00 178.44 179.07 1qb4 h LEU 270 N -0.65 0.26 -0.61 1.67 3.38 -1.24 0.35 115.31 118.46 1qb4 h LEU 270 Ca -0.02 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1qb4 h LEU 270 Cb 0.49 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1qb4 h LEU 270 CO 0.03 0.03 0.36 0.28 0.09 0.00 0.00 178.44 179.23 1qb4 h SER 271 N 0.40 0.57 -0.33 -0.43 0.02 -1.48 0.21 113.55 112.52 1qb4 h SER 271 Ca 0.49 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.39 1qb4 h SER 271 Cb 0.85 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1qb4 h SER 271 CO -0.49 0.39 0.02 0.03 -1.14 0.00 0.00 176.83 175.65 1qb4 h ARG 272 N 0.70 0.66 -0.03 3.45 3.08 -0.38 0.13 114.38 122.00 1qb4 h ARG 272 Ca 0.26 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1qb4 h ARG 272 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1qb4 h ARG 272 CO -0.13 0.67 0.01 2.35 -1.07 0.00 0.00 179.97 181.80 1qb4 h TRP 273 N 0.63 0.05 0.00 3.04 7.01 0.23 -2.65 115.95 124.26 1qb4 h TRP 273 Ca 0.13 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1qb4 h TRP 273 Cb 0.36 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1qb4 h TRP 273 CO 0.02 0.22 -0.14 -0.22 -2.79 0.00 0.00 178.44 175.52 1qb4 h LYS 274 N -0.13 0.00 -0.01 2.65 1.63 0.04 -1.91 116.57 118.84 1qb4 h LYS 274 Ca 0.01 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 1qb4 h LYS 274 Cb 0.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1qb4 h LYS 274 CO -0.00 0.14 -0.48 0.00 -3.45 0.00 0.00 179.45 175.66 1qb4 h ALA 275 N 1.86 1.18 -0.42 5.00 0.00 -0.78 -0.63 119.26 125.47 1qb4 h ALA 275 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1qb4 h ALA 275 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1qb4 h ALA 275 CO 0.02 0.61 -0.11 1.15 0.00 0.00 0.00 179.25 180.92 1qb4 h THR 276 N 0.02 1.27 0.69 0.00 2.02 -1.02 0.57 112.91 116.46 1qb4 h THR 276 Ca -0.00 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1qb4 h THR 276 Cb 0.86 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1qb4 h THR 276 CO 0.06 0.41 -0.39 -0.78 0.37 0.00 0.00 175.52 175.20 1qb4 h ASP 277 N 0.63 -0.95 -0.61 4.18 3.58 -0.93 -0.24 116.42 122.07 1qb4 h ASP 277 Ca 0.10 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1qb4 h ASP 277 Cb 0.64 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 1qb4 h ASP 277 CO 0.04 -0.61 0.29 -0.07 -2.88 0.00 0.00 179.24 176.01 1qb4 h LEU 278 N -0.99 0.81 -1.94 2.28 3.38 -1.10 -2.38 115.31 115.36 1qb4 h LEU 278 Ca -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1qb4 h LEU 278 Cb 0.78 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1qb4 h LEU 278 CO 0.12 0.72 -0.10 -0.26 0.09 0.00 0.00 178.44 179.01 1qb4 h PHE 279 N 0.84 0.00 -0.22 1.13 -1.00 0.19 -2.09 116.94 115.79 1qb4 h PHE 279 Ca 0.21 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 1qb4 h PHE 279 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1qb4 h PHE 279 CO 0.00 0.10 -0.03 1.25 -1.61 0.00 0.00 178.31 178.02 1qb4 h LEU 280 N 0.00 0.42 -1.26 1.54 5.85 -0.51 0.12 115.31 121.47 1qb4 h LEU 280 Ca -0.00 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1qb4 h LEU 280 Cb 0.20 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1qb4 h LEU 280 CO 0.01 0.66 0.55 0.11 -0.34 0.00 0.00 178.44 179.43 1qb4 h LYS 281 N 0.16 0.82 -0.09 1.25 1.57 -1.21 0.25 116.57 119.32 1qb4 h LYS 281 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1qb4 h LYS 281 Cb 0.47 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1qb4 h LYS 281 CO 0.02 0.54 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.89 1qb4 h ASP 282 N 0.84 0.24 -0.66 0.86 5.19 -1.09 -3.22 116.42 118.58 1qb4 h ASP 282 Ca 0.38 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1qb4 h ASP 282 Cb 0.37 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1qb4 h ASP 282 CO -0.15 0.70 0.43 0.40 -3.12 0.00 0.00 179.24 177.50 1qb4 h ILE 283 N -0.21 1.18 0.05 0.35 1.08 0.53 -2.56 117.51 117.93 1qb4 h ILE 283 Ca 0.01 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1qb4 h ILE 283 Cb 0.64 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1qb4 h ILE 283 CO 0.03 0.17 -0.14 1.56 -0.69 0.00 0.00 178.15 179.08 1qb4 h GLN 284 N 0.90 -0.26 -0.52 2.37 1.08 -0.59 0.12 115.11 118.22 1qb4 h GLN 284 Ca 0.24 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.56 1qb4 h GLN 284 Cb -0.08 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.30 1qb4 h GLN 284 CO -0.05 -0.17 -0.22 0.28 -0.95 0.00 0.00 178.83 177.72 1qb4 h VAL 285 N -0.27 0.33 -0.72 -0.54 2.07 -1.52 -1.17 116.25 114.43 1qb4 h VAL 285 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1qb4 h VAL 285 Cb 0.30 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1qb4 h VAL 285 CO -0.10 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.79 1qb4 h LEU 286 N -0.10 0.92 -1.31 2.57 3.38 -0.97 -0.78 115.31 119.03 1qb4 h LEU 286 Ca 0.24 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1qb4 h LEU 286 Cb 0.48 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1qb4 h LEU 286 CO -0.59 0.77 0.51 0.58 0.09 0.00 0.00 178.44 179.80 1qb4 h VAL 287 N 1.00 1.05 0.17 1.22 2.07 0.46 -0.89 116.25 121.33 1qb4 h VAL 287 Ca 0.25 -0.29 -0.34 0.00 0.82 0.00 0.00 66.70 67.14 1qb4 h VAL 287 Cb 0.07 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1qb4 h VAL 287 CO -0.04 0.16 -1.67 0.77 0.02 0.00 0.00 177.57 176.80 1qb4 h SER 288 N 0.85 0.57 1.76 0.57 4.64 -1.07 -3.37 113.55 117.50 1qb4 h SER 288 Ca 0.33 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1qb4 h SER 288 Cb 0.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1qb4 h SER 288 CO -0.11 1.68 0.00 -0.33 -0.87 0.00 0.00 176.83 177.20 1qb4 h GLU 289 N 0.10 0.00 -3.94 4.77 5.08 -1.00 -3.38 114.58 116.21 1qb4 h GLU 289 Ca -0.31 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.29 1qb4 h GLU 289 Cb 2.08 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 31.15 1qb4 h GLU 289 CO 0.18 0.00 1.55 1.28 -1.00 0.00 0.00 179.01 181.02 1qb4 n LEU 290 N -2.82 6.00 -0.99 1.33 4.77 -0.35 -4.62 117.00 120.31 1qb4 n LEU 290 Ca 0.04 -4.65 0.11 0.00 -0.03 0.00 0.00 56.01 51.48 1qb4 n LEU 290 Cb 0.48 -1.52 0.26 0.00 -2.33 0.00 0.00 43.42 40.32 1qb4 n LEU 290 CO 0.32 1.15 0.72 -1.20 -1.33 0.00 0.00 177.39 177.06 1qb4 n SER 291 N 4.25 2.95 -4.72 -1.43 7.64 -1.26 -3.28 113.62 117.77 1qb4 n SER 291 Ca 0.36 -1.93 -0.41 0.00 1.01 0.00 0.00 58.87 57.91 1qb4 n SER 291 Cb 0.39 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1qb4 n SER 291 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1qb4 n MET 292 N 1.15 2.08 0.00 1.43 2.81 -1.26 -4.91 117.12 118.42 1qb4 n MET 292 Ca 0.19 0.74 0.01 0.00 -1.81 0.00 0.00 57.70 56.82 1qb4 n MET 292 Cb 0.52 -2.48 -0.00 0.00 -0.71 0.00 0.00 33.22 30.54 1qb4 n MET 292 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qb4 n VAL 293 N -0.16 0.00 -2.78 2.03 0.31 -1.26 -4.47 118.33 112.00 1qb4 n VAL 293 Ca 0.06 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 1qb4 n VAL 293 Cb 0.40 1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 34.30 1qb4 n VAL 293 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1qb4 s GLU 294 N -0.91 4.20 0.18 5.55 8.01 -1.26 -4.87 118.70 129.60 1qb4 s GLU 294 Ca 0.01 1.12 -0.03 0.00 0.01 0.00 0.00 54.97 56.08 1qb4 s GLU 294 Cb 0.01 -3.65 -0.03 0.00 -4.31 0.00 0.00 34.13 26.14 1qb4 s GLU 294 CO 0.04 -0.60 0.15 0.00 0.01 0.00 0.00 175.26 174.86 1qb4 s ALA 295 N 3.06 0.88 0.38 5.21 0.00 -1.26 -4.85 121.76 125.17 1qb4 s ALA 295 Ca 0.39 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1qb4 s ALA 295 Cb -0.15 1.16 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 1qb4 s ALA 295 CO 0.07 -0.58 0.66 0.95 0.00 0.00 0.00 175.76 176.86 1qb4 s THR 296 N -4.10 4.97 0.13 0.00 -4.23 -1.26 -4.88 115.64 106.27 1qb4 s THR 296 Ca 0.31 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.59 1qb4 s THR 296 Cb 0.06 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.01 1qb4 s THR 296 CO 0.08 -0.56 1.56 -0.65 -0.54 0.00 0.00 174.62 174.50 1qb4 h PRO 297 N 0.98 -0.46 -0.53 3.99 0.11 -2.02 0.58 132.00 134.65 1qb4 h PRO 297 Ca -0.48 0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.76 1qb4 h PRO 297 Cb 1.20 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1qb4 h PRO 297 CO 0.63 -0.31 -0.32 0.93 -0.21 0.00 0.00 178.00 178.73 1qb4 h GLU 298 N -0.48 -0.17 -0.46 1.05 5.08 -1.99 0.34 114.58 117.96 1qb4 h GLU 298 Ca 0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1qb4 h GLU 298 Cb 0.64 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1qb4 h GLU 298 CO -0.51 -0.11 0.12 1.25 -1.00 0.00 0.00 179.01 178.76 1qb4 h LEU 299 N -0.18 0.69 -0.77 1.33 5.85 -1.53 -1.90 115.31 118.82 1qb4 h LEU 299 Ca 0.22 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1qb4 h LEU 299 Cb 0.54 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1qb4 h LEU 299 CO -0.63 0.74 0.49 -0.07 -0.34 0.00 0.00 178.44 178.63 1qb4 h LEU 300 N 0.61 0.82 -0.38 2.25 3.38 0.12 -1.85 115.31 120.26 1qb4 h LEU 300 Ca 0.14 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1qb4 h LEU 300 Cb 0.31 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1qb4 h LEU 300 CO 0.00 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1qb4 h ALA 301 N 1.32 0.35 0.00 1.53 0.00 -0.15 2.46 119.26 124.76 1qb4 h ALA 301 Ca 0.30 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1qb4 h ALA 301 Cb -0.01 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qb4 h ALA 301 CO -0.10 -0.39 0.12 1.28 0.00 0.00 0.00 179.25 180.16 1qb4 n LEU 302 N -5.18 0.49 0.00 0.00 7.99 -0.71 -2.55 117.00 117.04 1qb4 n LEU 302 Ca 0.02 0.69 0.00 0.00 -0.01 0.00 0.00 56.01 56.71 1qb4 n LEU 302 Cb 0.19 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 42.79 1qb4 n LEU 302 CO 0.20 -0.85 -0.50 0.52 -1.51 0.00 0.00 177.39 175.25 1qb4 n VAL 303 N -2.19 0.00 -2.91 4.08 0.31 -0.43 -5.10 118.33 112.09 1qb4 n VAL 303 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1qb4 n VAL 303 Cb 0.15 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1qb4 n VAL 303 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qb4 n GLY 304 N 3.27 0.00 0.61 2.92 0.00 0.82 -4.70 105.19 108.10 1qb4 n GLY 304 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1qb4 n GLY 304 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qb4 n GLU 305 N 1.51 -1.29 0.00 1.61 0.28 -1.26 -4.83 120.64 116.66 1qb4 n GLU 305 Ca 0.00 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 57.93 1qb4 n GLU 305 Cb 0.34 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.66 1qb4 n GLU 305 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1qb4 n GLU 306 N -3.00 0.00 -0.51 3.44 2.13 -1.26 -3.10 120.64 118.33 1qb4 n GLU 306 Ca -0.01 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.88 1qb4 n GLU 306 Cb 0.28 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.18 1qb4 n GLU 306 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qb4 n GLY 307 N 0.00 5.02 0.77 8.31 0.00 -1.26 -4.71 105.19 113.32 1qb4 n GLY 307 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.78 1qb4 n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qb4 n ALA 308 N -1.15 2.78 -0.01 4.61 0.00 -1.18 -2.72 120.51 122.83 1qb4 n ALA 308 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1qb4 n ALA 308 Cb 0.69 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1qb4 n ALA 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qb4 n ALA 309 N 0.20 2.00 -2.67 0.00 0.00 -1.26 -4.69 120.51 114.09 1qb4 n ALA 309 Ca 0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 53.44 52.50 1qb4 n ALA 309 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.98 1qb4 n ALA 309 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qb4 n GLU 310 N -0.48 0.23 0.43 0.00 2.13 -1.16 -4.99 120.64 116.81 1qb4 n GLU 310 Ca 0.00 -0.84 -0.19 0.00 0.66 0.00 0.00 57.16 56.79 1qb4 n GLU 310 Cb 0.25 -0.30 -0.10 0.00 0.27 0.00 0.00 31.44 31.56 1qb4 n GLU 310 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1qb4 h PRO 311 N 2.60 -1.14 -0.70 5.31 0.13 -1.73 -0.66 132.00 135.80 1qb4 h PRO 311 Ca -0.27 0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1qb4 h PRO 311 Cb 1.20 0.26 -0.03 0.00 0.13 0.00 0.00 31.00 32.56 1qb4 h PRO 311 CO -0.04 -0.76 0.37 1.88 -0.23 0.00 0.00 178.00 179.22 1qb4 h TYR 312 N -1.19 0.95 -0.60 1.56 -1.99 -1.82 -1.73 116.97 112.16 1qb4 h TYR 312 Ca -0.11 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 1qb4 h TYR 312 Cb 0.95 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 39.34 1qb4 h TYR 312 CO -0.09 0.67 0.15 -0.09 -0.00 0.00 0.00 178.16 178.80 1qb4 h ARG 313 N 0.98 0.93 0.44 4.88 2.43 -1.53 -1.64 114.38 120.87 1qb4 h ARG 313 Ca 0.25 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1qb4 h ARG 313 Cb 0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1qb4 h ARG 313 CO -0.04 0.83 -0.46 -0.92 -1.51 0.00 0.00 179.97 177.87 1qb4 h TYR 314 N 0.90 -1.27 -0.19 2.20 -0.00 -0.18 0.16 116.97 118.58 1qb4 h TYR 314 Ca 0.19 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.96 1qb4 h TYR 314 Cb 0.32 0.49 -0.01 0.00 -0.00 0.00 0.00 36.73 37.53 1qb4 h TYR 314 CO 0.02 -0.62 0.13 -0.07 -0.00 0.00 0.00 178.16 177.62 1qb4 h LEU 315 N -0.92 0.11 -0.17 2.82 3.38 -1.42 0.12 115.31 119.23 1qb4 h LEU 315 Ca -0.05 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1qb4 h LEU 315 Cb 0.81 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1qb4 h LEU 315 CO -0.07 0.08 -0.56 0.24 0.09 0.00 0.00 178.44 178.21 1qb4 h MET 316 N 0.13 0.00 -0.03 1.13 2.86 -0.60 -2.82 114.93 115.60 1qb4 h MET 316 Ca 0.08 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.53 1qb4 h MET 316 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1qb4 h MET 316 CO -0.01 0.56 -0.80 0.87 1.06 0.00 0.00 176.91 178.59 1qb4 h LYS 317 N 0.00 0.29 -0.13 1.72 1.57 0.18 -1.87 116.57 118.33 1qb4 h LYS 317 Ca -0.01 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1qb4 h LYS 317 Cb 1.36 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1qb4 h LYS 317 CO 0.07 0.95 0.05 -0.91 -0.57 0.00 0.00 179.45 179.04 1qb4 h ASN 318 N 0.18 0.18 -0.86 0.86 2.35 -1.19 -2.77 115.58 114.33 1qb4 h ASN 318 Ca -0.04 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1qb4 h ASN 318 Cb 1.40 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.68 1qb4 h ASN 318 CO 0.13 0.30 0.50 0.25 -1.65 0.00 0.00 177.43 176.96 1qb4 h LEU 319 N 0.04 1.05 -0.94 1.61 6.46 -1.48 -2.06 115.31 119.99 1qb4 h LEU 319 Ca 0.04 -0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.82 1qb4 h LEU 319 Cb 0.18 -0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 39.77 1qb4 h LEU 319 CO -0.00 0.83 0.58 -0.09 -0.62 0.00 0.00 178.44 179.13 1qb4 h ARG 320 N 1.20 0.94 -0.20 1.25 2.43 -1.07 0.11 114.38 119.03 1qb4 h ARG 320 Ca 0.31 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1qb4 h ARG 320 Cb -0.01 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1qb4 h ARG 320 CO -0.05 0.62 -0.54 0.77 -1.51 0.00 0.00 179.97 179.26 1qb4 h SER 321 N 0.96 0.82 -0.65 -3.80 0.02 -1.26 -1.74 113.55 107.90 1qb4 h SER 321 Ca 0.45 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1qb4 h SER 321 Cb 0.37 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1qb4 h SER 321 CO -0.24 1.25 0.34 -0.09 -1.14 0.00 0.00 176.83 176.95 1qb4 h ARG 322 N 0.42 0.92 -0.24 3.45 2.43 -0.98 0.47 114.38 120.86 1qb4 h ARG 322 Ca -0.01 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1qb4 h ARG 322 Cb 1.16 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1qb4 h ARG 322 CO 0.12 0.71 -0.18 1.25 -1.51 0.00 0.00 179.97 180.36 1qb4 h LEU 323 N 0.89 0.57 -1.52 3.80 5.85 -0.82 -2.10 115.31 121.99 1qb4 h LEU 323 Ca 0.23 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1qb4 h LEU 323 Cb 0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1qb4 h LEU 323 CO -0.03 0.90 -0.14 0.24 -0.34 0.00 0.00 178.44 179.06 1qb4 h MET 324 N 0.25 0.13 0.29 1.25 2.86 -1.02 0.25 114.93 118.94 1qb4 h MET 324 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1qb4 h MET 324 Cb 0.71 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1qb4 h MET 324 CO 0.05 0.28 -0.14 0.00 1.06 0.00 0.00 176.91 178.16 1qb4 h ALA 325 N 1.73 -0.39 -0.64 6.32 0.00 0.09 -2.60 119.26 123.78 1qb4 h ALA 325 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1qb4 h ALA 325 Cb 0.33 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1qb4 h ALA 325 CO 0.02 -0.45 0.42 0.00 0.00 0.00 0.00 179.25 179.24 1qb4 h THR 326 N -0.92 1.09 -0.08 0.00 1.03 -1.19 -0.93 112.91 111.92 1qb4 h THR 326 Ca -0.04 -0.26 0.03 0.00 -0.01 0.00 0.00 66.41 66.13 1qb4 h THR 326 Cb 0.51 0.26 -0.04 0.00 -1.07 0.00 0.00 68.15 67.81 1qb4 h THR 326 CO 0.07 0.14 -0.15 -0.61 -0.01 0.00 0.00 175.52 174.96 1qb4 h GLN 327 N 0.76 -0.20 -0.63 0.00 4.15 -0.48 0.16 115.11 118.87 1qb4 h GLN 327 Ca 0.25 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.80 1qb4 h GLN 327 Cb 0.07 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.72 1qb4 h GLN 327 CO -0.07 -0.13 0.17 0.00 -1.93 0.00 0.00 178.83 176.87 1qb4 h ALA 328 N 0.81 0.79 0.25 3.38 0.00 -0.87 0.32 119.26 123.95 1qb4 h ALA 328 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1qb4 h ALA 328 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qb4 h ALA 328 CO -0.20 -0.27 -0.12 2.35 0.00 0.00 0.00 179.25 181.00 1qb4 h TRP 329 N 0.31 -0.32 -0.04 0.00 7.01 -0.53 -2.70 115.95 119.69 1qb4 h TRP 329 Ca 0.33 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.28 1qb4 h TRP 329 Cb 0.49 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1qb4 h TRP 329 CO -0.22 -0.11 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.07 1qb4 h LEU 330 N -0.47 0.06 -1.94 0.65 3.38 0.58 -0.85 115.31 116.72 1qb4 h LEU 330 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qb4 h LEU 330 Cb 0.35 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qb4 h LEU 330 CO 0.06 0.26 -0.12 -0.33 0.09 0.00 0.00 178.44 178.40 1qb4 h GLU 331 N 0.06 0.00 0.14 1.13 5.08 -0.80 0.39 114.58 120.59 1qb4 h GLU 331 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1qb4 h GLU 331 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1qb4 h GLU 331 CO 0.03 0.12 -0.07 0.00 -1.00 0.00 0.00 179.01 178.08 1qb4 h ALA 332 N 1.88 -0.19 -0.33 3.43 0.00 -0.85 -2.88 119.26 120.33 1qb4 h ALA 332 Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1qb4 h ALA 332 Cb 0.28 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1qb4 h ALA 332 CO 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 179.25 178.96 1qb4 h ARG 333 N -0.83 0.07 -0.99 0.00 2.47 -1.10 0.17 114.38 114.17 1qb4 h ARG 333 Ca -0.02 -0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.92 1qb4 h ARG 333 Cb 0.54 -0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.73 1qb4 h ARG 333 CO 0.03 0.05 0.58 -0.07 0.56 0.00 0.00 179.97 181.12 1qb4 h LEU 334 N 0.07 0.68 -0.81 3.04 3.38 -0.27 0.34 115.31 121.75 1qb4 h LEU 334 Ca 0.16 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1qb4 h LEU 334 Cb 0.22 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qb4 h LEU 334 CO -0.28 0.16 0.00 0.11 0.09 0.00 0.00 178.44 178.52 1qb4 h LYS 335 N 0.64 0.00 0.00 1.13 1.57 -0.48 -3.46 116.57 115.96 1qb4 h LYS 335 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1qb4 h LYS 335 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1qb4 h LYS 335 CO -0.44 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.85 1qb4 n GLY 336 N -0.06 0.96 3.85 3.86 0.00 0.12 -5.08 105.19 108.84 1qb4 n GLY 336 Ca 0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qb4 n GLY 336 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qb4 s GLU 337 N -0.72 3.63 -0.18 1.61 2.02 -0.88 -4.99 118.70 119.19 1qb4 s GLU 337 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 54.97 54.93 1qb4 s GLU 337 Cb 0.00 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1qb4 s GLU 337 CO 0.00 0.70 -0.01 -1.21 0.02 0.00 0.00 175.26 174.76 1qb4 s GLU 338 N -0.87 3.69 -0.21 1.61 8.01 -1.26 -3.76 118.70 125.90 1qb4 s GLU 338 Ca 0.16 -0.50 -0.17 0.00 0.01 0.00 0.00 54.97 54.48 1qb4 s GLU 338 Cb -0.13 -3.02 0.06 0.00 -4.31 0.00 0.00 34.13 26.73 1qb4 s GLU 338 CO 0.06 0.16 0.55 -0.48 0.01 0.00 0.00 175.26 175.55 1qb4 s LEU 339 N 0.61 -0.24 0.74 1.80 2.34 -1.26 -5.12 118.68 117.55 1qb4 s LEU 339 Ca -0.01 1.14 -0.17 0.00 0.06 0.00 0.00 54.13 55.15 1qb4 s LEU 339 Cb -0.14 1.87 -0.09 0.00 -0.56 0.00 0.00 46.19 47.27 1qb4 s LEU 339 CO 0.02 -0.20 0.04 -2.65 -1.06 0.00 0.00 176.35 172.50 1qb4 n PRO 340 N 3.28 0.11 -3.24 1.48 -0.02 -1.26 -4.93 135.00 130.42 1qb4 n PRO 340 Ca -0.16 0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 60.99 1qb4 n PRO 340 Cb 0.56 -1.41 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1qb4 n PRO 340 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1qb4 s LYS 341 N -2.15 4.31 0.69 -0.52 -2.85 -1.26 -5.05 119.74 112.91 1qb4 s LYS 341 Ca 0.57 0.65 -0.17 0.00 -1.00 0.00 0.00 55.97 56.02 1qb4 s LYS 341 Cb -0.34 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.06 1qb4 s LYS 341 CO 0.66 0.30 1.16 -2.30 0.10 0.00 0.00 175.35 175.27 1qb4 n PRO 342 N 3.05 0.79 -0.34 1.78 -0.02 -1.26 -4.88 135.00 134.11 1qb4 n PRO 342 Ca -0.07 0.33 0.21 0.00 -2.02 0.00 0.00 63.50 61.95 1qb4 n PRO 342 Cb 0.51 -2.40 0.45 0.00 -0.02 0.00 0.00 33.50 32.05 1qb4 n PRO 342 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1qb4 h GLU 343 N 0.10 0.46 -1.41 -0.52 9.09 -2.01 -1.21 114.58 119.09 1qb4 h GLU 343 Ca -0.49 -0.03 -0.70 0.00 0.05 0.00 0.00 59.36 58.20 1qb4 h GLU 343 Cb 1.34 -0.10 -0.31 0.00 -1.65 0.00 0.00 28.75 28.03 1qb4 h GLU 343 CO 0.50 0.31 0.67 0.41 0.05 0.00 0.00 179.01 180.95 1qb4 n GLY 344 N -1.38 5.80 3.73 1.06 0.00 -1.26 -4.99 105.19 108.14 1qb4 n GLY 344 Ca 0.27 -2.