#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrg s ILE 13 N 0.00 4.79 0.18 1.69 -4.36 -1.26 -5.05 121.20 117.19 2qrg s ILE 13 Ca 0.00 -0.50 -0.14 0.00 -0.26 0.00 0.00 60.65 59.76 2qrg s ILE 13 Cb 0.00 -3.25 0.07 0.00 1.25 0.00 0.00 42.46 40.53 2qrg s ILE 13 CO 0.00 0.26 1.80 -1.28 0.24 0.00 0.00 174.94 175.96 2qrg h SER 14 N 3.73 0.42 0.26 4.36 0.87 -1.96 -2.67 113.55 118.55 2qrg h SER 14 Ca -0.48 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2qrg h SER 14 Cb 1.17 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2qrg h SER 14 CO 0.65 0.29 0.00 1.33 -0.53 0.00 0.00 176.83 178.57 2qrg n VAL 15 N -4.85 1.15 1.25 2.23 0.24 -1.26 -1.97 118.33 115.11 2qrg n VAL 15 Ca 0.04 0.50 0.10 0.00 -2.04 0.00 0.00 64.34 62.94 2qrg n VAL 15 Cb 0.10 -1.45 0.37 0.00 -1.47 0.00 0.00 33.84 31.39 2qrg n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qrg n ARG 16 N -2.04 1.69 0.00 7.34 1.74 -1.01 -5.05 116.66 119.34 2qrg n ARG 16 Ca 0.00 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 2qrg n ARG 16 Cb 0.10 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2qrg n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qrg n GLY 17 N 1.10 -2.67 3.85 -0.13 0.00 -0.83 -1.43