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1qb4 n GLY 344 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qb4 s LEU 345 N -3.88 4.41 -0.10 0.99 2.96 -0.46 -4.50 118.68 118.10 1qb4 s LEU 345 Ca 0.57 2.25 -0.19 0.00 -0.22 0.00 0.00 54.13 56.55 1qb4 s LEU 345 Cb 0.46 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1qb4 s LEU 345 CO -0.18 -0.49 0.52 -0.76 -1.32 0.00 0.00 176.35 174.11 1qb4 s LEU 346 N 0.33 4.30 0.00 -0.68 1.43 -1.26 -4.93 118.68 117.87 1qb4 s LEU 346 Ca 0.57 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1qb4 s LEU 346 Cb -0.34 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1qb4 s LEU 346 CO 0.34 0.01 0.00 0.35 0.23 0.00 0.00 176.35 177.28 1qb4 n THR 347 N 3.53 0.00 -4.37 5.49 -2.24 -1.26 -5.04 114.28 110.39 1qb4 n THR 347 Ca -0.06 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 1qb4 n THR 347 Cb 0.52 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 1qb4 n THR 347 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qb4 s GLN 348 N -0.81 1.39 0.38 -0.78 -1.52 -1.26 -4.87 119.66 112.18 1qb4 s GLN 348 Ca 0.00 -1.47 0.12 0.00 -1.95 0.00 0.00 55.36 52.06 1qb4 s GLN 348 Cb 0.00 -1.54 0.74 0.00 -0.22 0.00 0.00 33.01 31.98 1qb4 s GLN 348 CO 0.00 0.32 1.84 -0.91 -0.25 0.00 0.00 175.29 176.29 1qb4 h ASN 349 N 3.17 0.03 -0.70 5.90 -0.26 -1.94 -2.65 115.58 119.13 1qb4 h ASN 349 Ca -0.44 -0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.44 1qb4 h ASN 349 Cb 1.21 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 38.42 1qb4 h ASN 349 CO 0.50 0.37 0.48 -0.33 -1.06 0.00 0.00 177.43 177.39 1qb4 h GLU 350 N 0.03 0.32 -0.15 0.81 3.07 -1.98 0.14 114.58 116.83 1qb4 h GLU 350 Ca 0.00 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1qb4 h GLU 350 Cb 0.61 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1qb4 h GLU 350 CO 0.05 0.21 -0.33 0.93 -1.40 0.00 0.00 179.01 178.47 1qb4 h GLU 351 N 0.33 0.29 0.05 2.33 5.08 -1.90 -1.84 114.58 118.93 1qb4 h GLU 351 Ca 0.34 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 1qb4 h GLU 351 Cb 0.86 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1qb4 h GLU 351 CO -0.09 0.59 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.56 1qb4 h LEU 352 N 0.25 0.18 -0.21 1.33 4.07 -1.15 -3.41 115.31 116.37 1qb4 h LEU 352 Ca 0.03 -0.82 0.03 0.00 0.08 0.00 0.00 57.88 57.20 1qb4 h LEU 352 Cb 0.71 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 1qb4 h LEU 352 CO 0.05 1.37 -0.38 -0.25 -1.08 0.00 0.00 178.44 178.16 1qb4 h TRP 353 N -0.70 -1.15 -0.33 1.13 2.91 -0.81 -3.17 115.95 113.82 1qb4 h TRP 353 Ca -0.21 0.05 0.03 0.00 1.13 0.00 0.00 58.89 59.90 1qb4 h TRP 353 Cb 1.40 0.53 -0.04 0.00 -0.51 0.00 0.00 29.16 30.54 1qb4 h TRP 353 CO 0.17 -0.35 -0.20 0.39 -1.03 0.00 0.00 178.44 177.42 1qb4 n GLU 354 N -4.54 -0.15 -0.05 2.65 1.02 -0.69 0.54 120.64 119.43 1qb4 n GLU 354 Ca -0.03 1.03 -0.10 0.00 -0.02 0.00 0.00 57.16 58.04 1qb4 n GLU 354 Cb 0.24 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1qb4 n GLU 354 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1qb4 h PRO 355 N 0.00 0.28 -0.66 3.49 0.11 -1.79 -0.96 132.00 132.47 1qb4 h PRO 355 Ca 0.05 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.24 1qb4 h PRO 355 Cb 0.14 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 1qb4 h PRO 355 CO -0.31 0.22 0.26 -0.07 -0.21 0.00 0.00 178.00 177.89 1qb4 h LEU 356 N 0.27 0.28 -0.97 2.35 -0.00 -1.38 -0.39 115.31 115.46 1qb4 h LEU 356 Ca 0.08 0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.95 1qb4 h LEU 356 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 1qb4 h LEU 356 CO -0.02 0.15 -0.25 0.22 -0.00 0.00 0.00 178.44 178.54 1qb4 h TYR 357 N 0.45 0.49 -0.20 1.13 3.20 0.42 -2.54 116.97 119.93 1qb4 h TYR 357 Ca 0.34 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1qb4 h TYR 357 Cb 0.43 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1qb4 h TYR 357 CO -0.16 0.66 0.13 0.00 -1.64 0.00 0.00 178.16 177.15 1qb4 h ALA 358 N 1.34 0.25 -0.21 1.82 0.00 0.30 -1.97 119.26 120.79 1qb4 h ALA 358 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qb4 h ALA 358 Cb 0.66 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1qb4 h ALA 358 CO 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.04 1qb4 h TYR 360 N 0.07 -0.48 -0.19 0.00 3.20 -1.18 -1.25 116.97 117.14 1qb4 h TYR 360 Ca 0.10 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1qb4 h TYR 360 Cb 0.13 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1qb4 h TYR 360 CO -0.18 -0.30 -0.06 1.96 -1.64 0.00 0.00 178.16 177.94 1qb4 h GLN 361 N -0.06 -0.02 -0.16 1.82 4.20 -0.92 -1.17 115.11 118.81 1qb4 h GLN 361 Ca 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1qb4 h GLN 361 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1qb4 h GLN 361 CO -0.62 -0.01 0.03 0.77 -0.67 0.00 0.00 178.83 178.32 1qb4 h SER 362 N -0.02 0.25 -0.60 1.46 0.02 -1.02 -0.92 113.55 112.72 1qb4 h SER 362 Ca 0.10 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1qb4 h SER 362 Cb 0.16 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1qb4 h SER 362 CO -0.21 0.44 0.17 -0.07 -1.14 0.00 0.00 176.83 176.02 1qb4 h LEU 363 N 0.04 0.08 0.06 5.07 3.38 -1.10 1.25 115.31 124.10 1qb4 h LEU 363 Ca 0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1qb4 h LEU 363 Cb 0.30 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qb4 h LEU 363 CO 0.00 0.05 -0.03 1.56 0.09 0.00 0.00 178.44 180.12 1qb4 h GLN 364 N 0.31 -0.08 -0.45 1.13 1.08 -0.99 0.68 115.11 116.79 1qb4 h GLN 364 Ca 0.31 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.57 1qb4 h GLN 364 Cb 0.44 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1qb4 h GLN 364 CO -0.37 0.02 0.18 0.00 -0.95 0.00 0.00 178.83 177.71 1qb4 h ALA 365 N 0.78 0.56 -0.12 3.87 0.00 -0.28 -2.69 119.26 121.38 1qb4 h ALA 365 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qb4 h ALA 365 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qb4 h ALA 365 CO 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1qb4 n GLY 367 N 0.41 0.59 2.57 0.00 0.00 -1.01 -4.96 105.19 102.78 1qb4 n GLY 367 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1qb4 n GLY 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qb4 n MET 368 N -2.82 2.98 0.04 1.61 2.81 0.23 -4.76 117.12 117.22 1qb4 n MET 368 Ca 0.00 -3.74 -0.12 0.00 -1.81 0.00 0.00 57.70 52.04 1qb4 n MET 368 Cb 0.00 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.19 1qb4 n MET 368 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1qb4 h GLY 369 N 2.56 -0.54 0.34 3.03 0.00 -1.82 -1.87 103.07 104.77 1qb4 h GLY 369 Ca 0.50 0.41 0.20 0.00 0.00 0.00 0.00 47.33 48.44 1qb4 h GLY 369 CO 1.28 -0.23 0.59 -2.22 0.00 0.00 0.00 176.54 175.96 1qb4 h ILE 370 N -0.47 0.68 0.15 2.60 2.04 -1.94 0.13 117.51 120.69 1qb4 h ILE 370 Ca 0.07 -0.13 -0.29 0.00 1.00 0.00 0.00 64.86 65.51 1qb4 h ILE 370 Cb 0.57 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1qb4 h ILE 370 CO -0.30 0.07 -1.27 0.40 0.00 0.00 0.00 178.15 177.05 1qb4 h ILE 371 N 0.37 1.41 -0.04 -0.67 1.08 -1.76 -3.29 117.51 114.61 1qb4 h ILE 371 Ca 0.45 -2.83 -0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1qb4 h ILE 371 Cb 1.18 2.88 -0.00 0.00 -3.07 0.00 0.00 36.82 37.81 1qb4 h ILE 371 CO -0.16 0.84 0.01 0.00 -0.69 0.00 0.00 178.15 178.15 1qb4 h ALA 372 N 0.46 0.05 0.00 1.87 0.00 -0.35 -3.00 119.26 118.29 1qb4 h ALA 372 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qb4 h ALA 372 Cb 1.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1qb4 h ALA 372 CO 0.22 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.20 1qb4 n ASN 373 N -4.97 0.38 0.00 0.00 3.02 0.28 -2.92 115.26 111.04 1qb4 n ASN 373 Ca -0.07 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1qb4 n ASN 373 Cb 0.11 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1qb4 n ASN 373 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qb4 n GLY 374 N 0.18 0.88 0.32 7.41 0.00 -1.13 -4.72 105.19 108.13 1qb4 n GLY 374 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1qb4 n GLY 374 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qb4 h ASP 375 N 0.00 0.00 -0.02 1.61 3.32 -1.81 -2.60 116.42 116.93 1qb4 h ASP 375 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1qb4 h ASP 375 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qb4 h ASP 375 CO 0.00 0.01 -0.01 0.25 -1.72 0.00 0.00 179.24 177.77 1qb4 h LEU 376 N 0.00 0.04 -0.59 1.55 5.85 -1.78 -2.40 115.31 117.98 1qb4 h LEU 376 Ca -0.00 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.38 1qb4 h LEU 376 Cb 0.06 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1qb4 h LEU 376 CO 0.00 0.47 0.18 0.25 -0.34 0.00 0.00 178.44 179.00 1qb4 h LEU 377 N -0.39 0.12 -0.87 2.25 5.85 -1.35 0.28 115.31 121.21 1qb4 h LEU 377 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1qb4 h LEU 377 Cb 0.45 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1qb4 h LEU 377 CO 0.00 0.07 0.37 0.44 -0.34 0.00 0.00 178.44 178.99 1qb4 h ASP 378 N 0.33 1.08 0.19 1.25 5.19 -1.46 -1.01 116.42 121.99 1qb4 h ASP 378 Ca 0.31 -0.14 -0.21 0.00 -0.62 0.00 0.00 57.03 56.36 1qb4 h ASP 378 Cb 0.41 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1qb4 h ASP 378 CO -0.35 0.93 -0.84 0.74 -3.12 0.00 0.00 179.24 176.60 1qb4 h THR 379 N 1.17 1.36 -0.11 0.35 2.02 -0.47 -2.26 112.91 114.97 1qb4 h THR 379 Ca 0.28 -2.22 0.04 0.00 0.77 0.00 0.00 66.41 65.28 1qb4 h THR 379 Cb 0.15 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 1qb4 h THR 379 CO -0.03 0.67 -0.21 -0.07 0.37 0.00 0.00 175.52 176.26 1qb4 h LEU 380 N 0.32 -0.63 -0.96 2.58 4.07 -0.15 -1.09 115.31 119.44 1qb4 h LEU 380 Ca -0.06 0.10 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 1qb4 h LEU 380 Cb 1.45 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 43.46 1qb4 h LEU 380 CO 0.15 -0.26 -0.33 0.03 -1.08 0.00 0.00 178.44 176.95 1qb4 h ARG 381 N -0.27 0.35 0.00 1.13 3.08 -1.22 -2.51 114.38 114.93 1qb4 h ARG 381 Ca 0.09 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1qb4 h ARG 381 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1qb4 h ARG 381 CO -0.27 0.64 -0.53 0.00 -1.07 0.00 0.00 179.97 178.75 1qb4 h ARG 382 N 0.31 0.00 0.12 0.04 3.08 -0.79 0.23 114.38 117.37 1qb4 h ARG 382 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1qb4 h ARG 382 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1qb4 h ARG 382 CO 0.06 0.53 -0.06 0.28 -1.07 0.00 0.00 179.97 179.70 1qb4 h VAL 383 N 0.00 0.93 -0.01 2.04 2.07 -0.76 0.38 116.25 120.90 1qb4 h VAL 383 Ca -0.01 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 1qb4 h VAL 383 Cb 1.05 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1qb4 h VAL 383 CO 0.07 0.05 -0.66 0.11 0.02 0.00 0.00 177.57 177.16 1qb4 h LYS 384 N -0.27 0.03 0.22 1.57 1.57 -1.50 0.82 116.57 119.02 1qb4 h LYS 384 Ca -0.02 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 1qb4 h LYS 384 Cb 0.21 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.56 1qb4 h LYS 384 CO 0.03 0.68 -1.37 0.00 -0.57 0.00 0.00 179.45 178.23 1qb4 n PHE 386 N -3.78 0.00 -2.35 0.00 3.72 0.13 -3.62 117.46 111.56 1qb4 n PHE 386 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1qb4 n PHE 386 Cb 1.05 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1qb4 n PHE 386 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qb4 n GLY 387 N 2.60 -0.21 0.36 1.37 0.00 0.29 -2.60 105.19 107.00 1qb4 n GLY 387 Ca -0.19 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1qb4 n GLY 387 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qb4 h VAL 388 N 0.00 0.04 0.00 1.61 2.07 -1.88 0.82 116.25 118.92 1qb4 h VAL 388 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qb4 h VAL 388 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1qb4 h VAL 388 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 1qb4 n PRO 389 N -5.54 0.18 0.00 1.57 -0.04 -1.26 -4.38 135.00 125.53 1qb4 n PRO 389 Ca 0.12 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1qb4 n PRO 389 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1qb4 n PRO 389 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qb4 n LEU 390 N -1.40 0.00 -3.49 1.53 7.94 0.29 -4.22 117.00 117.64 1qb4 n LEU 390 Ca 0.10 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1qb4 n LEU 390 Cb 0.27 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.11 1qb4 n LEU 390 CO 0.23 0.00 -0.14 -0.69 -1.11 0.00 0.00 177.39 175.69 1qb4 s VAL 391 N 0.00 -0.44 0.62 1.96 1.01 -1.26 -4.44 120.40 117.86 1qb4 s VAL 391 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1qb4 s VAL 391 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1qb4 s VAL 391 CO 0.00 -0.11 1.26 -0.13 0.00 0.00 0.00 175.10 176.12 1qb4 s ARG 392 N 2.42 2.77 0.43 2.72 0.52 -1.21 -4.63 118.95 121.97 1qb4 s ARG 392 Ca 0.07 1.97 0.08 0.00 -0.52 0.00 0.00 55.73 57.33 1qb4 s ARG 392 Cb -0.15 -1.91 -0.00 0.00 0.52 0.00 0.00 34.95 33.42 1qb4 s ARG 392 CO -0.12 -1.40 0.48 0.96 0.02 0.00 0.00 175.30 175.24 1qb4 s ILE 393 N -1.47 2.76 -0.02 1.52 -4.36 -0.52 -1.07 121.20 118.03 1qb4 s ILE 393 Ca 0.80 -1.18 0.06 0.00 -0.26 0.00 0.00 60.65 60.07 1qb4 s ILE 393 Cb -0.35 -2.94 -0.01 0.00 1.25 0.00 0.00 42.46 40.41 1qb4 s ILE 393 CO 0.37 0.00 -0.21 -1.81 0.24 0.00 0.00 174.94 173.53 1qb4 s ASP 394 N -4.26 2.46 0.00 4.36 1.11 -0.88 -0.57 116.67 118.90 1qb4 s ASP 394 Ca 0.51 -0.38 -0.07 0.00 0.18 0.00 0.00 52.55 52.79 1qb4 s ASP 394 Cb -0.06 -0.33 -0.05 0.00 1.07 0.00 0.00 42.92 43.55 1qb4 s ASP 394 CO 0.30 0.25 0.27 -0.63 1.18 0.00 0.00 175.17 176.55 1qb4 s ILE 395 N -0.43 5.29 -0.06 0.77 -1.09 -0.54 -3.82 121.20 121.32 1qb4 s ILE 395 Ca 0.06 0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1qb4 s ILE 395 Cb -0.09 -3.57 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1qb4 s ILE 395 CO -0.00 0.39 0.10 -0.60 -1.23 0.00 0.00 174.94 173.59 1qb4 s ARG 396 N -1.69 -0.03 0.06 2.79 3.52 -0.64 -0.41 118.95 122.55 1qb4 s ARG 396 Ca 0.27 0.44 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 1qb4 s ARG 396 Cb -0.13 -0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 32.83 1qb4 s ARG 396 CO 0.15 -0.31 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.13 1qb4 s GLN 397 N 2.13 0.61 0.68 5.12 2.00 -1.08 -1.18 119.66 127.95 1qb4 s GLN 397 Ca 0.03 -0.99 -0.11 0.00 -2.00 0.00 0.00 55.36 52.29 1qb4 s GLN 397 Cb -0.12 -0.14 -0.00 0.00 0.80 0.00 0.00 33.01 33.54 1qb4 s GLN 397 CO -0.04 -0.01 1.06 -1.83 -0.50 0.00 0.00 175.29 173.97 1qb4 s GLU 398 N -2.61 3.05 0.13 1.67 -1.05 -1.26 -2.69 118.70 115.94 1qb4 s GLU 398 Ca -0.01 0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 55.58 1qb4 s GLU 398 Cb -0.03 -2.00 -0.01 0.00 -0.44 0.00 0.00 34.13 31.65 1qb4 s GLU 398 CO -0.03 -1.01 1.62 0.66 0.95 0.00 0.00 175.26 177.45 1qb4 h SER 399 N -0.65 0.63 -0.89 0.83 4.64 -1.56 -2.91 113.55 113.63 1qb4 h SER 399 Ca -0.44 -0.25 0.23 0.00 -0.47 0.00 0.00 61.79 60.86 1qb4 h SER 399 Cb 1.21 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 63.00 1qb4 h SER 399 CO 0.58 0.71 0.35 0.74 -0.87 0.00 0.00 176.83 178.34 1qb4 h THR 400 N 0.52 0.41 -0.45 2.95 2.02 -1.87 0.40 112.91 116.89 1qb4 h THR 400 Ca 0.12 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1qb4 h THR 400 Cb 0.34 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1qb4 h THR 400 CO 0.00 0.06 0.14 0.03 0.37 0.00 0.00 175.52 176.12 1qb4 h ARG 401 N 0.32 0.66 -0.35 6.66 3.08 -1.89 -1.46 114.38 121.40 1qb4 h ARG 401 Ca 0.56 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.36 1qb4 h ARG 401 Cb 1.11 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1qb4 h ARG 401 CO -0.58 0.58 -0.38 0.45 -1.07 0.00 0.00 179.97 178.97 1qb4 h HIS 402 N 0.64 1.00 -0.41 3.04 3.86 -1.00 -2.27 115.15 120.00 1qb4 h HIS 402 Ca 0.15 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1qb4 h HIS 402 Cb 0.20 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1qb4 h HIS 402 CO 0.01 1.08 0.18 1.15 0.86 0.00 0.00 177.93 181.21 1qb4 h THR 403 N 0.69 1.19 -0.37 2.45 2.02 -0.93 -0.28 112.91 117.68 1qb4 h THR 403 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1qb4 h THR 403 Cb 0.94 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1qb4 h THR 403 CO 0.09 0.21 0.14 -0.33 0.37 0.00 0.00 175.52 176.00 1qb4 h GLU 404 N 0.52 0.55 -0.28 6.66 5.08 -1.16 0.15 114.58 126.11 1qb4 h GLU 404 Ca 0.14 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1qb4 h GLU 404 Cb 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1qb4 h GLU 404 CO -0.01 0.54 0.13 0.00 -1.00 0.00 0.00 179.01 178.67 1qb4 h ALA 405 N 0.98 0.33 0.00 3.43 0.00 -1.25 0.66 119.26 123.41 1qb4 h ALA 405 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qb4 h ALA 405 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qb4 h ALA 405 CO -0.01 -0.27 0.00 1.25 0.00 0.00 0.00 179.25 180.22 1qb4 h LEU 406 N 0.27 0.00 0.13 0.00 5.85 -0.80 -1.90 115.31 118.87 1qb4 h LEU 406 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1qb4 h LEU 406 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1qb4 h LEU 406 CO -0.09 0.00 -0.06 1.23 -0.34 0.00 0.00 178.44 179.18 1qb4 h GLY 407 N 2.57 -0.19 -0.23 3.75 0.00 0.11 -2.82 103.07 106.26 1qb4 h GLY 407 Ca 0.00 0.07 0.24 0.00 0.00 0.00 0.00 47.33 47.64 1qb4 h GLY 407 CO 0.00 -0.07 0.46 -2.09 0.00 0.00 0.00 176.54 174.84 1qb4 h GLU 408 N -1.03 0.42 0.82 4.80 4.81 -0.87 -1.33 114.58 122.19 1qb4 h GLU 408 Ca -0.02 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1qb4 h GLU 408 Cb 0.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1qb4 h GLU 408 CO 0.03 0.28 -0.43 1.25 -0.73 0.00 0.00 179.01 179.41 1qb4 h LEU 409 N 0.43 -1.05 -0.60 1.64 5.85 -1.43 -1.79 115.31 118.37 1qb4 h LEU 409 Ca 0.60 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.48 1qb4 h LEU 409 Cb 1.17 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.40 1qb4 h LEU 409 CO -0.53 -0.70 0.14 0.71 -0.34 0.00 0.00 178.44 177.72 1qb4 h THR 410 N -1.14 0.65 -0.78 1.05 1.35 -1.09 0.24 112.91 113.18 1qb4 h THR 410 Ca -0.11 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1qb4 h THR 410 Cb 0.89 0.36 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 1qb4 h THR 410 CO 0.16 0.05 0.40 0.03 -0.25 0.00 0.00 175.52 175.91 1qb4 h ARG 411 N 0.27 1.10 -0.51 4.72 -0.00 -0.85 -2.47 114.38 116.64 1qb4 h ARG 411 Ca 0.31 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.98 59.64 1qb4 h ARG 411 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 1qb4 h ARG 411 CO -0.39 0.83 0.25 -0.92 0.00 0.00 0.00 179.97 179.73 1qb4 h TYR 412 N 1.08 0.69 0.00 3.04 3.20 -0.05 -1.89 116.97 123.04 1qb4 h TYR 412 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1qb4 h TYR 412 Cb 0.07 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1qb4 h TYR 412 CO 0.01 0.51 0.00 1.28 -1.64 0.00 0.00 178.16 178.31 1qb4 n LEU 413 N -4.38 0.00 -0.31 2.82 4.77 -0.85 -4.90 117.00 114.14 1qb4 n LEU 413 Ca 0.04 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1qb4 n LEU 413 Cb 0.12 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1qb4 n LEU 413 CO 0.37 -0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 177.00 1qb4 n GLY 414 N 1.35 0.66 0.15 -0.72 0.00 -0.71 -4.92 105.19 100.99 1qb4 n GLY 414 Ca 0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1qb4 n GLY 414 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qb4 h ILE 415 N 0.00 1.44 0.00 -0.61 2.04 -1.74 -3.50 117.51 115.14 1qb4 h ILE 415 Ca -0.08 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1qb4 h ILE 415 Cb 0.44 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1qb4 h ILE 415 CO 0.12 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.58 1qb4 n GLY 416 N 0.71 0.01 2.71 5.37 0.00 -1.24 -5.04 105.19 107.70 1qb4 n GLY 416 Ca -0.04 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1qb4 n GLY 416 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qb4 s ASP 417 N -4.00 3.72 0.35 1.61 2.15 -1.26 -2.31 116.67 116.93 1qb4 s ASP 417 Ca 0.00 -2.34 0.15 0.00 0.43 0.00 0.00 52.55 50.79 1qb4 s ASP 417 Cb 0.00 -0.96 1.14 0.00 -0.30 0.00 0.00 42.92 42.80 1qb4 s ASP 417 CO 0.00 -0.31 1.60 0.22 -0.17 0.00 0.00 175.17 176.51 1qb4 h TYR 418 N 7.11 0.66 0.00 -5.34 3.20 -1.82 -1.41 116.97 119.37 1qb4 h TYR 418 Ca -0.04 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1qb4 h TYR 418 Cb 0.95 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1qb4 h TYR 418 CO 0.45 -0.39 0.00 -0.85 -1.64 0.00 0.00 178.16 175.73 1qb4 n GLU 419 N -5.26 0.93 0.00 1.82 0.28 -1.26 -2.43 120.64 114.73 1qb4 n GLU 419 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1qb4 n GLU 419 Cb 1.09 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.85 1qb4 n GLU 419 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1qb4 n SER 420 N 0.44 1.69 -4.77 -1.84 7.64 -0.53 -5.05 113.62 111.21 1qb4 n SER 420 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1qb4 n SER 420 Cb 0.42 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1qb4 n SER 420 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1qb4 s TRP 421 N -1.07 2.90 1.13 1.43 0.51 -1.02 -4.98 118.94 117.84 1qb4 s TRP 421 Ca 0.00 1.46 -0.12 0.00 -2.12 0.00 0.00 56.10 55.32 1qb4 s TRP 421 Cb 0.00 -3.57 0.26 0.00 -0.81 0.00 0.00 33.47 29.35 1qb4 s TRP 421 CO 0.00 -1.82 1.04 -1.13 -0.51 0.00 0.00 176.95 174.53 1qb4 n SER 422 N 0.09 -1.32 0.04 2.95 3.41 -1.26 -4.71 113.62 112.82 1qb4 n SER 422 Ca 0.04 -0.05 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 1qb4 n SER 422 Cb 0.45 -1.31 0.37 0.00 -0.26 0.00 0.00 64.21 63.46 1qb4 n SER 422 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qb4 h GLU 423 N -2.55 0.44 -0.07 4.33 4.57 -1.97 -1.28 114.58 118.06 1qb4 h GLU 423 Ca -0.58 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 57.39 1qb4 h GLU 423 Cb 1.32 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1qb4 h GLU 423 CO 0.47 0.43 -0.58 0.00 -1.18 0.00 0.00 179.01 178.16 1qb4 h ALA 424 N 1.62 0.90 -0.17 2.92 0.00 -2.00 -2.06 119.26 120.47 1qb4 h ALA 424 Ca 0.10 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1qb4 h ALA 424 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qb4 h ALA 424 CO 0.00 0.71 -0.35 -0.44 0.00 0.00 0.00 179.25 179.17 1qb4 h ASP 425 N 0.16 0.61 -0.69 0.00 3.32 -1.89 -1.65 116.42 116.28 1qb4 h ASP 425 Ca -0.00 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1qb4 h ASP 425 Cb 1.07 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1qb4 h ASP 425 CO 0.09 1.05 0.42 0.11 -1.72 0.00 0.00 179.24 179.19 1qb4 h LYS 426 N 0.20 0.94 -0.35 3.56 1.57 -1.05 0.19 116.57 121.63 1qb4 h LYS 426 Ca 0.01 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1qb4 h LYS 426 Cb 0.95 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1qb4 h LYS 426 CO 0.08 0.66 -0.14 1.96 -0.57 0.00 0.00 179.45 181.44 1qb4 h GLN 427 N 0.94 0.63 0.23 3.15 4.20 -1.36 0.22 115.11 123.13 1qb4 h GLN 427 Ca 0.25 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1qb4 h GLN 427 Cb -0.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1qb4 h GLN 427 CO -0.05 0.75 -0.13 0.00 -0.67 0.00 0.00 178.83 178.73 1qb4 h ALA 428 N 1.28 -0.34 -0.15 3.87 0.00 -0.33 0.46 119.26 124.05 1qb4 h ALA 428 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qb4 h ALA 428 Cb 0.57 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qb4 h ALA 428 CO 0.04 -0.70 0.08 0.35 0.00 0.00 0.00 179.25 179.02 1qb4 h PHE 429 N -0.35 0.15 -0.48 0.00 3.57 -0.45 -1.39 116.94 117.99 1qb4 h PHE 429 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1qb4 h PHE 429 Cb 0.28 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1qb4 h PHE 429 CO -0.08 0.09 0.27 -0.07 -2.23 0.00 0.00 178.31 176.29 1qb4 h LEU 430 N 0.17 0.60 -0.86 0.59 3.38 -0.32 -1.79 115.31 117.07 1qb4 h LEU 430 Ca 0.06 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1qb4 h LEU 430 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1qb4 h LEU 430 CO -0.04 0.51 -0.26 0.40 0.09 0.00 0.00 178.44 179.14 1qb4 h ILE 431 N 0.64 1.27 0.68 1.22 2.04 0.09 -0.63 117.51 122.83 1qb4 h ILE 431 Ca 0.17 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1qb4 h ILE 431 Cb 0.04 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1qb4 h ILE 431 CO -0.03 0.42 -0.35 -0.09 0.00 0.00 0.00 178.15 178.10 1qb4 h ARG 432 N 0.48 -0.92 -0.82 2.37 2.43 -0.88 -2.29 114.38 114.74 1qb4 h ARG 432 Ca 0.07 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1qb4 h ARG 432 Cb 0.70 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1qb4 h ARG 432 CO 0.05 -0.61 0.40 0.93 -1.51 0.00 0.00 179.97 179.24 1qb4 h GLU 433 N -0.95 1.18 -0.29 0.20 4.39 -1.31 -1.71 114.58 116.09 1qb4 h GLU 433 Ca -0.09 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.48 1qb4 h GLU 433 Cb 0.74 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1qb4 h GLU 433 CO 0.14 0.91 0.20 -0.07 -1.16 0.00 0.00 179.01 179.02 1qb4 h LEU 434 N 1.17 0.17 0.00 1.33 -0.00 -1.09 -1.55 115.31 115.35 1qb4 h LEU 434 Ca 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1qb4 h LEU 434 Cb 0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1qb4 h LEU 434 CO -0.04 0.11 -0.84 0.59 -0.00 0.00 0.00 178.44 178.26 1qb4 n ASN 435 N -4.49 0.66 -4.77 -0.43 3.02 -0.81 -4.95 115.26 103.50 1qb4 n ASN 435 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1qb4 n ASN 435 Cb 0.22 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1qb4 n ASN 435 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qb4 s SER 436 N -4.20 6.22 0.00 6.41 0.15 -0.58 -4.95 113.70 116.74 1qb4 s SER 436 Ca 0.04 2.75 0.22 0.00 0.70 0.00 0.00 55.95 59.66 1qb4 s SER 436 Cb 0.13 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1qb4 s SER 436 CO 0.76 -0.92 1.05 1.17 1.20 0.00 0.00 173.24 176.49 1qb4 n LYS 437 N 0.09 0.01 -3.89 5.44 3.00 -1.26 -4.88 118.16 116.67 1qb4 n LYS 437 Ca 0.04 -0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.98 1qb4 n LYS 437 Cb 0.43 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.89 1qb4 n LYS 437 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1qb4 s ARG 438 N -3.01 3.58 1.26 1.64 1.70 -1.26 -5.07 118.95 117.79 1qb4 s ARG 438 Ca 0.09 -0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 55.01 1qb4 s ARG 438 Cb 0.16 -3.21 0.30 0.00 -0.57 0.00 0.00 34.95 31.63 1qb4 s ARG 438 CO 0.82 0.66 0.85 -0.35 -1.08 0.00 0.00 175.30 176.20 1qb4 n PRO 439 N 2.36 -3.11 0.00 3.89 -0.04 -1.26 -5.00 135.00 131.84 1qb4 n PRO 439 Ca -0.19 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1qb4 n PRO 439 Cb 0.54 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1qb4 n PRO 439 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qb4 n LEU 440 N -4.77 0.04 -4.66 1.53 7.94 -1.26 -5.02 117.00 110.80 1qb4 n LEU 440 Ca 0.05 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 1qb4 n LEU 440 Cb 0.56 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.49 1qb4 n LEU 440 CO 0.52 0.01 1.06 -0.22 -1.11 0.00 0.00 177.39 177.64 1qb4 s LEU 441 N -2.03 4.16 0.21 -1.96 2.96 -1.26 -4.95 118.68 115.81 1qb4 s LEU 441 Ca 0.00 1.63 -0.32 0.00 -0.22 0.00 0.00 54.13 55.23 1qb4 s LEU 441 Cb 0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 1qb4 s LEU 441 CO 0.00 -0.75 1.67 -2.84 -1.32 0.00 0.00 176.35 173.11 1qb4 s PRO 442 N 3.46 4.14 0.18 0.98 0.02 -1.26 -4.92 135.00 137.60 1qb4 s PRO 442 Ca 0.53 2.56 -0.15 0.00 0.02 0.00 0.00 61.00 63.96 1qb4 s PRO 442 Cb -0.20 -3.08 0.15 0.00 0.02 0.00 0.00 34.50 31.38 1qb4 s PRO 442 CO 0.13 -0.71 1.68 0.07 -0.33 0.00 0.00 177.00 177.85 1qb4 h ARG 443 N 6.50 0.08 -2.93 5.54 -0.00 -2.03 -3.32 114.38 118.22 1qb4 h ARG 443 Ca -0.44 -0.01 -0.61 0.00 -0.00 0.00 0.00 59.98 58.93 1qb4 h ARG 443 Cb 1.20 -0.02 -0.40 0.00 -0.00 0.00 0.00 29.97 30.76 1qb4 h ARG 443 CO 0.92 0.06 -0.75 1.21 -0.00 0.00 0.00 179.97 181.41 1qb4 s ASN 444 N -5.25 3.54 0.32 0.08 3.84 -1.26 -5.09 114.94 111.12 1qb4 s ASN 444 Ca -0.14 -2.71 0.08 0.00 0.21 0.00 0.00 52.86 50.30 1qb4 s ASN 444 Cb 0.15 -1.00 -0.03 0.00 -0.55 0.00 0.00 41.25 39.82 1qb4 s ASN 444 CO 0.72 -0.25 0.24 0.86 -2.79 0.00 0.00 177.10 175.88 1qb4 s TRP 445 N 0.26 2.91 -0.46 0.43 -0.00 -1.25 -5.09 118.94 115.73 1qb4 s TRP 445 Ca 0.19 -0.27 0.07 0.00 -0.00 0.00 0.00 56.10 56.09 1qb4 s TRP 445 Cb -0.21 -1.67 0.40 0.00 -0.00 0.00 0.00 33.47 31.99 1qb4 s TRP 445 CO -0.02 0.29 1.02 0.00 -0.00 0.00 0.00 176.95 178.24 1qb4 n GLN 446 N -1.28 2.95 -0.41 5.86 -0.00 -1.26 -5.11 117.38 118.13 1qb4 n GLN 446 Ca -0.03 -4.40 -0.15 0.00 -0.00 0.00 0.00 57.00 52.42 1qb4 n GLN 446 Cb 0.60 -2.10 0.13 0.00 -0.00 0.00 0.00 30.24 28.87 1qb4 n GLN 446 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1qb4 n PRO 447 N -0.31 -2.48 -2.42 2.61 -0.05 -1.26 -5.03 135.00 126.05 1qb4 n PRO 447 Ca 0.32 -0.84 -0.26 0.00 -0.05 0.00 0.00 63.50 62.67 1qb4 n PRO 447 Cb 0.60 -0.87 0.04 0.00 -0.05 0.00 0.00 33.50 33.22 1qb4 n PRO 447 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1qb4 s SER 448 N -2.87 5.43 0.13 3.54 1.04 -1.26 -4.86 113.70 114.84 1qb4 s SER 448 Ca 0.35 0.58 -0.28 0.00 0.48 0.00 0.00 55.95 57.08 1qb4 s SER 448 Cb -0.04 -1.51 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 1qb4 s SER 448 CO 0.28 -1.15 1.60 0.00 0.98 0.00 0.00 173.24 174.94 1qb4 h ALA 449 N -0.20 -0.56 -0.09 5.32 0.00 -2.00 -1.67 119.26 120.06 1qb4 h ALA 449 Ca -0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1qb4 h ALA 449 Cb 1.27 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1qb4 h ALA 449 CO 0.60 -0.89 -0.52 0.93 0.00 0.00 0.00 179.25 179.36 1qb4 h GLU 450 N -0.51 -0.58 -0.65 0.00 5.08 -2.00 -1.11 114.58 114.81 1qb4 h GLU 450 Ca 0.06 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1qb4 h GLU 450 Cb 0.61 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1qb4 h GLU 450 CO -0.33 -0.39 0.27 1.15 -1.00 0.00 0.00 179.01 178.72 1qb4 h THR 451 N -0.60 0.79 -0.80 1.13 2.02 -1.89 -1.00 112.91 112.56 1qb4 h THR 451 Ca 0.03 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.12 1qb4 h THR 451 Cb 0.69 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1qb4 h THR 451 CO -0.40 0.09 0.47 -0.09 0.37 0.00 0.00 175.52 175.96 1qb4 h ARG 452 N 0.47 0.82 0.08 6.66 2.43 -0.67 0.11 114.38 124.28 1qb4 h ARG 452 Ca 0.33 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1qb4 h ARG 452 Cb 0.40 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1qb4 h ARG 452 CO -0.30 0.54 -0.07 0.93 -1.51 0.00 0.00 179.97 179.56 1qb4 h GLU 453 N 0.85 -0.15 -0.45 0.20 4.39 0.01 1.31 114.58 120.74 1qb4 h GLU 453 Ca 0.36 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.14 1qb4 h GLU 453 Cb 0.23 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1qb4 h GLU 453 CO -0.20 -0.10 0.10 0.28 -1.16 0.00 0.00 179.01 177.93 1qb4 h VAL 454 N -0.16 0.78 -0.50 3.13 2.07 -0.41 -0.93 116.25 120.24 1qb4 h VAL 454 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1qb4 h VAL 454 Cb 0.15 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1qb4 h VAL 454 CO -0.01 0.04 0.27 -0.07 0.02 0.00 0.00 177.57 177.82 1qb4 h LEU 455 N 0.24 0.63 -0.57 2.57 3.38 -0.17 -2.97 115.31 118.42 1qb4 h LEU 455 Ca 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1qb4 h LEU 455 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qb4 h LEU 455 CO -0.27 0.54 0.20 0.44 0.09 0.00 0.00 178.44 179.44 1qb4 h ASP 456 N 0.66 0.81 -0.62 -0.43 5.19 0.21 -2.79 116.42 119.46 1qb4 h ASP 456 Ca 0.17 -0.19 0.09 0.00 -0.62 0.00 0.00 57.03 56.49 1qb4 h ASP 456 Cb 0.06 -0.21 -0.07 0.00 0.18 0.00 0.00 39.33 39.29 1qb4 h ASP 456 CO -0.03 0.79 0.25 0.74 -3.12 0.00 0.00 179.24 177.87 1qb4 h THR 457 N 0.80 0.78 0.00 0.35 2.02 -1.09 0.26 112.91 116.03 1qb4 h THR 457 Ca 0.19 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1qb4 h THR 457 Cb 0.25 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1qb4 h THR 457 CO -0.01 0.08 -0.19 0.00 0.37 0.00 0.00 175.52 175.77 1qb4 h GLN 459 N 0.00 0.74 0.40 0.00 4.15 -0.32 0.11 115.11 120.19 1qb4 h GLN 459 Ca -0.00 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 1qb4 h GLN 459 Cb 0.34 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1qb4 h GLN 459 CO 0.02 0.97 -0.19 0.28 -1.93 0.00 0.00 178.83 177.98 1qb4 h VAL 460 N 0.62 0.61 -0.52 2.39 2.07 0.11 0.34 116.25 121.88 1qb4 h VAL 460 Ca 0.07 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1qb4 h VAL 460 Cb 0.86 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 1qb4 h VAL 460 CO 0.08 0.03 -0.47 0.40 0.02 0.00 0.00 177.57 177.63 1qb4 h ILE 461 N -0.64 0.07 -0.90 4.57 2.04 -0.95 0.11 117.51 121.80 1qb4 h ILE 461 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1qb4 h ILE 461 Cb 0.47 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1qb4 h ILE 461 CO 0.09 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.83 1qb4 h ALA 462 N 0.41 1.50 -0.07 1.87 0.00 -0.60 -2.29 119.26 120.09 1qb4 h ALA 462 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1qb4 h ALA 462 Cb 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qb4 h ALA 462 CO -0.65 0.37 -0.44 1.49 0.00 0.00 0.00 179.25 180.02 1qb4 h GLU 463 N 1.04 0.17 -6.97 0.00 4.81 0.15 -3.46 114.58 110.32 1qb4 h GLU 463 Ca 0.38 -0.08 -0.50 0.00 -0.13 0.00 0.00 59.36 59.03 1qb4 h GLU 463 Cb 0.17 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.60 1qb4 h GLU 463 CO -0.14 0.58 0.47 0.00 -0.73 0.00 0.00 179.01 179.19 1qb4 s ALA 464 N -4.07 3.06 0.48 2.92 0.00 0.19 -4.99 121.76 119.36 1qb4 s ALA 464 Ca -0.04 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1qb4 s ALA 464 Cb 0.13 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1qb4 s ALA 464 CO 0.76 -0.49 1.41 -2.14 0.00 0.00 0.00 175.76 175.31 1qb4 s PRO 465 N -2.52 3.52 0.18 0.00 0.02 -1.26 -4.88 135.00 130.06 1qb4 s PRO 465 Ca 0.60 2.38 -0.32 0.00 0.02 0.00 0.00 61.00 63.68 1qb4 s PRO 465 Cb -0.27 -2.54 -0.12 0.00 0.02 0.00 0.00 34.50 31.59 1qb4 s PRO 465 CO 0.34 -0.94 1.74 0.94 -0.33 0.00 0.00 177.00 178.75 1qb4 n GLN 466 N -0.44 2.73 -0.02 5.54 7.27 -1.26 -2.42 117.38 128.78 1qb4 n GLN 466 Ca 0.07 0.99 0.00 0.00 0.07 0.00 0.00 57.00 58.12 1qb4 n GLN 466 Cb 0.43 -2.84 0.00 0.00 2.41 0.00 0.00 30.24 30.23 1qb4 n GLN 466 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qb4 n GLY 467 N 4.00 0.94 0.12 1.69 0.00 -1.26 -4.95 105.19 105.73 1qb4 n GLY 467 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1qb4 n GLY 467 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qb4 n SER 468 N 0.00 1.49 -4.44 1.61 7.64 -1.02 -4.80 113.62 114.10 1qb4 n SER 468 Ca 0.00 0.19 -0.36 0.00 1.01 0.00 0.00 58.87 59.71 1qb4 n SER 468 Cb 0.00 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.74 1qb4 n SER 468 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1qb4 s ILE 469 N -2.56 4.12 -0.06 0.44 -1.09 -1.26 -1.44 121.20 119.35 1qb4 s ILE 469 Ca -0.18 -0.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.84 1qb4 s ILE 469 Cb 0.07 -2.90 -0.30 0.00 -1.58 0.00 0.00 42.46 37.75 1qb4 s ILE 469 CO 0.77 0.38 0.71 0.00 -1.23 0.00 0.00 174.94 175.57 1qb4 h ALA 470 N 7.91 0.06 -2.71 9.38 0.00 -1.16 -3.47 119.26 129.28 1qb4 h ALA 470 Ca -0.38 -0.98 0.05 0.00 0.00 0.00 0.00 54.91 53.60 1qb4 h ALA 470 Cb 1.17 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 1qb4 h ALA 470 CO 0.60 0.75 0.33 0.00 0.00 0.00 0.00 179.25 180.93 1qb4 s ALA 471 N -2.50 -1.62 -0.26 0.00 0.00 -1.26 -4.58 121.76 111.53 1qb4 s ALA 471 Ca -0.16 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 1qb4 s ALA 471 Cb 0.04 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1qb4 s ALA 471 CO 0.82 -0.81 0.06 -0.47 0.00 0.00 0.00 175.76 175.36 1qb4 s TYR 472 N -3.53 3.09 -0.13 0.00 6.04 -0.65 -1.47 117.35 120.70 1qb4 s TYR 472 Ca 0.05 -0.72 -0.10 0.00 0.04 0.00 0.00 57.07 56.33 1qb4 s TYR 472 Cb -0.02 -2.23 -0.05 0.00 -1.04 0.00 0.00 41.96 38.63 1qb4 s TYR 472 CO -0.07 -0.48 0.21 0.08 -1.54 0.00 0.00 175.55 173.75 1qb4 s VAL 473 N 1.55 5.37 -0.54 3.14 1.01 0.46 -0.99 120.40 130.40 1qb4 s VAL 473 Ca 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1qb4 s VAL 473 Cb -0.16 -3.51 0.14 0.00 0.00 0.00 0.00 36.38 32.85 1qb4 s VAL 473 CO 0.02 0.52 0.35 -0.63 0.00 0.00 0.00 175.10 175.36 1qb4 s ILE 474 N -0.35 3.60 0.64 2.22 1.01 0.44 -2.62 121.20 126.14 1qb4 s ILE 474 Ca 0.15 -2.55 -0.17 0.00 0.00 0.00 0.00 60.65 58.08 1qb4 s ILE 474 Cb -0.13 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1qb4 s ILE 474 CO 0.04 -0.80 1.16 -0.94 0.00 0.00 0.00 174.94 174.39 1qb4 s SER 475 N 1.25 5.05 -1.61 3.58 1.04 -1.09 -1.12 113.70 120.80 1qb4 s SER 475 Ca 0.13 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 1qb4 s SER 475 Cb -0.21 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1qb4 s SER 475 CO -0.04 -1.68 0.37 0.23 0.98 0.00 0.00 173.24 173.10 1qb4 n MET 476 N -2.07 -3.58 -2.21 4.02 2.81 -1.13 -1.67 117.12 113.29 1qb4 n MET 476 Ca 0.12 0.93 -0.42 0.00 -1.81 0.00 0.00 57.70 56.52 1qb4 n MET 476 Cb 0.51 -5.68 -0.03 0.00 -0.71 0.00 0.00 33.22 27.31 1qb4 n MET 476 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qb4 s ALA 477 N -3.11 3.60 -0.02 3.04 0.00 -1.04 -4.57 121.76 119.66 1qb4 s ALA 477 Ca 0.18 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.01 1qb4 s ALA 477 Cb -0.08 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1qb4 s ALA 477 CO 0.23 -1.05 0.05 1.63 0.00 0.00 0.00 175.76 176.61 1qb4 n LYS 478 N 5.92 1.89 -4.23 0.00 5.02 -1.26 -4.60 118.16 120.90 1qb4 n LYS 478 Ca 0.14 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1qb4 n LYS 478 Cb 0.44 -1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1qb4 n LYS 478 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qb4 s THR 479 N -2.17 0.01 0.44 -0.18 -4.23 -1.26 -4.96 115.64 103.29 1qb4 s THR 479 Ca -0.02 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.64 1qb4 s THR 479 Cb 0.02 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.53 1qb4 s THR 479 CO 0.15 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.56 1qb4 h PRO 480 N 2.47 0.01 0.00 3.99 0.11 -1.98 -1.42 132.00 135.18 1qb4 h PRO 480 Ca -0.33 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1qb4 h PRO 480 Cb 1.24 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qb4 h PRO 480 CO 0.48 0.20 -0.16 0.66 -0.21 0.00 0.00 178.00 178.97 1qb4 h SER 481 N 0.01 0.00 -0.90 -2.05 4.64 -1.96 -2.22 113.55 111.06 1qb4 h SER 481 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1qb4 h SER 481 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 1qb4 h SER 481 CO 0.03 0.16 0.54 0.44 -0.87 0.00 0.00 176.83 177.13 1qb4 h ASP 482 N 0.00 1.09 0.05 4.97 3.32 -1.66 0.30 116.42 124.48 1qb4 h ASP 482 Ca -0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 1qb4 h ASP 482 Cb 0.46 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.76 1qb4 h ASP 482 CO 0.02 0.84 -0.90 0.58 -1.72 0.00 0.00 179.24 178.06 1qb4 h VAL 483 N 1.25 1.36 -0.17 -1.35 2.07 -1.55 -3.23 116.25 114.62 1qb4 h VAL 483 Ca 0.32 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1qb4 h VAL 483 Cb -0.04 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1qb4 h VAL 483 CO -0.06 0.68 -0.05 -0.07 0.02 0.00 0.00 177.57 178.08 1qb4 h LEU 484 N 0.09 0.24 -0.33 2.57 3.38 -1.06 -2.53 115.31 117.67 1qb4 h LEU 484 Ca -0.13 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1qb4 h LEU 484 Cb 1.60 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1qb4 h LEU 484 CO 0.18 0.33 0.15 0.00 0.09 0.00 0.00 178.44 179.18 1qb4 h ALA 485 N 1.70 0.39 -0.20 1.53 0.00 -0.43 -1.59 119.26 120.67 1qb4 h ALA 485 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1qb4 h ALA 485 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qb4 h ALA 485 CO 0.01 -0.24 -0.33 -0.39 0.00 0.00 0.00 179.25 178.30 1qb4 h VAL 486 N 0.31 1.28 -0.48 0.00 -1.51 -1.53 -2.28 116.25 112.04 1qb4 h VAL 486 Ca 0.14 -1.40 -0.03 0.00 -1.23 0.00 0.00 66.70 64.19 1qb4 h VAL 486 Cb 0.07 1.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 1qb4 h VAL 486 CO -0.11 0.43 0.18 0.45 -1.23 0.00 0.00 177.57 177.30 1qb4 h HIS 487 N 0.36 0.69 0.37 5.19 -0.00 -1.24 -0.18 115.15 120.33 1qb4 h HIS 487 Ca 0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 1qb4 h HIS 487 Cb 0.76 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1qb4 h HIS 487 CO 0.02 0.55 -0.18 1.25 -0.00 0.00 0.00 177.93 179.57 1qb4 h LEU 488 N 0.69 -0.42 -0.40 2.43 5.85 -0.91 -1.37 115.31 121.18 1qb4 h LEU 488 Ca 0.17 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1qb4 h LEU 488 Cb 0.15 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1qb4 h LEU 488 CO -0.02 -0.11 0.02 -0.07 -0.34 0.00 0.00 178.44 177.93 1qb4 h LEU 489 N -0.75 -0.12 -1.29 2.25 3.38 -1.23 -0.09 115.31 117.47 1qb4 h LEU 489 Ca -0.05 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qb4 h LEU 489 Cb 0.51 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1qb4 h LEU 489 CO 0.08 -0.02 0.49 -0.07 0.09 0.00 0.00 178.44 179.01 1qb4 h LEU 490 N 0.13 0.81 -0.49 1.67 3.38 -1.01 0.32 115.31 120.12 1qb4 h LEU 490 Ca 0.20 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1qb4 h LEU 490 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1qb4 h LEU 490 CO -0.31 0.57 0.13 0.50 0.09 0.00 0.00 178.44 179.42 1qb4 h LYS 491 N 0.95 0.77 -0.15 1.13 3.11 0.10 -2.22 116.57 120.27 1qb4 h LYS 491 Ca 0.29 -0.18 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1qb4 h LYS 491 Cb -0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.09 1qb4 h LYS 491 CO -0.07 0.74 -0.18 0.93 -2.81 0.00 0.00 179.45 178.06 1qb4 h GLU 492 N 0.66 0.25 0.00 1.90 3.07 -0.31 -2.43 114.58 117.72 1qb4 h GLU 492 Ca 0.15 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1qb4 h GLU 492 Cb 0.31 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1qb4 h GLU 492 CO -0.00 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 178.04 1qb4 n ALA 493 N -2.49 2.10 -1.52 3.43 0.00 0.10 -4.96 120.51 117.17 1qb4 n ALA 493 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1qb4 n ALA 493 Cb 0.31 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 1qb4 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qb4 n GLY 494 N 0.77 -2.90 3.00 0.00 0.00 -0.91 -4.77 105.19 100.38 1qb4 n GLY 494 Ca 0.08 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1qb4 n GLY 494 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qb4 s ILE 495 N -0.03 0.73 -1.41 -0.61 2.07 -1.24 -4.68 121.20 116.03 1qb4 s ILE 495 Ca -0.00 -0.34 0.23 0.00 -1.41 0.00 0.00 60.65 59.12 1qb4 s ILE 495 Cb 0.00 -0.65 -0.07 0.00 0.13 0.00 0.00 42.46 41.87 1qb4 s ILE 495 CO 0.02 0.23 1.11 0.61 -1.91 0.00 0.00 174.94 174.99 1qb4 n GLY 496 N 3.23 -0.67 3.63 1.50 0.00 -1.26 -4.96 105.19 106.66 1qb4 n GLY 496 Ca -0.17 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1qb4 n GLY 496 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qb4 s PHE 497 N -2.78 2.33 -0.48 1.61 -0.12 -1.26 -5.09 117.98 112.20 1qb4 s PHE 497 Ca 0.14 -0.76 -0.23 0.00 -0.05 0.00 0.00 56.93 56.03 1qb4 s PHE 497 Cb 0.17 -1.69 0.03 0.00 -0.63 0.00 0.00 43.02 40.90 1qb4 s PHE 497 CO 0.71 0.35 0.79 0.00 -0.05 0.00 0.00 175.22 177.02 1qb4 s ALA 498 N -2.81 3.28 -0.22 1.99 0.00 -1.26 -5.03 121.76 117.70 1qb4 s ALA 498 Ca 0.29 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.87 1qb4 s ALA 498 Cb 0.08 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1qb4 s ALA 498 CO 0.15 -2.02 0.77 1.41 0.00 0.00 0.00 175.76 176.07 1qb4 s MET 499 N 3.31 4.20 -0.11 0.00 1.75 -1.26 -5.02 119.30 122.17 1qb4 s MET 499 Ca 0.28 0.85 -0.29 0.00 -1.25 0.00 0.00 55.69 55.28 1qb4 s MET 499 Cb -0.13 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.85 1qb4 s MET 499 CO 0.20 -0.43 2.12 -2.30 -0.65 0.00 0.00 175.02 173.97 1qb4 n PRO 500 N 5.69 2.32 -4.17 4.11 -0.02 -1.26 -4.89 135.00 136.77 1qb4 n PRO 500 Ca 0.03 0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 61.90 1qb4 n PRO 500 Cb 0.48 -3.13 -0.08 0.00 -0.02 0.00 0.00 33.50 30.75 1qb4 n PRO 500 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qb4 s VAL 501 N 6.69 4.76 -0.05 -1.45 1.01 -1.26 -1.63 120.40 128.47 1qb4 s VAL 501 Ca 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1qb4 s VAL 501 Cb -0.39 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1qb4 s VAL 501 CO 0.39 0.60 -0.04 0.00 0.00 0.00 0.00 175.10 176.04 1qb4 s ALA 502 N -0.83 0.74 0.39 5.51 0.00 -0.16 -4.52 121.76 122.89 1qb4 s ALA 502 Ca 0.13 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 1qb4 s ALA 502 Cb -0.12 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 1qb4 s ALA 502 CO 0.03 -0.13 1.05 -1.25 0.00 0.00 0.00 175.76 175.45 1qb4 s PRO 503 N 1.18 4.22 -0.34 0.00 0.05 -1.26 -0.42 135.00 138.44 1qb4 s PRO 503 Ca -0.07 1.52 -0.02 0.00 0.05 0.00 0.00 61.00 62.48 1qb4 s PRO 503 Cb -0.14 -2.60 0.07 0.00 0.05 0.00 0.00 34.50 31.88 1qb4 s PRO 503 CO -0.01 -0.09 0.08 -1.17 0.05 0.00 0.00 177.00 175.85 1qb4 s LEU 504 N -2.53 4.41 -0.34 -3.56 2.96 -0.27 -1.68 118.68 117.67 1qb4 s LEU 504 Ca 0.56 -1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 52.69 1qb4 s LEU 504 Cb -0.22 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1qb4 s LEU 504 CO 0.28 -0.36 0.77 -0.36 -1.32 0.00 0.00 176.35 175.36 1qb4 s PHE 505 N 1.21 3.15 -0.29 5.38 0.40 -0.88 -2.50 117.98 124.44 1qb4 s PHE 505 Ca 0.00 0.63 0.18 0.00 -0.60 0.00 0.00 56.93 57.15 1qb4 s PHE 505 Cb -0.21 -3.31 0.48 0.00 0.51 0.00 0.00 43.02 40.49 1qb4 s PHE 505 CO -0.02 -0.66 1.07 -0.85 0.70 0.00 0.00 175.22 175.45 1qb4 n GLU 506 N 6.31 1.89 -3.74 0.44 0.28 -1.26 -0.20 120.64 124.35 1qb4 n GLU 506 Ca 0.03 -3.58 -0.12 0.00 -0.16 0.00 0.00 57.16 53.33 1qb4 n GLU 506 Cb 0.48 -1.62 -0.07 0.00 1.43 0.00 0.00 31.44 31.66 1qb4 n GLU 506 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1qb4 s THR 507 N -3.81 0.08 0.09 3.84 2.01 -1.26 -3.11 115.64 113.48 1qb4 s THR 507 Ca 0.31 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1qb4 s THR 507 Cb 0.38 -0.94 -0.13 0.00 0.01 0.00 0.00 72.50 71.82 1qb4 s THR 507 CO -0.02 -0.36 1.65 0.25 -0.69 0.00 0.00 174.62 175.45 1qb4 h LEU 508 N 3.19 -0.65 -0.78 4.42 5.85 -1.92 0.26 115.31 125.67 1qb4 h LEU 508 Ca -0.32 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1qb4 h LEU 508 Cb 1.20 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 1qb4 h LEU 508 CO 0.46 -0.37 0.50 0.44 -0.34 0.00 0.00 178.44 179.12 1qb4 h ASP 509 N -0.56 0.82 -0.55 1.25 3.32 -1.98 0.48 116.42 119.21 1qb4 h ASP 509 Ca -0.02 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1qb4 h ASP 509 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1qb4 h ASP 509 CO -0.02 0.57 0.25 0.44 -1.72 0.00 0.00 179.24 178.75 1qb4 h ASP 510 N 0.97 0.73 -0.35 6.45 3.32 -1.89 1.40 116.42 127.04 1qb4 h ASP 510 Ca 0.31 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1qb4 h ASP 510 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1qb4 h ASP 510 CO -0.11 0.67 0.17 -0.07 -1.72 0.00 0.00 179.24 178.18 1qb4 h LEU 511 N 0.74 0.26 -0.87 1.55 3.38 0.69 0.51 115.31 121.57 1qb4 h LEU 511 Ca 0.19 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1qb4 h LEU 511 Cb 0.15 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1qb4 h LEU 511 CO -0.02 0.19 0.52 0.78 0.09 0.00 0.00 178.44 179.99 1qb4 h ASN 512 N 0.36 0.75 0.71 -0.43 2.35 0.95 -2.39 115.58 117.89 1qb4 h ASN 512 Ca 0.15 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1qb4 h ASN 512 Cb 0.06 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1qb4 h ASN 512 CO -0.10 0.43 -0.34 0.59 -1.65 0.00 0.00 177.43 176.36 1qb4 n ASN 513 N -4.70 0.37 -0.27 5.81 4.13 0.47 -4.40 115.26 116.67 1qb4 n ASN 513 Ca 0.15 0.04 0.02 0.00 1.68 0.00 0.00 54.58 56.46 1qb4 n ASN 513 Cb 0.28 -0.02 0.09 0.00 -1.54 0.00 0.00 39.78 38.59 1qb4 n ASN 513 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qb4 h ALA 514 N 2.94 0.51 -0.83 5.41 0.00 0.53 0.30 119.26 128.12 1qb4 h ALA 514 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1qb4 h ALA 514 Cb 0.53 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1qb4 h ALA 514 CO 0.00 -0.41 0.46 -0.97 0.00 0.00 0.00 179.25 178.33 1qb4 h ASN 515 N -0.00 1.03 -0.38 0.00 -1.24 -1.77 -0.49 115.58 112.73 1qb4 h ASN 515 Ca 0.37 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 1qb4 h ASN 515 Cb 0.57 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1qb4 h ASN 515 CO -0.81 0.82 0.14 0.44 -1.29 0.00 0.00 177.43 176.74 1qb4 h ASP 516 N 1.15 0.53 -0.63 1.15 3.32 -1.42 -0.70 116.42 119.82 1qb4 h ASP 516 Ca 0.29 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1qb4 h ASP 516 Cb 0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1qb4 h ASP 516 CO -0.05 0.56 0.34 0.58 -1.72 0.00 0.00 179.24 178.96 1qb4 h VAL 517 N 0.46 0.97 0.00 -1.35 2.07 -0.53 -2.58 116.25 115.29 1qb4 h VAL 517 Ca 0.13 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1qb4 h VAL 517 Cb 0.20 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1qb4 h VAL 517 CO -0.01 0.12 -0.07 0.24 0.02 0.00 0.00 177.57 177.87 1qb4 h MET 518 N 0.64 0.00 0.00 1.57 2.86 -0.57 -2.66 114.93 116.78 1qb4 h MET 518 Ca 0.28 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.73 1qb4 h MET 518 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1qb4 h MET 518 CO -0.17 0.07 -0.85 1.79 1.06 0.00 0.00 176.91 178.80 1qb4 h THR 519 N 0.00 1.51 0.17 2.22 1.35 -0.81 0.54 112.91 117.90 1qb4 h THR 519 Ca -0.00 -2.64 -0.01 0.00 -0.55 0.00 0.00 66.41 63.21 1qb4 h THR 519 Cb 1.03 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1qb4 h THR 519 CO 0.01 0.77 -0.08 -0.61 -0.25 0.00 0.00 175.52 175.35 1qb4 h GLN 520 N 0.08 -0.23 -0.56 4.72 5.75 -1.47 -0.83 115.11 122.58 1qb4 h GLN 520 Ca -0.03 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1qb4 h GLN 520 Cb 1.48 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 30.00 1qb4 h GLN 520 CO 0.13 0.07 0.15 -0.07 -2.65 0.00 0.00 178.83 176.46 1qb4 h LEU 521 N -0.52 0.08 -0.50 -2.39 3.38 -1.40 0.38 115.31 114.33 1qb4 h LEU 521 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qb4 h LEU 521 Cb 0.40 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1qb4 h LEU 521 CO 0.04 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.81 1qb4 n LEU 522 N -5.07 0.61 0.08 1.67 4.77 0.17 -2.27 117.00 116.97 1qb4 n LEU 522 Ca 0.08 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1qb4 n LEU 522 Cb 0.27 -0.53 0.43 0.00 -2.33 0.00 0.00 43.42 41.27 1qb4 n LEU 522 CO 0.20 -0.46 0.87 0.59 -1.33 0.00 0.00 177.39 177.27 1qb4 n ASN 523 N -2.15 0.67 -4.59 -1.43 3.02 0.13 -4.68 115.26 106.24 1qb4 n ASN 523 Ca 0.03 0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 54.69 1qb4 n ASN 523 Cb 0.26 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.71 1qb4 n ASN 523 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qb4 s ILE 524 N -3.09 3.98 0.38 2.41 1.01 -0.96 -4.92 121.20 120.02 1qb4 s ILE 524 Ca 0.11 0.92 0.15 0.00 0.00 0.00 0.00 60.65 61.82 1qb4 s ILE 524 Cb 0.14 -4.55 0.36 0.00 0.01 0.00 0.00 42.46 38.42 1qb4 s ILE 524 CO 0.59 -1.14 1.81 0.44 0.00 0.00 0.00 174.94 176.64 1qb4 h ASP 525 N 10.04 0.53 -0.48 3.58 3.32 -1.87 -1.64 116.42 129.90 1qb4 h ASP 525 Ca -0.25 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1qb4 h ASP 525 Cb 1.07 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1qb4 h ASP 525 CO 1.16 0.17 0.25 -0.25 -1.72 0.00 0.00 179.24 178.85 1qb4 h TRP 526 N 0.50 0.67 -0.46 4.55 7.01 -1.94 -2.85 115.95 123.43 1qb4 h TRP 526 Ca 0.54 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.48 1qb4 h TRP 526 Cb 1.20 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.03 1qb4 h TRP 526 CO -0.00 0.51 0.15 -0.92 -2.79 0.00 0.00 178.44 175.39 1qb4 h TYR 527 N 0.63 0.73 -0.85 2.65 3.20 -1.60 -2.84 116.97 118.89 1qb4 h TYR 527 Ca 0.17 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1qb4 h TYR 527 Cb 0.07 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 1qb4 h TYR 527 CO -0.01 0.64 0.54 -0.09 -1.64 0.00 0.00 178.16 177.60 1qb4 h ARG 528 N 0.60 1.02 0.00 1.82 2.43 -1.38 -1.47 114.38 117.41 1qb4 h ARG 528 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1qb4 h ARG 528 Cb 0.25 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1qb4 h ARG 528 CO -0.01 0.68 -0.11 0.41 -1.51 0.00 0.00 179.97 179.44 1qb4 n GLY 529 N -1.33 -1.64 0.10 2.80 0.00 -1.08 -3.61 105.19 100.43 1qb4 n GLY 529 Ca 0.10 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1qb4 n GLY 529 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qb4 h LEU 530 N 0.00 0.35 -0.17 0.99 5.85 -1.03 -3.32 115.31 117.97 1qb4 h LEU 530 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1qb4 h LEU 530 Cb 0.72 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1qb4 h LEU 530 CO 0.00 1.29 -0.04 2.30 -0.34 0.00 0.00 178.44 181.65 1qb4 n ILE 531 N -3.50 0.00 -3.99 4.05 -5.35 -0.99 -4.95 119.36 104.62 1qb4 n ILE 531 Ca -0.07 -0.04 -0.30 0.00 -0.27 0.00 0.00 62.75 62.07 1qb4 n ILE 531 Cb 1.01 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 1qb4 n ILE 531 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qb4 n GLN 532 N -0.94 -2.16 -1.46 6.28 6.02 -1.25 -2.12 117.38 121.74 1qb4 n GLN 532 Ca 0.18 0.32 -0.07 0.00 -0.01 0.00 0.00 57.00 57.41 1qb4 n GLN 532 Cb 0.22 -4.06 -0.02 0.00 1.02 0.00 0.00 30.24 27.40 1qb4 n GLN 532 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qb4 n GLY 533 N -2.06 0.71 3.13 1.08 0.00 -1.26 -5.02 105.19 101.77 1qb4 n GLY 533 Ca -0.26 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1qb4 n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qb4 s LYS 534 N -3.09 0.28 0.10 1.61 1.02 -0.90 -0.64 119.74 118.11 1qb4 s LYS 534 Ca 0.00 0.57 0.06 0.00 0.02 0.00 0.00 55.97 56.62 1qb4 s LYS 534 Cb 0.00 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 1qb4 s LYS 534 CO 0.00 -0.14 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.50 1qb4 s GLN 535 N 1.08 0.96 -0.07 1.68 -1.52 -1.18 -4.78 119.66 115.82 1qb4 s GLN 535 Ca -0.08 -1.14 -0.01 0.00 -1.95 0.00 0.00 55.36 52.18 1qb4 s GLN 535 Cb -0.08 -0.90 0.03 0.00 -0.22 0.00 0.00 33.01 31.84 1qb4 s GLN 535 CO -0.08 0.18 -0.01 1.41 -0.25 0.00 0.00 175.29 176.54 1qb4 s MET 536 N -2.33 0.76 0.21 2.91 -2.45 -1.26 -1.52 119.30 115.62 1qb4 s MET 536 Ca 0.05 0.04 0.06 0.00 -1.25 0.00 0.00 55.69 54.59 1qb4 s MET 536 Cb -0.07 -1.05 -0.04 0.00 1.25 0.00 0.00 34.83 34.93 1qb4 s MET 536 CO 0.03 -0.28 0.15 0.08 1.05 0.00 0.00 175.02 176.05 1qb4 s VAL 537 N 1.84 4.36 -0.07 10.11 1.01 -0.78 -4.19 120.40 132.68 1qb4 s VAL 537 Ca 0.04 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1qb4 s VAL 537 Cb -0.12 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1qb4 s VAL 537 CO -0.05 -0.23 -0.19 -0.32 0.00 0.00 0.00 175.10 174.30 1qb4 s MET 538 N -3.46 2.23 -0.31 2.72 1.75 -0.68 0.40 119.30 121.95 1qb4 s MET 538 Ca 0.32 -0.68 -0.10 0.00 -1.25 0.00 0.00 55.69 53.98 1qb4 s MET 538 Cb -0.09 -1.82 -0.01 0.00 2.84 0.00 0.00 34.83 35.75 1qb4 s MET 538 CO 0.24 0.20 0.15 0.42 -0.65 0.00 0.00 175.02 175.37 1qb4 s ILE 539 N 0.24 4.65 -1.27 10.11 -1.09 -0.95 -2.07 121.20 130.81 1qb4 s ILE 539 Ca -0.11 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 57.84 1qb4 s ILE 539 Cb -0.15 -3.35 0.16 0.00 -1.58 0.00 0.00 42.46 37.55 1qb4 s ILE 539 CO 0.05 0.09 1.79 0.61 -1.23 0.00 0.00 174.94 176.25 1qb4 n GLY 540 N 4.99 4.44 0.49 6.18 0.00 0.71 -3.87 105.19 118.14 1qb4 n GLY 540 Ca -0.14 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1qb4 n GLY 540 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qb4 h TYR 541 N 6.06 -1.49 -0.77 1.61 3.20 -1.89 -0.52 116.97 123.16 1qb4 h TYR 541 Ca 0.38 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.46 1qb4 h TYR 541 Cb 0.68 0.62 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 1qb4 h TYR 541 CO 1.23 -0.62 0.52 0.77 -1.64 0.00 0.00 178.16 178.42 1qb4 h SER 542 N -0.84 0.32 0.24 -2.11 0.02 -1.89 0.85 113.55 110.14 1qb4 h SER 542 Ca -0.02 0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1qb4 h SER 542 Cb 0.80 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.31 1qb4 h SER 542 CO -0.22 0.15 -1.71 0.44 -1.14 0.00 0.00 176.83 174.35 1qb4 h ASP 543 N 0.33 0.57 -0.87 3.07 5.19 -1.68 -3.05 116.42 119.98 1qb4 h ASP 543 Ca 0.38 -0.85 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1qb4 h ASP 543 Cb 1.01 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 1qb4 h ASP 543 CO -0.11 1.72 0.58 0.28 -3.12 0.00 0.00 179.24 178.59 1qb4 h SER 544 N 0.10 0.99 0.05 6.45 0.02 -0.51 0.22 113.55 120.87 1qb4 h SER 544 Ca -0.33 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1qb4 h SER 544 Cb 2.09 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 1qb4 h SER 544 CO 0.18 0.71 -0.04 0.00 -1.14 0.00 0.00 176.83 176.54 1qb4 h ALA 545 N 1.32 1.75 -0.19 3.77 0.00 -0.94 0.24 119.26 125.22 1qb4 h ALA 545 Ca 0.32 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1qb4 h ALA 545 Cb -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qb4 h ALA 545 CO -0.07 0.05 -0.50 -0.22 0.00 0.00 0.00 179.25 178.51 1qb4 h LYS 546 N 0.00 0.51 0.27 0.00 3.64 -0.53 0.15 116.57 120.61 1qb4 h LYS 546 Ca -0.00 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1qb4 h LYS 546 Cb 0.07 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1qb4 h LYS 546 CO 0.00 0.89 -0.13 0.22 -2.27 0.00 0.00 179.45 178.17 1qb4 h ASP 547 N 0.41 -0.31 -0.02 4.20 3.58 0.10 -3.40 116.42 120.97 1qb4 h ASP 547 Ca 0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1qb4 h ASP 547 Cb 1.01 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1qb4 h ASP 547 CO 0.09 -0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.28 1qb4 n ALA 548 N -2.26 2.47 0.00 -0.78 0.00 0.14 -4.87 120.51 115.22 1qb4 n ALA 548 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1qb4 n ALA 548 Cb 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1qb4 n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qb4 n GLY 549 N 0.92 1.47 0.18 0.00 0.00 0.51 -4.00 105.19 104.27 1qb4 n GLY 549 Ca 0.10 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.32 1qb4 n GLY 549 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qb4 h VAL 550 N 0.00 1.22 -0.02 1.61 -1.51 -1.78 -2.59 116.25 113.18 1qb4 h VAL 550 Ca 0.00 -1.38 -0.01 0.00 -1.23 0.00 0.00 66.70 64.08 1qb4 h VAL 550 Cb 0.00 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1qb4 h VAL 550 CO 0.00 0.39 -0.02 0.24 -1.23 0.00 0.00 177.57 176.94 1qb4 h MET 551 N 0.00 0.06 -0.16 5.19 2.86 -1.93 -1.42 114.93 119.52 1qb4 h MET 551 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1qb4 h MET 551 Cb 0.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1qb4 h MET 551 CO 0.05 0.52 0.07 0.00 1.06 0.00 0.00 176.91 178.62 1qb4 h ALA 552 N 0.54 0.20 -0.00 6.32 0.00 -1.79 -0.08 119.26 124.46 1qb4 h ALA 552 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qb4 h ALA 552 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qb4 h ALA 552 CO 0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 178.89 1qb4 h ALA 553 N 0.94 -0.16 -0.74 0.00 0.00 -1.54 0.37 119.26 118.13 1qb4 h ALA 553 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1qb4 h ALA 553 Cb 0.13 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1qb4 h ALA 553 CO -0.01 -0.63 0.47 0.77 0.00 0.00 0.00 179.25 179.85 1qb4 h SER 554 N -0.23 0.76 -0.01 0.00 0.02 -0.83 0.45 113.55 113.71 1qb4 h SER 554 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1qb4 h SER 554 Cb 0.29 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1qb4 h SER 554 CO -0.14 0.52 -0.55 -0.25 -1.14 0.00 0.00 176.83 175.27 1qb4 h TRP 555 N 0.90 0.75 -0.47 3.45 -0.00 -0.67 0.61 115.95 120.52 1qb4 h TRP 555 Ca 0.30 -0.27 0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1qb4 h TRP 555 Cb 0.04 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.02 1qb4 h TRP 555 CO -0.04 1.01 0.24 0.00 -0.00 0.00 0.00 178.44 179.65 1qb4 h ALA 556 N 0.93 0.59 -0.28 2.65 0.00 0.11 -0.20 119.26 123.06 1qb4 h ALA 556 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1qb4 h ALA 556 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1qb4 h ALA 556 CO 0.11 -0.11 -0.28 0.37 0.00 0.00 0.00 179.25 179.33 1qb4 h GLN 557 N 0.47 0.56 -0.35 0.00 4.15 0.22 -0.67 115.11 119.50 1qb4 h GLN 557 Ca 0.20 -0.23 0.06 0.00 0.77 0.00 0.00 58.65 59.44 1qb4 h GLN 557 Cb 0.10 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1qb4 h GLN 557 CO -0.14 0.79 0.05 -0.92 -1.93 0.00 0.00 178.83 176.68 1qb4 h TYR 558 N 0.49 0.08 -0.20 3.99 3.20 0.81 -1.70 116.97 123.64 1qb4 h TYR 558 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1qb4 h TYR 558 Cb 0.74 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1qb4 h TYR 558 CO 0.03 -0.01 0.02 1.96 -1.64 0.00 0.00 178.16 178.52 1qb4 h GLN 559 N 0.16 0.34 -0.82 1.82 4.20 -1.03 -2.86 115.11 116.93 1qb4 h GLN 559 Ca 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1qb4 h GLN 559 Cb 0.20 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1qb4 h GLN 559 CO -0.24 0.52 0.51 0.00 -0.67 0.00 0.00 178.83 178.95 1qb4 h ALA 560 N 0.81 1.04 -0.34 3.87 0.00 -0.89 -0.79 119.26 122.95 1qb4 h ALA 560 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1qb4 h ALA 560 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qb4 h ALA 560 CO 0.01 0.48 -0.10 1.96 0.00 0.00 0.00 179.25 181.60 1qb4 h GLN 561 N 1.11 0.58 -0.39 0.00 4.20 -1.27 0.25 115.11 119.59 1qb4 h GLN 561 Ca 0.29 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1qb4 h GLN 561 Cb -0.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1qb4 h GLN 561 CO -0.06 0.67 0.04 0.22 -0.67 0.00 0.00 178.83 179.03 1qb4 h ASP 562 N 0.54 0.63 0.06 1.46 3.58 -1.20 0.57 116.42 122.07 1qb4 h ASP 562 Ca 0.10 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1qb4 h ASP 562 Cb 0.49 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1qb4 h ASP 562 CO 0.03 0.75 -0.03 0.00 -2.88 0.00 0.00 179.24 177.11 1qb4 h ALA 563 N 0.90 -0.09 -0.92 -0.78 0.00 -0.90 -2.34 119.26 115.14 1qb4 h ALA 563 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qb4 h ALA 563 Cb 0.41 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1qb4 h ALA 563 CO 0.01 -0.52 0.55 -0.07 0.00 0.00 0.00 179.25 179.23 1qb4 h LEU 564 N -0.15 1.10 -0.08 0.00 3.38 -0.86 0.18 115.31 118.88 1qb4 h LEU 564 Ca -0.01 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1qb4 h LEU 564 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1qb4 h LEU 564 CO 0.01 0.85 -0.08 0.40 0.09 0.00 0.00 178.44 179.71 1qb4 h ILE 565 N 1.27 0.76 -0.03 1.22 2.04 -0.72 -1.11 117.51 120.93 1qb4 h ILE 565 Ca 0.33 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.19 1qb4 h ILE 565 Cb -0.05 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1qb4 h ILE 565 CO -0.06 0.00 0.02 0.11 0.00 0.00 0.00 178.15 178.22 1qb4 h LYS 566 N -0.11 0.05 0.11 2.37 1.57 -1.17 -0.90 116.57 118.49 1qb4 h LYS 566 Ca 0.06 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1qb4 h LYS 566 Cb 0.19 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1qb4 h LYS 566 CO -0.15 0.08 -0.34 1.15 -0.57 0.00 0.00 179.45 179.62 1qb4 h THR 567 N 0.00 0.28 -0.46 -0.16 2.02 -0.32 0.31 112.91 114.58 1qb4 h THR 567 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1qb4 h THR 567 Cb 0.04 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1qb4 h THR 567 CO -0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 1qb4 h GLU 569 N 0.50 0.61 0.30 0.00 4.57 -0.10 0.30 114.58 120.76 1qb4 h GLU 569 Ca 0.18 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1qb4 h GLU 569 Cb 0.11 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1qb4 h GLU 569 CO -0.05 0.68 -0.25 0.87 -1.18 0.00 0.00 179.01 179.08 1qb4 h LYS 570 N 0.45 -0.55 0.00 1.92 6.56 0.22 -1.96 116.57 123.21 1qb4 h LYS 570 Ca 0.11 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1qb4 h LYS 570 Cb 0.37 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1qb4 h LYS 570 CO 0.01 -0.36 0.00 0.00 -2.06 0.00 0.00 179.45 177.03 1qb4 n ALA 571 N -2.50 1.91 -1.34 3.86 0.00 -0.63 -4.88 120.51 116.93 1qb4 n ALA 571 Ca -0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1qb4 n ALA 571 Cb 0.29 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1qb4 n ALA 571 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qb4 n GLY 572 N -0.21 0.90 3.84 0.00 0.00 0.88 -5.02 105.19 105.58 1qb4 n GLY 572 Ca 0.09 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1qb4 n GLY 572 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qb4 s ILE 573 N -2.31 5.47 -0.69 -0.61 -1.09 -0.29 -4.85 121.20 116.82 1qb4 s ILE 573 Ca 0.00 0.20 -0.27 0.00 -2.23 0.00 0.00 60.65 58.35 1qb4 s ILE 573 Cb 0.00 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1qb4 s ILE 573 CO 0.00 0.57 1.38 -0.70 -1.23 0.00 0.00 174.94 174.97 1qb4 s GLU 574 N -0.66 3.13 0.37 2.79 2.12 0.18 -4.46 118.70 122.17 1qb4 s GLU 574 Ca 0.13 -0.00 -0.25 0.00 0.36 0.00 0.00 54.97 55.21 1qb4 s GLU 574 Cb -0.12 -4.20 -0.09 0.00 0.26 0.00 0.00 34.13 29.98 1qb4 s GLU 574 CO 0.02 -2.20 1.04 -1.17 -0.54 0.00 0.00 175.26 172.42 1qb4 s LEU 575 N 6.28 4.24 -0.12 2.70 2.96 -1.26 -3.09 118.68 130.38 1qb4 s LEU 575 Ca 0.42 2.05 -0.00 0.00 -0.22 0.00 0.00 54.13 56.38 1qb4 s LEU 575 Cb -0.09 -4.06 0.02 0.00 0.50 0.00 0.00 46.19 42.56 1qb4 s LEU 575 CO 0.18 -0.36 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.85 1qb4 s THR 576 N -1.56 1.23 -0.16 3.68 2.01 -0.58 -3.80 115.64 116.46 1qb4 s THR 576 Ca 0.54 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1qb4 s THR 576 Cb -0.23 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1qb4 s THR 576 CO 0.29 0.40 0.59 -0.76 -0.69 0.00 0.00 174.62 174.46 1qb4 s LEU 577 N 1.61 4.20 -0.27 4.42 1.43 -1.26 -1.87 118.68 126.94 1qb4 s LEU 577 Ca 0.05 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 1qb4 s LEU 577 Cb -0.13 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1qb4 s LEU 577 CO -0.09 -0.18 0.33 0.12 0.23 0.00 0.00 176.35 176.76 1qb4 s PHE 578 N 1.42 3.25 0.13 0.29 5.36 0.16 -4.22 117.98 124.38 1qb4 s PHE 578 Ca 0.29 0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 56.54 1qb4 s PHE 578 Cb -0.16 -2.52 -0.06 0.00 -0.34 0.00 0.00 43.02 39.95 1qb4 s PHE 578 CO 0.11 -0.19 0.42 -1.01 -1.46 0.00 0.00 175.22 173.09 1qb4 s HIS 579 N 1.91 3.51 0.00 10.12 3.76 0.53 -2.24 115.29 132.87 1qb4 s HIS 579 Ca 0.13 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1qb4 s HIS 579 Cb -0.16 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1qb4 s HIS 579 CO 0.10 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 1qb4 n GLY 580 N 0.35 1.84 3.67 -2.22 0.00 -1.25 -2.12 105.19 105.46 1qb4 n GLY 580 Ca -0.04 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1qb4 n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qb4 s ARG 581 N 2.97 4.22 3.72 1.61 3.00 -1.26 -4.21 118.95 129.00 1qb4 s ARG 581 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 55.73 57.76 1qb4 s ARG 581 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 34.95 31.14 1qb4 s ARG 581 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.30 174.97 1qb4 n GLY 582 N 3.89 0.49 0.28 -3.53 0.00 -1.26 -4.21 105.19 100.85 1qb4 n GLY 582 Ca 0.15 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1qb4 n GLY 582 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb4 n GLY 583 N 0.00 -1.62 0.13 -0.02 0.00 0.18 -2.96 105.19 100.90 1qb4 n GLY 583 Ca 0.00 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1qb4 n GLY 583 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qb4 h SER 584 N -0.26 0.00 1.72 1.61 4.64 -1.95 -2.72 113.55 116.59 1qb4 h SER 584 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1qb4 h SER 584 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1qb4 h SER 584 CO 0.00 0.00 -0.16 0.40 -0.87 0.00 0.00 176.83 176.20 1qb4 h ILE 585 N 0.00 0.29 -0.79 0.95 2.04 -1.90 -3.15 117.51 114.95 1qb4 h ILE 585 Ca 0.00 -1.33 -0.28 0.00 1.00 0.00 0.00 64.86 64.25 1qb4 h ILE 585 Cb 0.49 2.08 -0.16 0.00 -0.74 0.00 0.00 36.82 38.48 1qb4 h ILE 585 CO 0.00 0.16 0.35 0.61 0.00 0.00 0.00 178.15 179.26 1qb4 n GLY 586 N 1.01 3.84 0.19 5.37 0.00 -1.03 -4.47 105.19 110.10 1qb4 n GLY 586 Ca 0.03 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.14 1qb4 n GLY 586 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qb4 h ARG 587 N 2.34 0.00 -0.25 1.61 3.08 -1.65 -3.45 114.38 116.07 1qb4 h ARG 587 Ca 0.34 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.42 1qb4 h ARG 587 Cb 2.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.48 1qb4 h ARG 587 CO 0.81 0.02 -0.08 0.41 -1.07 0.00 0.00 179.97 180.07 1qb4 n GLY 588 N 1.13 -2.23 7.00 0.04 0.00 -1.26 -4.82 105.19 105.04 1qb4 n GLY 588 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1qb4 n GLY 588 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb4 n GLY 589 N -2.47 1.29 0.24 -0.02 0.00 -1.26 -2.92 105.19 100.06 1qb4 n GLY 589 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1qb4 n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qb4 h ALA 590 N -0.93 0.64 -0.93 4.61 0.00 -1.99 -2.35 119.26 118.30 1qb4 h ALA 590 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1qb4 h ALA 590 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 1qb4 h ALA 590 CO 0.00 0.41 0.56 -1.35 0.00 0.00 0.00 179.25 178.87 1qb4 h PRO 591 N 0.68 0.89 0.24 0.00 0.11 -1.93 0.38 132.00 132.36 1qb4 h PRO 591 Ca 0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1qb4 h PRO 591 Cb 0.46 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1qb4 h PRO 591 CO 0.02 0.59 -0.13 0.00 -0.21 0.00 0.00 178.00 178.27 1qb4 h ALA 592 N 1.50 -0.34 -0.62 -0.75 0.00 -1.34 0.90 119.26 118.62 1qb4 h ALA 592 Ca 0.45 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1qb4 h ALA 592 Cb 0.43 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1qb4 h ALA 592 CO -0.26 -0.69 0.29 1.25 0.00 0.00 0.00 179.25 179.84 1qb4 h HIS 593 N -0.34 0.52 -0.39 0.00 6.17 -0.71 0.34 115.15 120.75 1qb4 h HIS 593 Ca -0.03 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1qb4 h HIS 593 Cb 0.27 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1qb4 h HIS 593 CO -0.07 0.20 0.24 0.00 0.71 0.00 0.00 177.93 179.02 1qb4 h ALA 594 N 1.37 0.50 -0.66 5.26 0.00 0.79 -2.88 119.26 123.64 1qb4 h ALA 594 Ca 0.29 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1qb4 h ALA 594 Cb 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1qb4 h ALA 594 CO -0.24 -0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.35 1qb4 h ALA 595 N 1.12 0.88 -0.75 0.00 0.00 0.45 -1.67 119.26 119.29 1qb4 h ALA 595 Ca 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1qb4 h ALA 595 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qb4 h ALA 595 CO -0.03 0.02 0.25 -0.07 0.00 0.00 0.00 179.25 179.42 1qb4 h LEU 596 N 0.65 1.07 -0.97 0.00 4.07 -0.81 -1.99 115.31 117.34 1qb4 h LEU 596 Ca 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1qb4 h LEU 596 Cb 0.20 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1qb4 h LEU 596 CO -0.19 0.98 0.00 -0.07 -1.08 0.00 0.00 178.44 178.08 1qb4 h LEU 597 N 1.11 0.00 -2.72 1.67 4.07 -1.11 -3.01 115.31 115.31 1qb4 h LEU 597 Ca 0.24 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 1qb4 h LEU 597 Cb 0.28 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.98 1qb4 h LEU 597 CO -0.01 0.00 0.10 -1.54 -1.08 0.00 0.00 178.44 175.91 1qb4 n SER 598 N -2.57 3.79 -4.96 -0.43 3.41 -0.75 -4.46 113.62 107.66 1qb4 n SER 598 Ca 0.02 -2.67 -0.23 0.00 -0.26 0.00 0.00 58.87 55.73 1qb4 n SER 598 Cb 0.27 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 1qb4 n SER 598 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qb4 s GLN 599 N -2.06 3.44 0.29 4.33 -0.21 -1.14 -4.08 119.66 120.23 1qb4 s GLN 599 Ca 0.34 -0.69 -0.27 0.00 0.02 0.00 0.00 55.36 54.75 1qb4 s GLN 599 Cb 0.26 -2.92 -0.14 0.00 1.00 0.00 0.00 33.01 31.21 1qb4 s GLN 599 CO 0.09 0.46 0.91 -2.30 -2.12 0.00 0.00 175.29 172.33 1qb4 n PRO 600 N -1.08 1.11 -1.52 2.91 -0.02 -1.26 -4.69 135.00 130.46 1qb4 n PRO 600 Ca -0.08 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 1qb4 n PRO 600 Cb 0.56 -1.72 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1qb4 n PRO 600 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qb4 n PRO 601 N 0.71 0.74 0.00 0.52 -0.02 -1.26 -1.47 135.00 134.23 1qb4 n PRO 601 Ca 0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1qb4 n PRO 601 Cb 0.32 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1qb4 n PRO 601 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qb4 n GLY 602 N 1.58 2.34 0.29 -1.23 0.00 -1.26 -4.93 105.19 101.98 1qb4 n GLY 602 Ca 0.12 -0.33 0.24 0.00 0.00 0.00 0.00 46.02 46.05 1qb4 n GLY 602 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qb4 n SER 603 N 1.15 0.10 -0.07 1.61 7.64 -0.54 -0.60 113.62 122.92 1qb4 n SER 603 Ca 0.00 0.77 0.09 0.00 1.01 0.00 0.00 58.87 60.74 1qb4 n SER 603 Cb 0.00 -0.38 0.13 0.00 -1.01 0.00 0.00 64.21 62.95 1qb4 n SER 603 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qb4 n LEU 604 N -3.73 2.31 0.08 -3.43 4.77 -1.26 -4.58 117.00 111.16 1qb4 n LEU 604 Ca 0.24 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 1qb4 n LEU 604 Cb 0.95 -0.40 0.31 0.00 -2.33 0.00 0.00 43.42 41.95 1qb4 n LEU 604 CO 0.13 0.69 0.81 0.50 -1.33 0.00 0.00 177.39 178.19 1qb4 h LYS 605 N 0.00 0.30 -0.63 3.23 3.64 -1.19 -2.35 116.57 119.58 1qb4 h LYS 605 Ca 0.00 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 1qb4 h LYS 605 Cb 0.97 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.63 1qb4 h LYS 605 CO 0.00 0.51 0.21 0.41 -2.27 0.00 0.00 179.45 178.31 1qb4 n GLY 606 N -0.62 4.04 0.00 5.01 0.00 -1.25 -5.05 105.19 107.32 1qb4 n GLY 606 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1qb4 n GLY 606 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qb4 n GLY 607 N -0.50 0.14 3.56 -0.02 0.00 -0.88 -4.61 105.19 102.88 1qb4 n GLY 607 Ca 0.39 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1qb4 n GLY 607 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qb4 s LEU 608 N -1.83 3.86 -0.11 0.99 2.96 -0.41 -4.54 118.68 119.61 1qb4 s LEU 608 Ca 0.00 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1qb4 s LEU 608 Cb 0.00 -2.06 0.04 0.00 0.50 0.00 0.00 46.19 44.67 1qb4 s LEU 608 CO 0.00 -0.02 0.05 -0.60 -1.32 0.00 0.00 176.35 174.46 1qb4 s ARG 609 N 1.59 0.23 0.08 1.98 3.52 -1.26 -0.98 118.95 124.11 1qb4 s ARG 609 Ca 0.07 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1qb4 s ARG 609 Cb -0.15 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.98 1qb4 s ARG 609 CO 0.08 -0.46 -0.06 0.08 -0.81 0.00 0.00 175.30 174.12 1qb4 s VAL 610 N 2.07 0.61 -0.66 7.11 1.01 -1.14 -0.35 120.40 129.05 1qb4 s VAL 610 Ca 0.03 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.14 1qb4 s VAL 610 Cb -0.14 -1.44 0.17 0.00 0.00 0.00 0.00 36.38 34.97 1qb4 s VAL 610 CO -0.06 -0.79 0.59 -0.89 0.00 0.00 0.00 175.10 173.95 1qb4 s THR 611 N -3.20 5.06 -0.11 3.92 2.01 -0.90 -1.22 115.64 121.20 1qb4 s THR 611 Ca 0.07 -2.14 -0.29 0.00 0.31 0.00 0.00 61.69 59.64 1qb4 s THR 611 Cb 0.02 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1qb4 s THR 611 CO -0.04 -0.93 1.40 -1.61 -0.69 0.00 0.00 174.62 172.75 1qb4 s GLU 612 N 0.74 4.22 0.42 4.92 0.41 -0.64 -4.13 118.70 124.65 1qb4 s GLU 612 Ca 0.12 1.86 -0.26 0.00 -0.41 0.00 0.00 54.97 56.27 1qb4 s GLU 612 Cb -0.20 -3.82 -0.09 0.00 -1.78 0.00 0.00 34.13 28.25 1qb4 s GLU 612 CO -0.04 -0.73 1.40 1.14 -0.49 0.00 0.00 175.26 176.54 1qb4 s GLN 613 N 3.55 3.84 0.12 1.61 0.00 -1.26 -3.32 119.66 124.20 1qb4 s GLN 613 Ca 0.62 2.38 -0.25 0.00 -0.00 0.00 0.00 55.36 58.11 1qb4 s GLN 613 Cb -0.26 -2.74 -0.06 0.00 0.00 0.00 0.00 33.01 29.94 1qb4 s GLN 613 CO 0.21 -0.68 1.66 0.78 0.00 0.00 0.00 175.29 177.26 1qb4 h GLY 614 N 2.55 -0.27 1.94 2.60 0.00 -1.68 -2.37 103.07 105.85 1qb4 h GLY 614 Ca -0.50 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qb4 h GLY 614 CO 0.62 -0.18 0.00 1.18 0.00 0.00 0.00 176.54 178.16 1qb4 n GLU 615 N -5.32 0.02 0.00 4.80 4.71 -1.26 -2.43 120.64 121.15 1qb4 n GLU 615 Ca -0.05 0.34 0.08 0.00 -0.01 0.00 0.00 57.16 57.52 1qb4 n GLU 615 Cb 0.24 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.19 1qb4 n GLU 615 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1qb4 n MET 616 N -1.47 1.58 -0.16 3.49 2.81 -0.90 -4.67 117.12 117.80 1qb4 n MET 616 Ca 0.02 -1.02 -0.03 0.00 -1.81 0.00 0.00 57.70 54.86 1qb4 n MET 616 Cb 0.09 -1.29 0.06 0.00 -0.71 0.00 0.00 33.22 31.37 1qb4 n MET 616 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1qb4 h ILE 617 N 2.27 0.88 -0.71 2.02 1.08 -1.37 -0.49 117.51 121.18 1qb4 h ILE 617 Ca 0.00 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.39 1qb4 h ILE 617 Cb 0.60 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.72 1qb4 h ILE 617 CO 0.00 0.08 0.40 -0.09 -0.69 0.00 0.00 178.15 177.85 1qb4 h ARG 618 N 0.41 0.71 0.00 2.37 2.43 -1.83 0.38 114.38 118.85 1qb4 h ARG 618 Ca 0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1qb4 h ARG 618 Cb 0.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1qb4 h ARG 618 CO -0.21 0.47 0.00 0.74 -1.51 0.00 0.00 179.97 179.46 1qb4 h PHE 619 N 0.73 0.00 0.00 2.20 -1.00 -1.65 -0.63 116.94 116.58 1qb4 h PHE 619 Ca 0.32 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.90 1qb4 h PHE 619 Cb 0.22 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 1qb4 h PHE 619 CO -0.07 0.00 -1.78 1.63 -1.61 0.00 0.00 178.31 176.47 1qb4 n LYS 620 N -3.07 1.90 -0.01 1.51 5.02 -0.27 -4.74 118.16 118.51 1qb4 n LYS 620 Ca 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1qb4 n LYS 620 Cb 0.44 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1qb4 n LYS 620 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qb4 n TYR 621 N -2.49 0.00 -0.06 2.13 4.02 0.12 -3.65 117.16 117.23 1qb4 n TYR 621 Ca -0.19 -0.27 0.23 0.00 -0.01 0.00 0.00 57.90 57.66 1qb4 n TYR 621 Cb 0.86 -0.03 0.70 0.00 -0.02 0.00 0.00 39.34 40.85 1qb4 n TYR 621 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1qb4 h GLY 622 N 0.00 0.00 -3.47 2.72 0.00 -0.12 -3.43 103.07 98.77 1qb4 h GLY 622 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1qb4 h GLY 622 CO 0.00 0.00 -0.71 1.08 0.00 0.00 0.00 176.54 176.91 1qb4 s LEU 623 N -8.68 2.44 0.33 3.11 1.43 -1.26 -4.84 118.68 111.22 1qb4 s LEU 623 Ca -0.05 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1qb4 s LEU 623 Cb 0.20 -0.12 0.64 0.00 0.03 0.00 0.00 46.19 46.94 1qb4 s LEU 623 CO 0.75 -0.39 1.94 -0.65 0.23 0.00 0.00 176.35 178.23 1qb4 h PRO 624 N 3.36 0.86 -0.30 1.29 0.11 -1.80 -0.93 132.00 134.59 1qb4 h PRO 624 Ca -0.36 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1qb4 h PRO 624 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1qb4 h PRO 624 CO 0.58 0.57 -0.45 1.49 -0.21 0.00 0.00 178.00 179.99 1qb4 h GLU 625 N 0.89 0.76 -0.66 1.05 4.57 -1.95 -2.02 114.58 117.22 1qb4 h GLU 625 Ca 0.35 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1qb4 h GLU 625 Cb 0.22 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1qb4 h GLU 625 CO -0.12 1.05 0.23 0.82 -1.18 0.00 0.00 179.01 179.81 1qb4 h ILE 626 N 0.61 1.25 -0.77 2.32 2.04 -1.64 -1.46 117.51 119.86 1qb4 h ILE 626 Ca 0.04 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1qb4 h ILE 626 Cb 1.01 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1qb4 h ILE 626 CO 0.10 0.32 0.41 0.74 0.00 0.00 0.00 178.15 179.72 1qb4 h THR 627 N 0.94 0.87 -0.81 -0.27 2.02 -0.93 0.93 112.91 115.66 1qb4 h THR 627 Ca 0.21 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1qb4 h THR 627 Cb 0.26 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1qb4 h THR 627 CO -0.01 0.13 0.42 0.58 0.37 0.00 0.00 175.52 177.01 1qb4 h VAL 628 N 0.69 1.24 0.60 3.16 2.07 -0.76 -0.62 116.25 122.63 1qb4 h VAL 628 Ca 0.37 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1qb4 h VAL 628 Cb 0.37 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1qb4 h VAL 628 CO -0.26 0.28 -0.29 -1.28 0.02 0.00 0.00 177.57 176.04 1qb4 h SER 629 N 1.14 -0.68 -0.30 0.57 0.87 -0.00 -1.14 113.55 114.00 1qb4 h SER 629 Ca 0.28 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 1qb4 h SER 629 Cb 0.06 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 1qb4 h SER 629 CO -0.04 -0.44 -0.14 0.28 -0.53 0.00 0.00 176.83 175.95 1qb4 h SER 630 N -0.87 -0.48 -0.29 6.23 0.02 -0.70 0.12 113.55 117.57 1qb4 h SER 630 Ca -0.08 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1qb4 h SER 630 Cb 0.64 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1qb4 h SER 630 CO 0.14 -0.18 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.43 1qb4 h LEU 631 N -0.10 0.72 -0.34 5.07 3.38 -1.11 -1.96 115.31 120.98 1qb4 h LEU 631 Ca 0.15 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1qb4 h LEU 631 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1qb4 h LEU 631 CO -0.36 0.88 0.03 0.28 0.09 0.00 0.00 178.44 179.36 1qb4 h SER 632 N 0.65 0.55 0.28 -0.43 0.02 -0.57 0.83 113.55 114.89 1qb4 h SER 632 Ca 0.11 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1qb4 h SER 632 Cb 0.61 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1qb4 h SER 632 CO 0.04 0.70 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.15 1qb4 h LEU 633 N 0.39 -0.52 -0.42 5.07 3.38 -0.61 -2.09 115.31 120.51 1qb4 h LEU 633 Ca 0.10 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1qb4 h LEU 633 Cb 0.39 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1qb4 h LEU 633 CO 0.01 -0.32 -0.01 1.88 0.09 0.00 0.00 178.44 180.10 1qb4 h TYR 634 N -0.48 -0.04 -0.67 1.13 0.99 -1.27 -2.38 116.97 114.25 1qb4 h TYR 634 Ca -0.02 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1qb4 h TYR 634 Cb 0.42 0.08 -0.06 0.00 1.00 0.00 0.00 36.73 38.17 1qb4 h TYR 634 CO -0.12 -0.09 0.35 1.15 -0.00 0.00 0.00 178.16 179.45 1qb4 h THR 635 N 0.10 0.92 -0.59 -2.88 2.02 -0.42 -2.05 112.91 110.02 1qb4 h THR 635 Ca 0.21 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1qb4 h THR 635 Cb 0.30 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1qb4 h THR 635 CO -0.35 0.12 0.20 1.23 0.37 0.00 0.00 175.52 177.08 1qb4 h GLY 636 N 0.63 0.97 0.33 2.16 0.00 -0.88 -2.92 103.07 103.37 1qb4 h GLY 636 Ca 0.31 -0.56 0.08 0.00 0.00 0.00 0.00 47.33 47.15 1qb4 h GLY 636 CO -0.21 0.53 0.00 0.00 0.00 0.00 0.00 176.54 176.86 1qb4 h ALA 637 N 1.06 0.38 0.53 3.60 0.00 -1.11 0.53 119.26 124.25 1qb4 h ALA 637 Ca 0.19 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1qb4 h ALA 637 Cb 0.26 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1qb4 h ALA 637 CO -0.01 -0.39 -0.38 0.82 0.00 0.00 0.00 179.25 179.29 1qb4 h ILE 638 N 0.11 0.23 -0.23 0.00 1.08 -1.30 0.12 117.51 117.52 1qb4 h ILE 638 Ca 0.20 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.73 1qb4 h ILE 638 Cb 0.29 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 1qb4 h ILE 638 CO -0.34 0.00 -0.12 -0.07 -0.69 0.00 0.00 178.15 176.93 1qb4 h LEU 639 N -0.88 -0.40 -0.35 1.44 4.07 -1.29 -0.24 115.31 117.66 1qb4 h LEU 639 Ca -0.06 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1qb4 h LEU 639 Cb 0.74 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1qb4 h LEU 639 CO 0.03 -0.16 0.09 -0.08 -1.08 0.00 0.00 178.44 177.24 1qb4 h GLU 640 N -0.10 0.55 -0.77 1.13 4.81 -0.80 -0.78 114.58 118.62 1qb4 h GLU 640 Ca 0.13 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1qb4 h GLU 640 Cb 0.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1qb4 h GLU 640 CO -0.29 0.59 0.51 0.00 -0.73 0.00 0.00 179.01 179.09 1qb4 h ALA 641 N 0.93 1.49 0.05 2.92 0.00 -0.71 0.81 119.26 124.75 1qb4 h ALA 641 Ca 0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1qb4 h ALA 641 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qb4 h ALA 641 CO -0.00 0.45 -1.11 -0.91 0.00 0.00 0.00 179.25 177.68 1qb4 h ASN 642 N 1.00 0.17 0.31 0.00 4.21 -0.84 -3.25 115.58 117.17 1qb4 h ASN 642 Ca 0.29 -0.18 -0.29 0.00 1.21 0.00 0.00 56.30 57.33 1qb4 h ASN 642 Cb -0.05 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.05 1qb4 h ASN 642 CO -0.07 1.14 -1.95 0.18 -1.29 0.00 0.00 177.43 175.44 1qb4 n LEU 643 N -3.42 0.49 -3.71 1.61 4.77 -0.32 -4.68 117.00 111.76 1qb4 n LEU 643 Ca -0.04 0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.90 1qb4 n LEU 643 Cb 0.98 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 42.23 1qb4 n LEU 643 CO 0.50 0.38 -0.08 0.18 -1.33 0.00 0.00 177.39 177.03 1qb4 n LEU 644 N -2.87 2.34 -4.77 2.23 4.77 0.28 -5.09 117.00 113.88 1qb4 n LEU 644 Ca -0.22 -5.06 -0.32 0.00 -0.03 0.00 0.00 56.01 50.38 1qb4 n LEU 644 Cb 1.04 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.76 1qb4 n LEU 644 CO 0.44 1.83 0.73 -2.16 -1.33 0.00 0.00 177.39 176.90 1qb4 s PRO 645 N -1.31 2.62 0.86 3.23 0.04 -1.22 -4.45 135.00 134.77 1qb4 s PRO 645 Ca 0.29 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 1qb4 s PRO 645 Cb 0.01 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1qb4 s PRO 645 CO -0.15 -1.38 1.09 -1.25 0.04 0.00 0.00 177.00 175.35 1qb4 s PRO 646 N -4.37 1.55 0.69 0.56 0.04 -1.26 -5.02 135.00 127.19 1qb4 s PRO 646 Ca 0.65 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 1qb4 s PRO 646 Cb -0.19 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1qb4 s PRO 646 CO 0.46 -2.05 1.06 -1.25 0.04 0.00 0.00 177.00 175.26 1qb4 s PRO 647 N -4.96 2.97 0.25 0.56 0.04 -1.26 -4.75 135.00 127.86 1qb4 s PRO 647 Ca 0.63 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1qb4 s PRO 647 Cb -0.17 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1qb4 s PRO 647 CO 0.56 -1.05 0.80 -2.00 0.04 0.00 0.00 177.00 175.36 1qb4 s GLU 648 N -5.09 4.38 0.52 4.56 2.56 -1.26 -4.97 118.70 119.39 1qb4 s GLU 648 Ca 0.58 1.04 -0.23 0.00 0.00 0.00 0.00 54.97 56.36 1qb4 s GLU 648 Cb -0.13 -2.87 -0.06 0.00 2.00 0.00 0.00 34.13 33.07 1qb4 s GLU 648 CO 0.55 0.36 1.37 -1.25 -0.56 0.00 0.00 175.26 175.73 1qb4 s PRO 649 N -1.96 3.32 0.18 4.30 0.04 -1.26 -4.96 135.00 134.65 1qb4 s PRO 649 Ca 0.45 2.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 1qb4 s PRO 649 Cb -0.18 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 1qb4 s PRO 649 CO 0.22 -1.06 1.31 0.21 0.04 0.00 0.00 177.00 177.72 1qb4 s LYS 650 N -2.77 4.38 0.33 4.56 2.20 -1.26 -4.90 119.74 122.28 1qb4 s LYS 650 Ca 0.68 2.04 0.12 0.00 -0.36 0.00 0.00 55.97 58.45 1qb4 s LYS 650 Cb -0.41 -3.21 0.97 0.00 -1.51 0.00 0.00 37.83 33.67 1qb4 s LYS 650 CO 0.50 -0.28 1.71 1.49 -0.36 0.00 0.00 175.35 178.41 1qb4 h GLU 651 N 5.65 0.48 -0.41 4.03 4.81 -2.01 0.38 114.58 127.50 1qb4 h GLU 651 Ca -0.44 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1qb4 h GLU 651 Cb 1.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1qb4 h GLU 651 CO 0.79 0.32 0.28 0.66 -0.73 0.00 0.00 179.01 180.32 1qb4 h SER 652 N 0.49 0.42 -0.34 1.04 4.64 -2.00 -2.03 113.55 115.78 1qb4 h SER 652 Ca 0.67 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1qb4 h SER 652 Cb 1.39 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1qb4 h SER 652 CO -0.49 0.30 0.22 -0.50 -0.87 0.00 0.00 176.83 175.49 1qb4 h TRP 653 N 0.50 0.42 -0.91 4.77 6.55 -0.60 -0.02 115.95 126.64 1qb4 h TRP 653 Ca 0.16 0.01 0.14 0.00 0.95 0.00 0.00 58.89 60.15 1qb4 h TRP 653 Cb 0.04 -0.14 -0.09 0.00 -0.86 0.00 0.00 29.16 28.11 1qb4 h TRP 653 CO -0.00 0.26 0.53 0.00 -1.05 0.00 0.00 178.44 178.18 1qb4 h ARG 654 N 0.45 0.76 0.00 0.49 3.08 -1.24 0.43 114.38 118.36 1qb4 h ARG 654 Ca 0.13 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1qb4 h ARG 654 Cb -0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1qb4 h ARG 654 CO -0.03 0.51 -0.44 0.00 -1.07 0.00 0.00 179.97 178.93 1qb4 h ARG 655 N 0.79 0.00 -0.27 0.04 3.08 -0.98 0.64 114.38 117.68 1qb4 h ARG 655 Ca 0.48 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.36 1qb4 h ARG 655 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1qb4 h ARG 655 CO -0.32 0.44 -0.50 0.82 -1.07 0.00 0.00 179.97 179.34 1qb4 h ILE 656 N 0.00 1.29 -0.38 2.04 1.08 0.16 -2.95 117.51 118.75 1qb4 h ILE 656 Ca -0.00 -1.70 -0.13 0.00 -0.39 0.00 0.00 64.86 62.63 1qb4 h ILE 656 Cb 1.10 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 1qb4 h ILE 656 CO 0.06 0.55 -0.29 0.24 -0.69 0.00 0.00 178.15 178.02 1qb4 h MET 657 N 0.59 0.86 -0.06 2.37 2.86 -0.21 -1.37 114.93 119.97 1qb4 h MET 657 Ca 0.02 -0.42 0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1qb4 h MET 657 Cb 1.08 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 1qb4 h MET 657 CO 0.11 1.07 -0.22 -0.44 1.06 0.00 0.00 176.91 178.49 1qb4 h ASP 658 N 0.67 -0.66 -0.53 1.22 3.32 -0.90 0.28 116.42 119.81 1qb4 h ASP 658 Ca 0.07 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1qb4 h ASP 658 Cb 0.87 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1qb4 h ASP 658 CO 0.08 -0.28 0.34 -0.08 -1.72 0.00 0.00 179.24 177.58 1qb4 h GLU 659 N -0.32 0.67 -0.11 3.56 4.81 -1.49 0.41 114.58 122.12 1qb4 h GLU 659 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qb4 h GLU 659 Cb 0.43 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1qb4 h GLU 659 CO -0.24 0.44 0.07 -0.07 -0.73 0.00 0.00 179.01 178.48 1qb4 h LEU 660 N 0.69 0.13 -0.89 1.64 3.38 -0.86 0.23 115.31 119.63 1qb4 h LEU 660 Ca 0.20 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1qb4 h LEU 660 Cb -0.04 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1qb4 h LEU 660 CO -0.07 0.12 0.54 -1.28 0.09 0.00 0.00 178.44 177.85 1qb4 h SER 661 N 0.12 0.82 0.04 -0.43 0.87 -0.00 0.20 113.55 115.17 1qb4 h SER 661 Ca 0.04 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1qb4 h SER 661 Cb 0.02 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1qb4 h SER 661 CO -0.01 0.49 -0.02 -0.37 -0.53 0.00 0.00 176.83 176.40 1qb4 h VAL 662 N 0.94 1.34 -0.33 2.23 -1.51 -0.15 -0.78 116.25 117.98 1qb4 h VAL 662 Ca 0.41 -1.34 0.06 0.00 -1.23 0.00 0.00 66.70 64.60 1qb4 h VAL 662 Cb 0.29 2.21 -0.06 0.00 -2.13 0.00 0.00 31.29 31.60 1qb4 h VAL 662 CO -0.21 0.33 -0.03 0.40 -1.23 0.00 0.00 177.57 176.83 1qb4 h ILE 663 N -0.66 0.72 -0.38 7.19 2.04 -0.23 0.22 117.51 126.41 1qb4 h ILE 663 Ca -0.01 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1qb4 h ILE 663 Cb 0.59 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1qb4 h ILE 663 CO 0.01 0.01 0.23 0.77 0.00 0.00 0.00 178.15 179.17 1qb4 h SER 664 N 0.06 0.45 -0.65 1.72 4.64 -0.66 0.22 113.55 119.33 1qb4 h SER 664 Ca 0.16 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1qb4 h SER 664 Cb 0.23 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1qb4 h SER 664 CO -0.30 0.37 0.17 0.00 -0.87 0.00 0.00 176.83 176.20 1qb4 h ASP 666 N 1.00 -0.24 -0.70 0.00 3.58 -0.57 -0.78 116.42 118.70 1qb4 h ASP 666 Ca 0.21 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 1qb4 h ASP 666 Cb 0.33 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 1qb4 h ASP 666 CO -0.00 -0.14 0.16 0.58 -2.88 0.00 0.00 179.24 176.96 1qb4 h VAL 667 N -0.18 1.26 -0.53 2.25 2.07 -0.61 -0.76 116.25 119.74 1qb4 h VAL 667 Ca 0.02 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1qb4 h VAL 667 Cb 0.19 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1qb4 h VAL 667 CO -0.05 0.38 0.28 0.22 0.02 0.00 0.00 177.57 178.42 1qb4 h TYR 668 N 1.06 0.75 0.00 1.57 3.20 -0.66 -1.76 116.97 121.13 1qb4 h TYR 668 Ca 0.22 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1qb4 h TYR 668 Cb 0.39 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1qb4 h TYR 668 CO 0.03 0.56 -0.35 0.00 -1.64 0.00 0.00 178.16 176.76 1qb4 h ARG 669 N 0.72 0.00 -0.03 1.82 3.08 -1.13 -1.89 114.38 116.95 1qb4 h ARG 669 Ca 0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1qb4 h ARG 669 Cb 0.08 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1qb4 h ARG 669 CO -0.03 0.35 -0.38 0.78 -1.07 0.00 0.00 179.97 179.62 1qb4 h GLY 670 N 2.47 -0.67 0.38 0.04 0.00 -0.22 -0.96 103.07 104.11 1qb4 h GLY 670 Ca -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1qb4 h GLY 670 CO 0.05 -0.24 -0.18 -0.97 0.00 0.00 0.00 176.54 175.19 1qb4 h TYR 671 N -0.52 -0.47 -0.29 5.60 -1.99 -1.46 0.89 116.97 118.73 1qb4 h TYR 671 Ca 0.06 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1qb4 h TYR 671 Cb 0.62 0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1qb4 h TYR 671 CO -0.41 -0.29 0.19 0.28 -0.00 0.00 0.00 178.16 177.93 1qb4 h VAL 672 N -0.93 1.08 0.00 -2.88 2.07 -1.41 -3.07 116.25 111.10 1qb4 h VAL 672 Ca -0.05 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 1qb4 h VAL 672 Cb 0.39 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1qb4 h VAL 672 CO 0.09 0.07 -1.40 0.54 0.02 0.00 0.00 177.57 176.89 1qb4 n ARG 673 N -4.88 0.54 -0.09 1.57 1.74 -0.54 -4.70 116.66 110.30 1qb4 n ARG 673 Ca -0.02 0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 57.30 1qb4 n ARG 673 Cb 0.03 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 1qb4 n ARG 673 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qb4 h GLU 674 N -1.00 0.89 -6.51 5.56 5.08 -0.99 -3.44 114.58 114.16 1qb4 h GLU 674 Ca -0.29 -0.53 -0.53 0.00 -1.00 0.00 0.00 59.36 57.02 1qb4 h GLU 674 Cb 1.14 0.05 0.04 0.00 0.50 0.00 0.00 28.75 30.47 1qb4 h GLU 674 CO -0.17 1.17 1.06 1.21 -1.00 0.00 0.00 179.01 181.27 1qb4 s ASN 675 N -6.88 6.48 0.38 1.42 3.84 0.29 -4.90 114.94 115.57 1qb4 s ASN 675 Ca -0.11 2.68 0.14 0.00 0.21 0.00 0.00 52.86 55.78 1qb4 s ASN 675 Cb 0.10 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 39.00 1qb4 s ASN 675 CO 0.88 -0.96 1.83 0.11 -2.79 0.00 0.00 177.10 176.18 1qb4 h LYS 676 N 8.25 0.00 0.00 0.43 6.56 -1.87 -3.10 116.57 126.83 1qb4 h LYS 676 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1qb4 h LYS 676 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1qb4 h LYS 676 CO 0.94 0.36 -0.64 -0.44 -2.06 0.00 0.00 179.45 177.61 1qb4 h ASP 677 N 0.00 0.00 0.06 0.86 3.32 -1.94 -3.42 116.42 115.30 1qb4 h ASP 677 Ca -0.00 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1qb4 h ASP 677 Cb 0.66 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1qb4 h ASP 677 CO 0.05 0.04 -0.35 0.15 -1.72 0.00 0.00 179.24 177.41 1qb4 h PHE 678 N 0.00 -1.01 -0.34 4.55 3.57 -1.81 -0.37 116.94 121.53 1qb4 h PHE 678 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1qb4 h PHE 678 Cb 0.88 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 1qb4 h PHE 678 CO 0.00 -0.38 -0.28 0.28 -2.23 0.00 0.00 178.31 175.70 1qb4 h VAL 679 N -0.47 0.31 -0.80 1.41 2.07 -1.80 0.38 116.25 117.34 1qb4 h VAL 679 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1qb4 h VAL 679 Cb 0.49 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1qb4 h VAL 679 CO -0.20 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.26 1qb4 h PRO 680 N -0.24 0.70 0.66 1.57 0.11 -1.82 -0.88 132.00 132.11 1qb4 h PRO 680 Ca 0.17 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1qb4 h PRO 680 Cb 0.50 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.46 1qb4 h PRO 680 CO -0.48 0.46 -0.32 -0.92 -0.21 0.00 0.00 178.00 176.54 1qb4 h TYR 681 N 0.72 -0.82 -0.79 0.65 3.20 0.97 -3.03 116.97 117.87 1qb4 h TYR 681 Ca 0.37 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.37 1qb4 h TYR 681 Cb 0.46 0.27 -0.15 0.00 1.54 0.00 0.00 36.73 38.86 1qb4 h TYR 681 CO -0.00 -0.48 -0.26 0.35 -1.64 0.00 0.00 178.16 176.13 1qb4 h PHE 682 N -1.12 -0.64 0.00 -3.82 3.57 0.16 0.07 116.94 115.16 1qb4 h PHE 682 Ca -0.09 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1qb4 h PHE 682 Cb 0.72 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1qb4 h PHE 682 CO 0.00 -0.37 -0.15 0.00 -2.23 0.00 0.00 178.31 175.56 1qb4 h ARG 683 N -0.04 0.00 0.00 1.11 3.08 -1.23 -2.81 114.38 114.49 1qb4 h ARG 683 Ca 0.35 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.27 1qb4 h ARG 683 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1qb4 h ARG 683 CO -0.83 0.15 -0.69 0.77 -1.07 0.00 0.00 179.97 178.31 1qb4 h SER 684 N 0.00 0.00 0.50 7.04 0.02 -0.90 -3.41 113.55 116.81 1qb4 h SER 684 Ca -0.00 -0.74 -0.09 0.00 -0.84 0.00 0.00 61.79 60.12 1qb4 h SER 684 Cb 0.36 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1qb4 h SER 684 CO 0.02 1.27 -0.44 0.00 -1.14 0.00 0.00 176.83 176.54 1qb4 h ALA 685 N -0.26 1.21 -2.45 3.77 0.00 -1.30 -3.43 119.26 116.80 1qb4 h ALA 685 Ca -0.19 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1qb4 h ALA 685 Cb 1.17 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1qb4 h ALA 685 CO -0.11 0.55 -0.72 0.95 0.00 0.00 0.00 179.25 179.92 1qb4 s THR 686 N -3.94 2.96 -0.15 0.00 -4.23 -1.06 -4.73 115.64 104.48 1qb4 s THR 686 Ca -0.02 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1qb4 s THR 686 Cb 0.13 -2.54 0.19 0.00 1.34 0.00 0.00 72.50 71.62 1qb4 s THR 686 CO 0.73 -0.31 1.48 -0.81 -0.54 0.00 0.00 174.62 175.17 1qb4 n PRO 687 N -0.51 1.42 -0.06 3.99 -0.04 -1.26 -4.61 135.00 133.92 1qb4 n PRO 687 Ca -0.07 -0.94 -0.08 0.00 -0.04 0.00 0.00 63.50 62.37 1qb4 n PRO 687 Cb 0.58 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1qb4 n PRO 687 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1qb4 h GLU 688 N 0.57 0.03 -0.57 0.54 4.22 -1.86 -0.52 114.58 117.00 1qb4 h GLU 688 Ca 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 1qb4 h GLU 688 Cb 1.40 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1qb4 h GLU 688 CO 0.38 0.02 0.31 0.37 -2.18 0.00 0.00 179.01 177.91 1qb4 h GLN 689 N 0.04 0.80 -0.46 1.92 5.75 -1.85 -2.93 115.11 118.37 1qb4 h GLN 689 Ca 0.12 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1qb4 h GLN 689 Cb 0.16 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1qb4 h GLN 689 CO -0.22 0.61 -0.15 1.05 -2.65 0.00 0.00 178.83 177.47 1qb4 h GLU 690 N 0.77 0.87 -0.02 1.69 9.09 -1.88 -1.32 114.58 123.78 1qb4 h GLU 690 Ca 0.20 -0.33 0.00 0.00 0.05 0.00 0.00 59.36 59.29 1qb4 h GLU 690 Cb 0.05 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1qb4 h GLU 690 CO -0.03 0.96 0.02 -0.07 0.05 0.00 0.00 179.01 179.94 1qb4 h LEU 691 N 0.77 0.00 0.08 3.06 4.07 -0.91 -1.07 115.31 121.31 1qb4 h LEU 691 Ca 0.12 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 1qb4 h LEU 691 Cb 0.68 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.42 1qb4 h LEU 691 CO 0.05 0.00 -0.62 1.23 -1.08 0.00 0.00 178.44 178.02 1qb4 h GLY 692 N 0.00 0.19 0.57 0.83 0.00 -1.28 -3.40 103.07 99.97 1qb4 h GLY 692 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1qb4 h GLY 692 CO -0.00 0.42 -0.15 0.50 0.00 0.00 0.00 176.54 177.31 1qb4 h LYS 693 N -0.64 -0.40 -6.56 4.80 1.57 -0.41 -3.06 116.57 111.87 1qb4 h LYS 693 Ca -0.12 0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.13 1qb4 h LYS 693 Cb 1.40 0.09 0.20 0.00 0.08 0.00 0.00 32.23 34.00 1qb4 h LYS 693 CO 0.06 -0.07 -0.74 1.28 -0.57 0.00 0.00 179.45 179.41 1qb4 n LEU 694 N -5.10 -0.90 -3.16 2.94 4.77 -0.49 -4.82 117.00 110.24 1qb4 n LEU 694 Ca -0.09 0.44 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 1qb4 n LEU 694 Cb 0.27 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.19 1qb4 n LEU 694 CO 0.28 -3.86 3.17 -0.81 -1.33 0.00 0.00 177.39 174.84 1qb4 n PRO 695 N -0.42 3.53 -0.05 3.23 -0.04 -1.26 -4.64 135.00 135.35 1qb4 n PRO 695 Ca 0.07 -2.09 -0.02 0.00 -0.04 0.00 0.00 63.50 61.42 1qb4 n PRO 695 Cb 0.52 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.27 1qb4 n PRO 695 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1qb4 h LEU 696 N 6.71 0.00 0.00 1.53 3.38 -1.86 -3.41 115.31 121.67 1qb4 h LEU 696 Ca 0.79 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.41 1qb4 h LEU 696 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1qb4 h LEU 696 CO 1.59 0.48 -0.13 0.61 0.09 0.00 0.00 178.44 181.08 1qb4 n GLY 697 N 1.74 2.50 0.17 0.83 0.00 -1.25 -4.50 105.19 104.68 1qb4 n GLY 697 Ca -0.03 -2.23 0.13 0.00 0.00 0.00 0.00 46.02 43.89 1qb4 n GLY 697 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qb4 h SER 698 N 0.28 0.00 -4.02 1.61 4.64 -1.94 -3.38 113.55 110.75 1qb4 h SER 698 Ca -0.21 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.58 1qb4 h SER 698 Cb 0.82 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.02 1qb4 h SER 698 CO 0.31 0.00 0.58 -0.13 -0.87 0.00 0.00 176.83 176.73 1qb4 s ARG 699 N -3.21 3.46 0.70 4.77 0.52 -1.26 -4.81 118.95 119.12 1qb4 s ARG 699 Ca 0.08 2.11 -0.17 0.00 -0.52 0.00 0.00 55.73 57.24 1qb4 s ARG 699 Cb 0.08 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1qb4 s ARG 699 CO 0.62 -0.89 1.16 -0.35 0.02 0.00 0.00 175.30 175.86 1qb4 n PRO 700 N -0.66 0.75 -1.68 3.54 -0.04 -1.26 -4.88 135.00 130.77 1qb4 n PRO 700 Ca 0.08 0.32 -0.51 0.00 -0.04 0.00 0.00 63.50 63.35 1qb4 n PRO 700 Cb 0.45 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 1qb4 n PRO 700 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qb4 n ALA 701 N -2.34 0.45 0.00 0.55 0.00 -1.26 -5.04 120.51 112.87 1qb4 n ALA 701 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1qb4 n ALA 701 Cb 0.49 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1qb4 n ALA 701 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1qb4 n LYS 702 N 5.20 0.00 0.00 0.00 2.85 -1.16 -4.97 118.16 120.08 1qb4 n LYS 702 Ca 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1qb4 n LYS 702 Cb 0.24 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.62 1qb4 n LYS 702 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1qb4 n VAL 709 N 0.00 0.00 0.08 0.58 0.31 -1.26 -5.32 118.33 112.72 1qb4 n VAL 709 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1qb4 n VAL 709 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1qb4 n VAL 709 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1qb4 h GLU 710 N 0.00 0.05 0.15 5.55 5.08 -1.98 -3.27 114.58 120.16 1qb4 h GLU 710 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1qb4 h GLU 710 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1qb4 h GLU 710 CO 0.00 0.96 -0.21 0.77 -1.00 0.00 0.00 179.01 179.52 1qb4 h SER 711 N 0.02 -0.58 -2.53 1.42 0.02 -2.06 -3.45 113.55 106.39 1qb4 h SER 711 Ca -0.02 0.06 -0.50 0.00 -0.84 0.00 0.00 61.79 60.49 1qb4 h SER 711 Cb 1.65 0.21 0.23 0.00 0.14 0.00 0.00 62.40 64.64 1qb4 h SER 711 CO 0.13 -0.30 -1.17 0.18 -1.14 0.00 0.00 176.83 174.53 1qb4 n LEU 712 N -5.34 -2.06 -4.58 5.07 4.32 -1.23 -5.06 117.00 108.12 1qb4 n LEU 712 Ca -0.07 0.09 -0.24 0.00 -0.02 0.00 0.00 56.01 55.77 1qb4 n LEU 712 Cb 0.25 -0.98 -0.09 0.00 -1.62 0.00 0.00 43.42 40.99 1qb4 n LEU 712 CO 0.28 -3.57 -0.37 -0.13 -1.22 0.00 0.00 177.39 172.37 1qb4 s ARG 713 N -3.19 2.02 0.15 3.23 0.52 -1.26 -4.99 118.95 115.42 1qb4 s ARG 713 Ca 0.52 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 1qb4 s ARG 713 Cb -0.13 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1qb4 s ARG 713 CO 0.69 0.29 1.56 0.00 0.02 0.00 0.00 175.30 177.86 1qb4 h ALA 714 N 2.00 -0.57 -0.25 2.13 0.00 -1.96 -1.68 119.26 118.93 1qb4 h ALA 714 Ca -0.42 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1qb4 h ALA 714 Cb 1.25 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 1qb4 h ALA 714 CO 0.62 -0.94 -0.24 0.82 0.00 0.00 0.00 179.25 179.51 1qb4 h ILE 715 N -0.34 0.00 -0.17 0.00 1.08 -1.96 0.26 117.51 116.38 1qb4 h ILE 715 Ca 0.12 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.64 1qb4 h ILE 715 Cb 0.59 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1qb4 h ILE 715 CO -0.60 0.00 0.13 1.55 -0.69 0.00 0.00 178.15 178.54 1qb4 h PRO 716 N -0.11 0.00 0.28 2.37 0.13 -1.95 0.52 132.00 133.23 1qb4 h PRO 716 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1qb4 h PRO 716 Cb 0.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1qb4 h PRO 716 CO -0.29 0.00 -0.13 2.35 -0.23 0.00 0.00 178.00 179.69 1qb4 h TRP 717 N 0.00 -0.34 0.04 1.56 -0.00 0.33 -2.67 115.95 114.87 1qb4 h TRP 717 Ca 0.08 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1qb4 h TRP 717 Cb 0.34 0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1qb4 h TRP 717 CO 0.00 0.01 -0.03 0.82 -0.00 0.00 0.00 178.44 179.25 1qb4 h ILE 718 N -0.85 0.94 -0.58 2.65 2.04 -0.01 -2.90 117.51 118.80 1qb4 h ILE 718 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1qb4 h ILE 718 Cb 0.51 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1qb4 h ILE 718 CO 0.06 0.00 0.33 -0.26 0.00 0.00 0.00 178.15 178.28 1qb4 h PHE 719 N -0.07 0.61 -0.70 1.37 -1.00 -0.08 -0.83 116.94 116.24 1qb4 h PHE 719 Ca -0.00 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1qb4 h PHE 719 Cb 0.06 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1qb4 h PHE 719 CO -0.08 0.32 0.42 0.00 -1.61 0.00 0.00 178.31 177.36 1qb4 h ALA 720 N 1.28 0.89 0.00 2.45 0.00 -1.44 -1.78 119.26 120.66 1qb4 h ALA 720 Ca 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1qb4 h ALA 720 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qb4 h ALA 720 CO -0.14 0.37 -0.57 -1.49 0.00 0.00 0.00 179.25 177.43 1qb4 h TRP 721 N 0.96 0.00 -0.62 0.00 4.06 -1.19 -3.08 115.95 116.08 1qb4 h TRP 721 Ca 0.25 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.11 1qb4 h TRP 721 Cb -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1qb4 h TRP 721 CO -0.01 0.57 0.04 1.15 -3.56 0.00 0.00 178.44 176.62 1qb4 h THR 722 N 0.00 1.26 -0.16 1.49 2.02 -0.59 -2.33 112.91 114.60 1qb4 h THR 722 Ca -0.01 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 1qb4 h THR 722 Cb 1.20 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1qb4 h THR 722 CO 0.07 0.41 -0.23 1.56 0.37 0.00 0.00 175.52 177.70 1qb4 h GLN 723 N 0.98 0.29 0.00 6.66 1.08 -1.26 -2.34 115.11 120.52 1qb4 h GLN 723 Ca 0.18 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1qb4 h GLN 723 Cb 0.51 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1qb4 h GLN 723 CO 0.02 0.51 -0.33 -0.97 -0.95 0.00 0.00 178.83 177.11 1qb4 h ASN 724 N 0.26 0.00 0.00 1.46 -0.00 -1.46 -3.48 115.58 112.36 1qb4 h ASN 724 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 1qb4 h ASN 724 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 1qb4 h ASN 724 CO 0.04 0.33 0.00 0.54 -0.00 0.00 0.00 177.43 178.34 1qb4 n ARG 725 N -3.27 0.00 0.10 6.67 5.12 -0.88 -3.41 116.66 120.99 1qb4 n ARG 725 Ca 0.02 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.89 1qb4 n ARG 725 Cb 0.60 -1.41 0.05 0.00 -1.16 0.00 0.00 32.46 30.54 1qb4 n ARG 725 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1qb4 h LEU 726 N 0.00 0.10 1.62 0.55 5.85 -1.80 0.11 115.31 121.74 1qb4 h LEU 726 Ca 0.00 -0.07 -0.38 0.00 0.84 0.00 0.00 57.88 58.26 1qb4 h LEU 726 Cb 0.00 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 1qb4 h LEU 726 CO 0.00 0.83 -0.41 0.23 -0.34 0.00 0.00 178.44 178.75 1qb4 n MET 727 N -3.67 -1.40 -0.31 1.25 2.81 -1.15 -4.85 117.12 109.80 1qb4 n MET 727 Ca -0.02 1.07 -0.04 0.00 -1.81 0.00 0.00 57.70 56.90 1qb4 n MET 727 Cb 0.74 -5.47 -0.02 0.00 -0.71 0.00 0.00 33.22 27.76 1qb4 n MET 727 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1qb4 n LEU 728 N -2.38 -0.65 -0.35 4.03 -0.00 -1.26 -1.44 117.00 114.95 1qb4 n LEU 728 Ca -0.20 1.38 0.17 0.00 -0.00 0.00 0.00 56.01 57.36 1qb4 n LEU 728 Cb 0.64 -0.26 0.39 0.00 -0.00 0.00 0.00 43.42 44.19 1qb4 n LEU 728 CO 0.28 -1.19 1.17 -0.65 -0.00 0.00 0.00 177.39 176.99 1qb4 h PRO 729 N 0.00 0.57 -0.00 1.96 0.11 -1.91 -2.79 132.00 129.94 1qb4 h PRO 729 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1qb4 h PRO 729 Cb 0.41 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1qb4 h PRO 729 CO -0.76 0.38 -0.05 0.00 -0.21 0.00 0.00 178.00 177.35 1qb4 n ALA 730 N -2.32 2.66 0.00 -0.75 0.00 -0.52 -4.47 120.51 115.11 1qb4 n ALA 730 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1qb4 n ALA 730 Cb 0.74 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1qb4 n ALA 730 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1qb4 n TRP 731 N -1.00 0.00 0.00 0.00 4.27 -1.07 -4.88 117.44 114.75 1qb4 n TRP 731 Ca 0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 1qb4 n TRP 731 Cb 0.24 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.19 1qb4 n TRP 731 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1qb4 n LEU 732 N -1.58 0.00 0.03 5.67 0.00 -1.08 -1.48 117.00 118.56 1qb4 n LEU 732 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.12 1qb4 n LEU 732 Cb 0.11 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.59 1qb4 n LEU 732 CO 0.00 0.00 0.09 0.61 0.00 0.00 0.00 177.39 178.09 1qb4 n GLY 733 N -0.08 -1.23 0.17 -3.96 0.00 -1.26 -4.54 105.19 94.29 1qb4 n GLY 733 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1qb4 n GLY 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qb4 h ALA 734 N 2.60 -0.38 -0.99 4.61 0.00 -1.55 -2.06 119.26 121.49 1qb4 h ALA 734 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1qb4 h ALA 734 Cb 0.70 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 1qb4 h ALA 734 CO 0.00 -0.50 0.63 0.78 0.00 0.00 0.00 179.25 180.15 1qb4 h GLY 735 N -0.09 1.54 0.78 0.00 0.00 -1.80 -2.00 103.07 101.49 1qb4 h GLY 735 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1qb4 h GLY 735 CO -0.29 0.27 0.25 -0.84 0.00 0.00 0.00 176.54 175.94 1qb4 h THR 736 N 1.10 0.98 -0.69 4.70 2.02 -1.66 -0.58 112.91 118.78 1qb4 h THR 736 Ca 0.45 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 1qb4 h THR 736 Cb 0.27 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1qb4 h THR 736 CO -0.20 0.09 0.16 0.00 0.37 0.00 0.00 175.52 175.93 1qb4 h ALA 737 N 1.25 0.96 -0.22 6.16 0.00 -1.05 -2.96 119.26 123.40 1qb4 h ALA 737 Ca 0.21 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1qb4 h ALA 737 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1qb4 h ALA 737 CO -0.13 0.66 -0.26 -0.07 0.00 0.00 0.00 179.25 179.45 1qb4 h LEU 738 N 1.06 0.42 -0.43 0.00 3.38 -0.54 -2.83 115.31 116.37 1qb4 h LEU 738 Ca 0.22 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1qb4 h LEU 738 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1qb4 h LEU 738 CO 0.00 0.68 -0.38 -0.61 0.09 0.00 0.00 178.44 178.23 1qb4 h GLN 739 N 0.38 0.90 -0.41 1.13 4.15 -1.09 -2.74 115.11 117.42 1qb4 h GLN 739 Ca 0.06 -0.47 -0.01 0.00 0.77 0.00 0.00 58.65 58.99 1qb4 h GLN 739 Cb 0.66 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1qb4 h GLN 739 CO 0.05 1.12 0.21 -0.22 -1.93 0.00 0.00 178.83 178.06 1qb4 h LYS 740 N 0.74 0.58 -0.03 1.69 1.63 -1.47 -0.56 116.57 119.14 1qb4 h LYS 740 Ca 0.06 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 1qb4 h LYS 740 Cb 0.97 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 1qb4 h LYS 740 CO 0.09 0.49 -0.36 0.28 -3.45 0.00 0.00 179.45 176.50 1qb4 h VAL 741 N 0.52 1.27 -0.41 2.00 2.07 -1.48 -1.92 116.25 118.31 1qb4 h VAL 741 Ca 0.14 -1.28 -0.15 0.00 0.82 0.00 0.00 66.70 66.23 1qb4 h VAL 741 Cb 0.09 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1qb4 h VAL 741 CO -0.02 0.37 -0.31 0.58 0.02 0.00 0.00 177.57 178.21 1qb4 h VAL 742 N 0.05 1.27 0.00 2.57 2.07 -1.13 -2.73 116.25 118.35 1qb4 h VAL 742 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1qb4 h VAL 742 Cb 0.67 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1qb4 h VAL 742 CO 0.05 0.50 0.00 -0.62 0.02 0.00 0.00 177.57 177.52 1qb4 n GLU 743 N -4.11 0.18 -0.03 1.57 1.02 -0.26 0.60 120.64 119.61 1qb4 n GLU 743 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1qb4 n GLU 743 Cb 0.51 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 30.76 1qb4 n GLU 743 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qb4 n ASP 744 N -0.70 1.88 -0.12 1.62 8.00 -1.10 -4.97 116.55 121.16 1qb4 n ASP 744 Ca 0.02 -1.69 -0.02 0.00 0.71 0.00 0.00 54.79 53.81 1qb4 n ASP 744 Cb 0.01 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1qb4 n ASP 744 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qb4 n GLY 745 N -0.10 0.50 0.64 0.44 0.00 0.20 -4.91 105.19 101.95 1qb4 n GLY 745 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1qb4 n GLY 745 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qb4 n LYS 746 N -2.31 1.82 -0.26 1.61 4.76 -1.05 -4.33 118.16 118.40 1qb4 n LYS 746 Ca -0.02 -1.18 0.19 0.00 -2.87 0.00 0.00 58.31 54.44 1qb4 n LYS 746 Cb 0.13 -1.30 0.50 0.00 -1.84 0.00 0.00 35.03 32.53 1qb4 n LYS 746 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1qb4 h GLN 747 N 1.88 0.41 0.00 1.97 4.15 -1.76 0.31 115.11 122.07 1qb4 h GLN 747 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1qb4 h GLN 747 Cb 0.49 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1qb4 h GLN 747 CO 0.02 0.27 -0.22 0.77 -1.93 0.00 0.00 178.83 177.74 1qb4 h SER 748 N 0.42 0.00 0.40 -0.69 0.02 -1.97 -0.15 113.55 111.58 1qb4 h SER 748 Ca 0.50 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.13 1qb4 h SER 748 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1qb4 h SER 748 CO -0.20 0.22 -1.55 -0.33 -1.14 0.00 0.00 176.83 173.82 1qb4 h GLU 749 N 0.00 0.31 -0.75 3.45 4.39 -1.28 -2.82 114.58 117.86 1qb4 h GLU 749 Ca -0.00 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.13 1qb4 h GLU 749 Cb 0.47 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1qb4 h GLU 749 CO 0.03 1.19 0.30 -0.07 -1.16 0.00 0.00 179.01 179.30 1qb4 h LEU 750 N 0.08 1.04 -1.18 1.33 3.38 -1.02 0.41 115.31 119.36 1qb4 h LEU 750 Ca -0.26 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1qb4 h LEU 750 Cb 2.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1qb4 h LEU 750 CO 0.18 0.93 -0.36 -0.33 0.09 0.00 0.00 178.44 178.95 1qb4 h GLU 751 N 1.09 0.09 -0.11 1.13 5.08 -1.08 -1.70 114.58 119.08 1qb4 h GLU 751 Ca 0.25 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.35 1qb4 h GLU 751 Cb 0.21 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1qb4 h GLU 751 CO -0.02 0.44 -0.82 0.00 -1.00 0.00 0.00 179.01 177.61 1qb4 h ALA 752 N 1.56 0.34 -0.68 3.43 0.00 -1.12 -1.18 119.26 121.61 1qb4 h ALA 752 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1qb4 h ALA 752 Cb 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1qb4 h ALA 752 CO 0.05 0.70 0.38 0.52 0.00 0.00 0.00 179.25 180.90 1qb4 h MET 753 N 0.46 0.94 -0.07 0.00 2.86 -0.72 0.38 114.93 118.79 1qb4 h MET 753 Ca -0.06 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1qb4 h MET 753 Cb 1.44 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1qb4 h MET 753 CO 0.16 0.70 0.01 0.00 1.06 0.00 0.00 176.91 178.85 1qb4 h ARG 755 N -0.12 0.00 -0.02 0.00 3.08 -1.01 -3.37 114.38 112.95 1qb4 h ARG 755 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1qb4 h ARG 755 Cb 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1qb4 h ARG 755 CO 0.00 0.42 -0.19 -0.25 -1.07 0.00 0.00 179.97 178.88 1qb4 n ASP 756 N -4.89 2.15 -4.05 7.04 8.00 0.13 -4.82 116.55 120.11 1qb4 n ASP 756 Ca -0.08 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.50 1qb4 n ASP 756 Cb 0.22 0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.34 1qb4 n ASP 756 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1qb4 s TRP 757 N -2.22 3.54 0.22 1.24 -0.00 0.20 -4.89 118.94 117.02 1qb4 s TRP 757 Ca 0.26 -2.65 -0.10 0.00 -0.00 0.00 0.00 56.10 53.62 1qb4 s TRP 757 Cb 0.19 -2.52 0.33 0.00 -0.00 0.00 0.00 33.47 31.48 1qb4 s TRP 757 CO 0.42 -0.92 1.67 -1.35 -0.00 0.00 0.00 176.95 176.78 1qb4 h PRO 758 N 7.72 0.16 -0.82 5.86 0.11 -1.86 0.50 132.00 143.66 1qb4 h PRO 758 Ca -0.11 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.18 1qb4 h PRO 758 Cb 1.03 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 1qb4 h PRO 758 CO 0.51 0.10 0.26 0.35 -0.21 0.00 0.00 178.00 179.01 1qb4 h PHE 759 N 0.16 0.42 -0.00 0.65 3.57 -1.93 -1.00 116.94 118.81 1qb4 h PHE 759 Ca 0.34 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.71 1qb4 h PHE 759 Cb 0.55 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.25 1qb4 h PHE 759 CO -0.33 -0.09 -0.69 0.35 -2.23 0.00 0.00 178.31 175.32 1qb4 h PHE 760 N 0.31 0.70 -0.57 0.41 3.57 -1.18 -1.34 116.94 118.84 1qb4 h PHE 760 Ca 0.49 -0.38 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1qb4 h PHE 760 Cb 0.89 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1qb4 h PHE 760 CO -0.22 1.20 -0.03 0.66 -2.23 0.00 0.00 178.31 177.69 1qb4 h SER 761 N 0.01 1.01 -0.84 0.41 4.64 -0.80 -1.17 113.55 116.81 1qb4 h SER 761 Ca -0.09 -0.32 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1qb4 h SER 761 Cb 1.39 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 1qb4 h SER 761 CO 0.14 1.09 0.53 0.74 -0.87 0.00 0.00 176.83 178.46 1qb4 h THR 762 N 0.91 1.10 -0.56 2.95 2.02 -1.27 0.94 112.91 119.00 1qb4 h THR 762 Ca 0.16 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1qb4 h THR 762 Cb 0.59 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1qb4 h THR 762 CO 0.04 0.18 0.09 -0.09 0.37 0.00 0.00 175.52 176.11 1qb4 h ARG 763 N 1.01 0.90 0.00 6.66 9.65 -0.67 -2.36 114.38 129.57 1qb4 h ARG 763 Ca 0.34 -0.21 -0.18 0.00 -1.10 0.00 0.00 59.98 58.83 1qb4 h ARG 763 Cb 0.06 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1qb4 h ARG 763 CO -0.13 0.83 -0.87 -0.07 2.80 0.00 0.00 179.97 182.53 1qb4 h LEU 764 N 0.85 0.03 0.36 3.80 3.38 -0.12 -3.23 115.31 120.38 1qb4 h LEU 764 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qb4 h LEU 764 Cb 0.37 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qb4 h LEU 764 CO 0.01 0.88 -0.43 1.23 0.09 0.00 0.00 178.44 180.22 1qb4 h GLY 765 N 2.51 -0.99 -0.05 0.83 0.00 0.14 -2.28 103.07 103.23 1qb4 h GLY 765 Ca -0.01 0.50 0.28 0.00 0.00 0.00 0.00 47.33 48.10 1qb4 h GLY 765 CO 0.11 -0.32 0.71 1.98 0.00 0.00 0.00 176.54 179.03 1qb4 h MET 766 N -0.82 0.13 -0.12 4.80 1.85 -1.53 0.16 114.93 119.40 1qb4 h MET 766 Ca -0.03 -0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 58.89 1qb4 h MET 766 Cb 0.75 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.74 1qb4 h MET 766 CO -0.11 0.08 -0.63 -0.07 -0.40 0.00 0.00 176.91 175.79 1qb4 h LEU 767 N 0.13 0.50 -0.43 3.39 -0.00 -1.43 -3.00 115.31 114.47 1qb4 h LEU 767 Ca 0.51 -0.29 0.07 0.00 -0.00 0.00 0.00 57.88 58.17 1qb4 h LEU 767 Cb 1.79 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 42.24 1qb4 h LEU 767 CO -0.09 1.00 0.07 -0.33 -0.00 0.00 0.00 178.44 179.09 1qb4 h GLU 768 N 0.32 0.19 -0.58 1.13 5.08 -0.47 0.51 114.58 120.76 1qb4 h GLU 768 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1qb4 h GLU 768 Cb 1.17 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1qb4 h GLU 768 CO 0.11 0.13 0.11 1.98 -1.00 0.00 0.00 179.01 180.34 1qb4 h MET 769 N 0.20 0.95 -0.40 2.33 4.05 -1.58 0.76 114.93 121.23 1qb4 h MET 769 Ca 0.21 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1qb4 h MET 769 Cb 0.27 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1qb4 h MET 769 CO -0.29 0.90 0.04 0.28 0.23 0.00 0.00 176.91 178.07 1qb4 h VAL 770 N 0.85 1.25 -0.23 -5.77 2.07 -1.24 -1.27 116.25 111.91 1qb4 h VAL 770 Ca 0.18 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1qb4 h VAL 770 Cb 0.39 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1qb4 h VAL 770 CO 0.01 0.31 -0.14 -0.26 0.02 0.00 0.00 177.57 177.51 1qb4 h PHE 771 N 0.51 0.42 -0.08 1.57 0.04 0.34 -0.49 116.94 119.24 1qb4 h PHE 771 Ca 0.12 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1qb4 h PHE 771 Cb 0.40 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1qb4 h PHE 771 CO 0.03 0.52 -0.16 0.00 -0.60 0.00 0.00 178.31 178.10 1qb4 h ALA 772 N 1.50 1.58 0.00 2.45 0.00 0.16 -3.17 119.26 121.78 1qb4 h ALA 772 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qb4 h ALA 772 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qb4 h ALA 772 CO 0.03 0.31 -1.87 1.63 0.00 0.00 0.00 179.25 179.35 1qb4 n LYS 773 N -4.28 0.65 -0.70 0.00 5.02 -0.71 -4.96 118.16 113.17 1qb4 n LYS 773 Ca -0.01 -0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 1qb4 n LYS 773 Cb 0.27 -1.56 0.18 0.00 -0.02 0.00 0.00 35.03 33.90 1qb4 n LYS 773 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qb4 s ALA 774 N -3.50 1.01 -0.28 7.82 0.00 -0.22 -5.01 121.76 121.58 1qb4 s ALA 774 Ca -0.07 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1qb4 s ALA 774 Cb 0.13 -3.38 0.17 0.00 0.00 0.00 0.00 23.12 20.04 1qb4 s ALA 774 CO 0.89 -2.98 0.49 0.34 0.00 0.00 0.00 175.76 174.50 1qb4 s ASP 775 N -2.69 -0.54 0.52 0.00 -1.08 0.02 -5.00 116.67 107.90 1qb4 s ASP 775 Ca 0.67 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 53.11 1qb4 s ASP 775 Cb -0.23 1.56 1.30 0.00 -1.46 0.00 0.00 42.92 44.10 1qb4 s ASP 775 CO 0.60 -0.31 1.97 -0.07 0.52 0.00 0.00 175.17 177.88 1qb4 h LEU 776 N 8.09 0.00 0.13 -1.34 3.38 -1.95 0.15 115.31 123.78 1qb4 h LEU 776 Ca -0.11 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.56 1qb4 h LEU 776 Cb 1.15 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.93 1qb4 h LEU 776 CO 0.23 0.10 -1.26 -0.25 0.09 0.00 0.00 178.44 177.36 1qb4 h TRP 777 N 0.00 1.01 -0.10 1.13 7.01 -1.97 -2.50 115.95 120.54 1qb4 h TRP 777 Ca -0.00 -0.64 -0.02 0.00 2.11 0.00 0.00 58.89 60.33 1qb4 h TRP 777 Cb 0.52 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1qb4 h TRP 777 CO 0.00 1.48 -0.03 -0.07 -2.79 0.00 0.00 178.44 177.04 1qb4 h LEU 778 N 0.25 0.19 -0.57 0.65 3.38 -1.84 -2.11 115.31 115.25 1qb4 h LEU 778 Ca -0.19 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.52 1qb4 h LEU 778 Cb 1.93 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 1qb4 h LEU 778 CO 0.24 0.52 -0.03 0.00 0.09 0.00 0.00 178.44 179.26 1qb4 h ALA 779 N 0.67 0.52 -0.05 1.53 0.00 -0.98 0.21 119.26 121.15 1qb4 h ALA 779 Ca 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1qb4 h ALA 779 Cb 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1qb4 h ALA 779 CO 0.01 -0.40 -0.18 1.49 0.00 0.00 0.00 179.25 180.16 1qb4 h GLU 780 N 0.09 0.09 -0.25 0.00 4.81 -1.39 -2.53 114.58 115.39 1qb4 h GLU 780 Ca 0.29 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1qb4 h GLU 780 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1qb4 h GLU 780 CO -0.51 0.27 -0.40 -0.92 -0.73 0.00 0.00 179.01 176.72 1qb4 h TYR 781 N 0.08 0.71 -0.06 0.92 3.20 0.08 -2.16 116.97 119.75 1qb4 h TYR 781 Ca 0.02 -0.21 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 1qb4 h TYR 781 Cb 0.38 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1qb4 h TYR 781 CO 0.00 0.91 -0.49 1.88 -1.64 0.00 0.00 178.16 178.82 1qb4 h TYR 782 N 0.49 0.19 -0.29 -3.82 -1.99 -0.87 -2.12 116.97 108.57 1qb4 h TYR 782 Ca 0.04 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 1qb4 h TYR 782 Cb 0.91 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1qb4 h TYR 782 CO 0.04 0.62 -0.03 -0.44 -0.00 0.00 0.00 178.16 178.35 1qb4 h ASP 783 N 0.13 0.53 -0.27 3.88 5.19 -1.32 0.52 116.42 125.08 1qb4 h ASP 783 Ca 0.01 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1qb4 h ASP 783 Cb 0.91 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1qb4 h ASP 783 CO 0.07 0.74 0.15 1.56 -3.12 0.00 0.00 179.24 178.63 1qb4 h GLN 784 N 0.31 0.41 0.03 3.56 4.20 -1.10 0.37 115.11 122.88 1qb4 h GLN 784 Ca 0.08 -0.04 -0.37 0.00 0.06 0.00 0.00 58.65 58.38 1qb4 h GLN 784 Cb 0.48 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 1qb4 h GLN 784 CO 0.02 0.32 -2.26 0.54 -0.67 0.00 0.00 178.83 176.78 1qb4 n ARG 785 N -4.44 0.68 -0.02 1.46 5.12 -0.82 -4.74 116.66 113.91 1qb4 n ARG 785 Ca 0.01 0.16 0.04 0.00 -1.93 0.00 0.00 57.85 56.13 1qb4 n ARG 785 Cb 0.11 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 1qb4 n ARG 785 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1qb4 n LEU 786 N -3.18 0.00 -4.85 0.55 4.77 0.18 -4.95 117.00 109.52 1qb4 n LEU 786 Ca -0.37 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1qb4 n LEU 786 Cb 1.05 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 42.13 1qb4 n LEU 786 CO 0.36 0.06 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.60 1qb4 s VAL 787 N -2.75 5.34 0.30 4.08 1.01 0.13 -4.75 120.40 123.76 1qb4 s VAL 787 Ca -0.05 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1qb4 s VAL 787 Cb 0.07 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1qb4 s VAL 787 CO 0.51 0.62 1.42 -0.62 0.00 0.00 0.00 175.10 177.03 1qb4 s ASP 788 N -1.00 6.62 0.38 3.32 2.15 -1.26 -4.70 116.67 122.16 1qb4 s ASP 788 Ca 0.15 2.76 0.21 0.00 0.43 0.00 0.00 52.55 56.10 1qb4 s ASP 788 Cb -0.12 -2.64 1.32 0.00 -0.30 0.00 0.00 42.92 41.18 1qb4 s ASP 788 CO 0.04 -0.70 1.60 0.11 -0.17 0.00 0.00 175.17 176.05 1qb4 h LYS 789 N 4.15 0.07 0.00 4.34 1.57 -1.97 0.32 116.57 125.05 1qb4 h LYS 789 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1qb4 h LYS 789 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1qb4 h LYS 789 CO 0.72 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1qb4 h ALA 790 N 1.90 1.00 -0.01 3.86 0.00 -2.02 -2.57 119.26 121.42 1qb4 h ALA 790 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1qb4 h ALA 790 Cb 2.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1qb4 h ALA 790 CO -0.68 0.00 -0.50 1.28 0.00 0.00 0.00 179.25 179.35 1qb4 n LEU 791 N -2.71 1.24 -0.25 0.00 4.77 0.11 -4.35 117.00 115.81 1qb4 n LEU 791 Ca 0.01 -0.41 0.01 0.00 -0.03 0.00 0.00 56.01 55.59 1qb4 n LEU 791 Cb 0.24 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1qb4 n LEU 791 CO 0.23 0.25 1.08 -0.50 -1.33 0.00 0.00 177.39 177.11 1qb4 h TRP 792 N 1.16 0.66 -0.84 -1.77 6.55 -1.45 -2.31 115.95 117.94 1qb4 h TRP 792 Ca 0.00 0.03 0.10 0.00 0.95 0.00 0.00 58.89 59.97 1qb4 h TRP 792 Cb 0.58 -0.19 -0.08 0.00 -0.86 0.00 0.00 29.16 28.62 1qb4 h TRP 792 CO 0.00 0.25 0.48 -1.35 -1.05 0.00 0.00 178.44 176.77 1qb4 h PRO 793 N 0.63 0.77 -0.85 0.49 0.11 -1.78 -1.03 132.00 130.34 1qb4 h PRO 793 Ca 0.35 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 1qb4 h PRO 793 Cb 0.36 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1qb4 h PRO 793 CO -0.26 0.51 0.48 1.25 -0.21 0.00 0.00 178.00 179.77 1qb4 h LEU 794 N 0.80 1.04 0.45 2.35 6.46 -1.71 -0.92 115.31 123.78 1qb4 h LEU 794 Ca 0.41 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1qb4 h LEU 794 Cb 0.40 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1qb4 h LEU 794 CO -0.26 0.82 -0.22 1.23 -0.62 0.00 0.00 178.44 179.40 1qb4 h GLY 795 N 1.17 -0.63 0.26 3.75 0.00 -1.18 -0.04 103.07 106.39 1qb4 h GLY 795 Ca 0.30 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1qb4 h GLY 795 CO -0.05 -0.23 0.23 0.50 0.00 0.00 0.00 176.54 176.99 1qb4 h LYS 796 N -0.64 0.37 0.06 4.80 1.57 -1.06 0.24 116.57 121.92 1qb4 h LYS 796 Ca -0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1qb4 h LYS 796 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1qb4 h LYS 796 CO 0.10 0.25 -0.07 1.49 -0.57 0.00 0.00 179.45 180.65 1qb4 h GLU 797 N 0.39 -0.15 -0.21 3.15 4.81 -0.81 -0.77 114.58 120.98 1qb4 h GLU 797 Ca 0.35 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1qb4 h GLU 797 Cb 0.48 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1qb4 h GLU 797 CO -0.36 -0.10 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.68 1qb4 h LEU 798 N -0.16 0.30 -0.49 1.64 3.38 -0.12 -0.76 115.31 119.10 1qb4 h LEU 798 Ca 0.01 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1qb4 h LEU 798 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qb4 h LEU 798 CO -0.03 0.41 -0.36 0.03 0.09 0.00 0.00 178.44 178.58 1qb4 h ARG 799 N 0.31 0.85 -0.02 1.13 3.08 -0.62 -2.85 114.38 116.27 1qb4 h ARG 799 Ca 0.07 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 1qb4 h ARG 799 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1qb4 h ARG 799 CO 0.01 1.07 -0.45 -0.91 -1.07 0.00 0.00 179.97 178.62 1qb4 h ASN 800 N 0.71 0.04 -0.45 7.04 -0.26 -0.88 -2.08 115.58 119.70 1qb4 h ASN 800 Ca 0.07 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1qb4 h ASN 800 Cb 0.92 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.15 1qb4 h ASN 800 CO 0.09 0.49 0.28 0.25 -1.06 0.00 0.00 177.43 177.47 1qb4 h LEU 801 N 0.03 0.53 -0.04 1.61 7.12 -0.91 -1.94 115.31 121.70 1qb4 h LEU 801 Ca -0.00 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1qb4 h LEU 801 Cb 0.81 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1qb4 h LEU 801 CO 0.06 0.41 0.01 -0.61 -0.13 0.00 0.00 178.44 178.18 1qb4 h GLN 802 N 0.60 0.07 -0.55 1.25 4.15 -1.33 -0.12 115.11 119.18 1qb4 h GLN 802 Ca 0.16 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.68 1qb4 h GLN 802 Cb -0.03 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.55 1qb4 h GLN 802 CO -0.03 0.25 0.01 0.93 -1.93 0.00 0.00 178.83 178.05 1qb4 h GLU 803 N -0.13 0.12 -0.18 1.69 5.08 -1.21 0.99 114.58 120.94 1qb4 h GLU 803 Ca 0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1qb4 h GLU 803 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1qb4 h GLU 803 CO -0.00 0.08 -0.26 1.49 -1.00 0.00 0.00 179.01 179.32 1qb4 h GLU 804 N 0.12 0.34 0.00 2.33 4.57 -1.16 -2.90 114.58 117.89 1qb4 h GLU 804 Ca 0.28 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1qb4 h GLU 804 Cb 0.44 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1qb4 h GLU 804 CO -0.46 0.58 -0.35 -0.44 -1.18 0.00 0.00 179.01 177.16 1qb4 h ASP 805 N 0.31 0.00 -0.13 1.04 5.19 0.11 -2.72 116.42 120.21 1qb4 h ASP 805 Ca 0.05 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 1qb4 h ASP 805 Cb 0.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1qb4 h ASP 805 CO 0.05 0.35 -0.50 0.40 -3.12 0.00 0.00 179.24 176.41 1qb4 h ILE 806 N 0.00 1.30 0.35 0.35 2.04 -0.93 -2.18 117.51 118.43 1qb4 h ILE 806 Ca -0.00 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1qb4 h ILE 806 Cb 0.77 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1qb4 h ILE 806 CO 0.05 0.55 -0.17 0.11 0.00 0.00 0.00 178.15 178.68 1qb4 h LYS 807 N 0.55 -0.45 -0.82 2.37 1.57 -1.43 0.32 116.57 118.69 1qb4 h LYS 807 Ca 0.02 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1qb4 h LYS 807 Cb 1.07 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 1qb4 h LYS 807 CO 0.10 -0.18 0.40 0.28 -0.57 0.00 0.00 179.45 179.49 1qb4 h VAL 808 N -0.69 0.72 -0.17 0.50 2.07 -1.54 0.63 116.25 117.77 1qb4 h VAL 808 Ca -0.05 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1qb4 h VAL 808 Cb 0.48 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1qb4 h VAL 808 CO 0.08 0.10 0.02 0.58 0.02 0.00 0.00 177.57 178.37 1qb4 h VAL 809 N 0.57 1.23 -0.79 2.57 2.07 -1.19 0.21 116.25 120.93 1qb4 h VAL 809 Ca 0.44 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1qb4 h VAL 809 Cb 0.63 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1qb4 h VAL 809 CO -0.37 0.23 0.42 -0.07 0.02 0.00 0.00 177.57 177.80 1qb4 h LEU 810 N 0.07 1.00 0.19 2.57 4.07 0.10 0.12 115.31 123.43 1qb4 h LEU 810 Ca 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1qb4 h LEU 810 Cb 0.33 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1qb4 h LEU 810 CO 0.00 0.82 -0.09 0.00 -1.08 0.00 0.00 178.44 178.10 1qb4 h ALA 811 N 1.22 -0.26 -0.69 1.53 0.00 0.29 0.16 119.26 121.51 1qb4 h ALA 811 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qb4 h ALA 811 Cb 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1qb4 h ALA 811 CO -0.04 -0.64 0.44 0.82 0.00 0.00 0.00 179.25 179.84 1qb4 h ILE 812 N -0.27 1.18 -0.00 0.00 2.04 -0.26 -2.22 117.51 117.98 1qb4 h ILE 812 Ca -0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1qb4 h ILE 812 Cb 0.21 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1qb4 h ILE 812 CO 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 178.15 178.34 1qb4 n ALA 813 N -2.43 2.43 -3.47 1.87 0.00 0.00 -4.77 120.51 114.14 1qb4 n ALA 813 Ca 0.07 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 1qb4 n ALA 813 Cb 0.05 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.12 1qb4 n ALA 813 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qb4 n ASN 814 N -1.45 -2.67 -3.97 0.00 4.13 0.51 -5.00 115.26 106.82 1qb4 n ASN 814 Ca 0.08 -0.70 -0.10 0.00 1.68 0.00 0.00 54.58 55.55 1qb4 n ASN 814 Cb 0.32 -4.83 -0.06 0.00 -1.54 0.00 0.00 39.78 33.66 1qb4 n ASN 814 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qb4 s ASP 815 N -4.18 -0.01 0.00 6.41 -1.08 -0.94 -5.05 116.67 111.82 1qb4 s ASP 815 Ca 0.09 -0.89 0.01 0.00 -0.52 0.00 0.00 52.55 51.24 1qb4 s ASP 815 Cb -0.02 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1qb4 s ASP 815 CO 0.76 -0.96 0.32 -1.54 0.52 0.00 0.00 175.17 174.26 1qb4 n SER 816 N -0.27 0.63 -4.15 -0.34 3.41 -1.26 -4.55 113.62 107.10 1qb4 n SER 816 Ca -0.05 -0.82 -0.27 0.00 -0.26 0.00 0.00 58.87 57.47 1qb4 n SER 816 Cb 0.63 0.44 -0.16 0.00 -0.26 0.00 0.00 64.21 64.86 1qb4 n SER 816 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qb4 s HIS 817 N -0.54 1.89 0.30 7.33 3.76 -1.26 -5.11 115.29 121.66 1qb4 s HIS 817 Ca 0.01 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 1qb4 s HIS 817 Cb 0.01 -1.28 -0.11 0.00 1.11 0.00 0.00 32.58 32.31 1qb4 s HIS 817 CO 0.03 -0.23 1.51 -1.17 -0.85 0.00 0.00 174.74 174.03 1qb4 s LEU 818 N 0.17 4.35 -1.27 0.89 2.96 -1.26 -3.76 118.68 120.77 1qb4 s LEU 818 Ca -0.08 2.89 -0.20 0.00 -0.22 0.00 0.00 54.13 56.52 1qb4 s LEU 818 Cb -0.14 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1qb4 s LEU 818 CO 0.04 -0.83 0.59 1.15 -1.32 0.00 0.00 176.35 175.98 1qb4 n MET 819 N 1.73 -1.21 0.11 1.98 0.00 -1.26 -4.87 117.12 113.61 1qb4 n MET 819 Ca 0.06 0.26 0.13 0.00 0.00 0.00 0.00 57.70 58.15 1qb4 n MET 819 Cb 0.39 -3.55 0.41 0.00 0.00 0.00 0.00 33.22 30.47 1qb4 n MET 819 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qb4 n ALA 820 N -4.60 2.20 1.00 3.17 0.00 -1.25 -2.80 120.51 118.24 1qb4 n ALA 820 Ca -0.17 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1qb4 n ALA 820 Cb 0.61 -1.46 0.47 0.00 0.00 0.00 0.00 19.45 19.07 1qb4 n ALA 820 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qb4 n ASP 821 N -2.29 0.20 -3.44 0.00 9.92 -1.26 -4.37 116.55 115.31 1qb4 n ASP 821 Ca 0.05 0.20 -0.26 0.00 -0.53 0.00 0.00 54.79 54.25 1qb4 n ASP 821 Cb 0.41 -0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 40.60 1qb4 n ASP 821 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1qb4 n LEU 822 N -1.50 2.29 -0.33 0.64 4.77 -1.12 -4.96 117.00 116.79 1qb4 n LEU 822 Ca 0.06 -5.11 -0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1qb4 n LEU 822 Cb 0.34 -0.23 0.16 0.00 -2.33 0.00 0.00 43.42 41.37 1qb4 n LEU 822 CO 0.30 1.99 1.28 1.55 -1.33 0.00 0.00 177.39 181.18 1qb4 h PRO 823 N 4.49 1.19 -0.33 3.23 0.13 -1.76 0.38 132.00 139.32 1qb4 h PRO 823 Ca 0.16 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 1qb4 h PRO 823 Cb 0.76 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1qb4 h PRO 823 CO 0.67 0.79 -0.07 2.35 -0.23 0.00 0.00 178.00 181.51 1qb4 h TRP 824 N 1.23 0.71 -0.57 1.56 2.91 -1.95 0.13 115.95 119.97 1qb4 h TRP 824 Ca 0.36 -0.15 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 1qb4 h TRP 824 Cb -0.07 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.38 1qb4 h TRP 824 CO -0.00 0.80 0.11 0.82 -1.03 0.00 0.00 178.44 179.14 1qb4 h ILE 825 N 0.42 1.24 0.23 2.65 2.04 -1.89 -0.47 117.51 121.73 1qb4 h ILE 825 Ca 0.08 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1qb4 h ILE 825 Cb 0.57 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1qb4 h ILE 825 CO 0.03 0.33 -0.11 0.00 0.00 0.00 0.00 178.15 178.40 1qb4 h ALA 826 N 1.26 -0.31 0.23 1.87 0.00 -0.05 -0.36 119.26 121.89 1qb4 h ALA 826 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qb4 h ALA 826 Cb 0.35 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qb4 h ALA 826 CO 0.00 -0.66 -0.25 1.49 0.00 0.00 0.00 179.25 179.83 1qb4 h GLU 827 N -0.33 -0.50 -0.72 0.00 4.22 -0.65 -0.63 114.58 115.97 1qb4 h GLU 827 Ca -0.03 0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.55 1qb4 h GLU 827 Cb 0.26 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1qb4 h GLU 827 CO 0.05 -0.33 0.48 1.03 -2.18 0.00 0.00 179.01 178.06 1qb4 h SER 828 N -0.51 0.49 -0.18 1.04 0.87 -1.06 0.11 113.55 114.31 1qb4 h SER 828 Ca -0.00 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1qb4 h SER 828 Cb 0.48 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1qb4 h SER 828 CO -0.06 0.28 -0.40 0.40 -0.53 0.00 0.00 176.83 176.51 1qb4 h ILE 829 N 0.54 1.29 -0.51 2.23 2.04 -0.30 -2.82 117.51 119.98 1qb4 h ILE 829 Ca 0.34 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.65 1qb4 h ILE 829 Cb 0.59 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1qb4 h ILE 829 CO -0.12 0.51 0.30 -0.61 0.00 0.00 0.00 178.15 178.23 1qb4 h GLN 830 N 0.58 0.57 0.40 2.37 4.15 0.72 -1.51 115.11 122.39 1qb4 h GLN 830 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1qb4 h GLN 830 Cb 0.95 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1qb4 h GLN 830 CO 0.09 0.38 -0.36 1.25 -1.93 0.00 0.00 178.83 178.26 1qb4 h LEU 831 N 0.59 -0.96 -1.13 -2.39 6.46 -1.31 -2.70 115.31 113.87 1qb4 h LEU 831 Ca 0.21 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1qb4 h LEU 831 Cb 0.04 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1qb4 h LEU 831 CO -0.10 -0.51 0.04 0.03 -0.62 0.00 0.00 178.44 177.28 1qb4 h ARG 832 N -0.77 0.65 -0.75 1.25 3.08 -1.44 -1.56 114.38 114.85 1qb4 h ARG 832 Ca -0.03 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1qb4 h ARG 832 Cb 0.68 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1qb4 h ARG 832 CO -0.04 0.64 0.48 -0.91 -1.07 0.00 0.00 179.97 179.08 1qb4 h ASN 833 N 0.63 0.80 0.41 7.04 -0.26 -1.18 0.90 115.58 123.92 1qb4 h ASN 833 Ca 0.13 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.71 1qb4 h ASN 833 Cb 0.33 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1qb4 h ASN 833 CO 0.01 0.56 -0.65 0.16 -1.06 0.00 0.00 177.43 176.45 1qb4 h ILE 834 N 0.95 1.41 0.00 2.81 3.07 -1.11 -2.28 117.51 122.35 1qb4 h ILE 834 Ca 0.29 -2.10 -0.13 0.00 1.55 0.00 0.00 64.86 64.48 1qb4 h ILE 834 Cb -0.02 2.09 -0.02 0.00 -0.27 0.00 0.00 36.82 38.60 1qb4 h ILE 834 CO -0.10 0.62 -0.60 1.88 -1.05 0.00 0.00 178.15 178.90 1qb4 h TYR 835 N 0.16 0.00 0.02 0.16 -1.99 -0.31 -3.25 116.97 111.75 1qb4 h TYR 835 Ca -0.01 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.51 1qb4 h TYR 835 Cb 1.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.89 1qb4 h TYR 835 CO 0.02 0.60 -0.93 1.15 -0.00 0.00 0.00 178.16 179.00 1qb4 h THR 836 N 0.00 1.54 -0.46 -2.88 2.02 -0.85 -3.39 112.91 108.89 1qb4 h THR 836 Ca -0.01 -2.81 0.04 0.00 0.77 0.00 0.00 66.41 64.40 1qb4 h THR 836 Cb 1.26 2.59 -0.06 0.00 -1.74 0.00 0.00 68.15 70.20 1qb4 h THR 836 CO 0.08 0.82 -0.27 -0.67 0.37 0.00 0.00 175.52 175.84 1qb4 n ASP 837 N -3.59 -0.49 0.26 4.18 2.03 -0.86 -0.67 116.55 117.42 1qb4 n ASP 837 Ca -0.03 1.03 0.12 0.00 0.52 0.00 0.00 54.79 56.43 1qb4 n ASP 837 Cb 0.85 -0.21 0.71 0.00 -0.72 0.00 0.00 41.12 41.74 1qb4 n ASP 837 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1qb4 h PRO 838 N 0.00 0.00 -0.26 -0.67 0.13 -1.79 -1.83 132.00 127.58 1qb4 h PRO 838 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1qb4 h PRO 838 Cb 0.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1qb4 h PRO 838 CO -0.43 0.13 -0.29 -0.07 -0.23 0.00 0.00 178.00 177.10 1qb4 h LEU 839 N 0.00 0.70 -0.81 1.56 3.38 -1.14 -0.38 115.31 118.63 1qb4 h LEU 839 Ca -0.00 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1qb4 h LEU 839 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1qb4 h LEU 839 CO 0.02 1.05 0.31 0.78 0.09 0.00 0.00 178.44 180.68 1qb4 h ASN 840 N 0.37 1.10 -0.80 -0.43 4.21 -1.01 0.34 115.58 119.37 1qb4 h ASN 840 Ca 0.04 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.35 1qb4 h ASN 840 Cb 0.86 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 1qb4 h ASN 840 CO 0.07 0.98 0.43 0.58 -1.29 0.00 0.00 177.43 178.20 1qb4 h VAL 841 N 1.16 1.24 -0.01 2.81 2.07 -1.15 -2.79 116.25 119.58 1qb4 h VAL 841 Ca 0.26 -0.60 -0.18 0.00 0.82 0.00 0.00 66.70 67.01 1qb4 h VAL 841 Cb 0.23 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1qb4 h VAL 841 CO -0.02 0.27 -0.68 0.25 0.02 0.00 0.00 177.57 177.41 1qb4 h LEU 842 N 1.13 0.61 -1.26 2.57 5.85 -0.58 -3.30 115.31 120.33 1qb4 h LEU 842 Ca 0.28 -0.75 0.18 0.00 0.84 0.00 0.00 57.88 58.44 1qb4 h LEU 842 Cb 0.04 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 1qb4 h LEU 842 CO -0.04 1.28 0.60 -0.61 -0.34 0.00 0.00 178.44 179.33 1qb4 h GLN 843 N 0.00 0.60 -0.85 1.25 4.15 -0.14 -0.17 115.11 119.95 1qb4 h GLN 843 Ca -0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1qb4 h GLN 843 Cb 1.38 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1qb4 h GLN 843 CO 0.13 0.40 0.51 0.00 -1.93 0.00 0.00 178.83 177.94 1qb4 h ALA 844 N 1.61 1.29 -0.35 3.38 0.00 -1.57 -0.98 119.26 122.64 1qb4 h ALA 844 Ca 0.51 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 1qb4 h ALA 844 Cb 0.96 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qb4 h ALA 844 CO -0.26 0.61 -0.32 0.93 0.00 0.00 0.00 179.25 180.21 1qb4 h GLU 845 N 1.18 0.78 0.01 0.00 4.39 -1.18 -2.25 114.58 117.50 1qb4 h GLU 845 Ca 0.31 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1qb4 h GLU 845 Cb -0.04 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1qb4 h GLU 845 CO -0.06 0.99 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.71 1qb4 h LEU 846 N 0.65 -0.01 -1.42 1.33 3.38 -0.89 -0.83 115.31 117.53 1qb4 h LEU 846 Ca 0.07 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 57.85 1qb4 h LEU 846 Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1qb4 h LEU 846 CO 0.07 0.31 0.51 -0.07 0.09 0.00 0.00 178.44 179.35 1qb4 h LEU 847 N -0.32 0.56 -0.07 1.67 3.38 -1.19 0.35 115.31 119.69 1qb4 h LEU 847 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qb4 h LEU 847 Cb 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qb4 h LEU 847 CO 0.00 0.32 -0.01 -0.74 0.09 0.00 0.00 178.44 178.10 1qb4 h HIS 848 N 0.62 0.15 -0.45 1.13 2.76 -1.09 0.85 115.15 119.12 1qb4 h HIS 848 Ca 0.37 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.48 1qb4 h HIS 848 Cb 0.59 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1qb4 h HIS 848 CO -0.00 0.43 0.14 0.00 -1.30 0.00 0.00 177.93 177.21 1qb4 h ARG 849 N -0.18 0.70 0.47 5.26 3.08 0.41 -1.12 114.38 123.00 1qb4 h ARG 849 Ca 0.02 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1qb4 h ARG 849 Cb 0.38 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1qb4 h ARG 849 CO 0.01 0.67 -0.23 1.03 -1.07 0.00 0.00 179.97 180.38 1qb4 h SER 850 N 0.59 -0.54 0.17 7.04 0.87 -0.40 -2.39 113.55 118.90 1qb4 h SER 850 Ca 0.15 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1qb4 h SER 850 Cb 0.26 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1qb4 h SER 850 CO -0.01 -0.34 -0.02 0.03 -0.53 0.00 0.00 176.83 175.97 1qb4 h ARG 851 N -0.70 0.00 0.00 2.24 3.08 -0.74 -2.37 114.38 115.88 1qb4 h ARG 851 Ca -0.07 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1qb4 h ARG 851 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1qb4 h ARG 851 CO 0.11 0.02 -1.37 0.00 -1.07 0.00 0.00 179.97 177.66 1qb4 n GLN 852 N -3.34 0.62 -0.09 0.04 10.64 -0.43 -3.04 117.38 121.78 1qb4 n GLN 852 Ca -0.02 0.17 -0.10 0.00 -1.83 0.00 0.00 57.00 55.22 1qb4 n GLN 852 Cb 0.12 -1.79 -0.03 0.00 -0.86 0.00 0.00 30.24 27.68 1qb4 n GLN 852 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1qb4 h ALA 853 N 1.58 0.38 0.90 2.61 0.00 -0.92 -3.14 119.26 120.67 1qb4 h ALA 853 Ca -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1qb4 h ALA 853 Cb 1.44 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1qb4 h ALA 853 CO 0.03 -0.01 -0.43 1.05 0.00 0.00 0.00 179.25 179.89 1qb4 h GLU 854 N 0.32 -1.16 0.00 0.00 4.11 -1.58 0.10 114.58 116.37 1qb4 h GLU 854 Ca 0.10 0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1qb4 h GLU 854 Cb 0.20 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1qb4 h GLU 854 CO -0.01 -0.77 0.42 1.17 0.07 0.00 0.00 179.01 179.89 1qb4 n LYS 855 N -5.60 0.00 -2.72 1.06 4.81 -1.17 0.23 118.16 114.77 1qb4 n LYS 855 Ca -0.16 0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.30 1qb4 n LYS 855 Cb 0.48 -1.92 0.06 0.00 0.02 0.00 0.00 35.03 33.67 1qb4 n LYS 855 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1qb4 n GLU 856 N -1.07 1.35 -3.78 1.64 2.13 -1.01 -4.98 120.64 114.92 1qb4 n GLU 856 Ca 0.00 -2.83 -0.10 0.00 0.66 0.00 0.00 57.16 54.89 1qb4 n GLU 856 Cb 0.42 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.19 1qb4 n GLU 856 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qb4 n GLY 857 N -0.49 -0.16 3.77 8.31 0.00 0.13 -4.90 105.19 111.85 1qb4 n GLY 857 Ca 0.03 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1qb4 n GLY 857 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qb4 s GLN 858 N -5.46 2.50 -0.16 1.61 -0.21 0.33 -5.02 119.66 113.24 1qb4 s GLN 858 Ca 0.10 -1.44 -0.29 0.00 0.02 0.00 0.00 55.36 53.74 1qb4 s GLN 858 Cb -0.05 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 1qb4 s GLN 858 CO 0.20 0.12 1.51 -1.21 -2.12 0.00 0.00 175.29 173.79 1qb4 s GLU 859 N -3.89 4.03 -0.53 2.91 2.02 -1.26 -4.45 118.70 117.53 1qb4 s GLU 859 Ca 0.38 1.78 -0.26 0.00 0.02 0.00 0.00 54.97 56.89 1qb4 s GLU 859 Cb -0.04 -3.94 -0.08 0.00 0.10 0.00 0.00 34.13 30.17 1qb4 s GLU 859 CO 0.24 -0.99 2.44 -0.35 0.02 0.00 0.00 175.26 176.61 1qb4 n PRO 860 N 7.20 0.96 -1.82 0.39 -0.04 -1.26 -4.87 135.00 135.55 1qb4 n PRO 860 Ca 0.17 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 1qb4 n PRO 860 Cb 0.44 -3.33 -0.03 0.00 -0.04 0.00 0.00 33.50 30.55 1qb4 n PRO 860 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qb4 s ASP 861 N 12.03 6.49 0.39 3.54 3.68 -1.26 -4.89 116.67 136.64 1qb4 s ASP 861 Ca 1.00 2.71 0.10 0.00 2.13 0.00 0.00 52.55 58.50 1qb4 s ASP 861 Cb -0.24 -2.59 0.79 0.00 -1.45 0.00 0.00 42.92 39.43 1qb4 s ASP 861 CO 0.27 -0.92 1.91 1.55 0.13 0.00 0.00 175.17 178.11 1qb4 h PRO 862 N 7.29 0.20 0.16 4.34 0.13 -2.00 -2.53 132.00 139.59 1qb4 h PRO 862 Ca -0.43 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1qb4 h PRO 862 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qb4 h PRO 862 CO 0.94 0.37 -0.08 0.00 -0.23 0.00 0.00 178.00 179.00 1qb4 h ARG 863 N 0.19 -0.21 -0.75 0.86 3.08 -1.90 -1.56 114.38 114.09 1qb4 h ARG 863 Ca 0.04 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.22 1qb4 h ARG 863 Cb 0.41 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 1qb4 h ARG 863 CO 0.03 0.10 0.35 0.28 -1.07 0.00 0.00 179.97 179.65 1qb4 h VAL 864 N -0.52 0.76 -0.46 2.04 2.07 -1.84 -1.45 116.25 116.84 1qb4 h VAL 864 Ca -0.02 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1qb4 h VAL 864 Cb 0.40 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1qb4 h VAL 864 CO 0.04 0.10 0.03 -0.33 0.02 0.00 0.00 177.57 177.42 1qb4 h GLU 865 N 0.54 0.80 -0.39 1.57 5.08 -1.34 -2.69 114.58 118.14 1qb4 h GLU 865 Ca 0.39 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1qb4 h GLU 865 Cb 0.51 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1qb4 h GLU 865 CO -0.33 0.84 -0.19 1.96 -1.00 0.00 0.00 179.01 180.29 1qb4 h GLN 866 N 0.65 0.75 -0.63 2.33 4.20 -0.88 -0.33 115.11 121.20 1qb4 h GLN 866 Ca 0.13 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 1qb4 h GLN 866 Cb 0.46 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1qb4 h GLN 866 CO 0.02 0.89 0.13 0.00 -0.67 0.00 0.00 178.83 179.19 1qb4 h ALA 867 N 1.12 1.03 -0.38 3.87 0.00 -1.20 -1.79 119.26 121.91 1qb4 h ALA 867 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1qb4 h ALA 867 Cb 0.68 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qb4 h ALA 867 CO 0.05 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.35 1qb4 h LEU 868 N 0.96 0.51 -1.52 0.00 6.46 -1.22 -1.15 115.31 119.33 1qb4 h LEU 868 Ca 0.20 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1qb4 h LEU 868 Cb 0.38 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1qb4 h LEU 868 CO 0.01 0.50 0.15 0.24 -0.62 0.00 0.00 178.44 178.72 1qb4 h MET 869 N 0.48 0.47 -0.38 1.25 2.86 -0.65 -0.74 114.93 118.22 1qb4 h MET 869 Ca 0.13 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1qb4 h MET 869 Cb 0.13 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1qb4 h MET 869 CO -0.02 0.38 -0.02 0.28 1.06 0.00 0.00 176.91 178.59 1qb4 h VAL 870 N 0.47 1.26 -0.12 -2.22 2.07 -0.54 -1.96 116.25 115.22 1qb4 h VAL 870 Ca 0.12 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1qb4 h VAL 870 Cb 0.07 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1qb4 h VAL 870 CO -0.02 0.35 0.03 0.71 0.02 0.00 0.00 177.57 178.66 1qb4 h THR 871 N 0.50 1.20 -0.41 2.57 1.35 -0.56 0.24 112.91 117.81 1qb4 h THR 871 Ca 0.11 -0.63 0.07 0.00 -0.55 0.00 0.00 66.41 65.40 1qb4 h THR 871 Cb 0.50 1.41 -0.09 0.00 -1.73 0.00 0.00 68.15 68.24 1qb4 h THR 871 CO 0.02 0.18 -0.46 0.40 -0.25 0.00 0.00 175.52 175.42 1qb4 h ILE 872 N -0.02 0.09 -0.19 6.82 2.04 -1.18 0.56 117.51 125.63 1qb4 h ILE 872 Ca 0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 1qb4 h ILE 872 Cb 0.26 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1qb4 h ILE 872 CO 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.93 1qb4 h ALA 873 N 0.33 1.28 0.03 1.87 0.00 -1.19 -0.47 119.26 121.11 1qb4 h ALA 873 Ca 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qb4 h ALA 873 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qb4 h ALA 873 CO -0.58 0.48 -0.01 0.78 0.00 0.00 0.00 179.25 179.91 1qb4 h GLY 874 N 0.95 -0.04 0.71 0.00 0.00 0.16 -2.35 103.07 102.50 1qb4 h GLY 874 Ca 0.05 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.46 1qb4 h GLY 874 CO 0.04 -0.02 0.48 -2.22 0.00 0.00 0.00 176.54 174.82 1qb4 h ILE 875 N -0.54 1.02 -0.18 2.60 2.04 0.11 0.12 117.51 122.67 1qb4 h ILE 875 Ca -0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1qb4 h ILE 875 Cb 0.50 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1qb4 h ILE 875 CO 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 178.15 178.28 1qb4 h ALA 876 N 1.38 1.60 0.04 1.87 0.00 -1.10 0.77 119.26 123.82 1qb4 h ALA 876 Ca 0.35 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 1qb4 h ALA 876 Cb 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qb4 h ALA 876 CO -0.18 0.30 -1.04 0.00 0.00 0.00 0.00 179.25 178.33 1qb4 h ALA 877 N 1.70 0.26 -0.23 0.00 0.00 -0.48 -2.01 119.26 118.51 1qb4 h ALA 877 Ca 0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 1qb4 h ALA 877 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qb4 h ALA 877 CO 0.01 0.83 -0.63 0.78 0.00 0.00 0.00 179.25 180.25 1qb4 h GLY 878 N 1.20 0.88 2.00 0.00 0.00 -0.73 -3.23 103.07 103.19 1qb4 h GLY 878 Ca -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.13 1qb4 h GLY 878 CO 0.18 0.98 0.00 -0.33 0.00 0.00 0.00 176.54 177.38 1qb4 h MET 879 N 0.60 0.00 0.00 4.80 2.86 -0.89 -3.46 114.93 118.84 1qb4 h MET 879 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1qb4 h MET 879 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1qb4 h MET 879 CO 0.13 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.64 1qb4 n ARG 880 N -2.85 0.00 -2.14 1.72 1.74 -0.76 -4.46 116.66 109.90 1qb4 n ARG 880 Ca 0.04 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1qb4 n ARG 880 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.91 1qb4 n ARG 880 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qb4 s ASN 881 N -4.00 6.77 -0.02 0.55 4.22 -1.26 -4.89 114.94 116.31 1qb4 s ASN 881 Ca 0.00 2.12 0.03 0.00 -2.14 0.00 0.00 52.86 52.87 1qb4 s ASN 881 Cb 0.00 -2.54 0.05 0.00 1.28 0.00 0.00 41.25 40.03 1qb4 s ASN 881 CO 0.00 -0.83 0.84 0.35 -2.04 0.00 0.00 177.10 175.42 1qb4 n THR 882 N 5.15 0.51 -0.63 0.54 -2.24 -1.26 -4.95 114.28 111.40 1qb4 n THR 882 Ca 0.15 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1qb4 n THR 882 Cb 0.43 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1qb4 n THR 882 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11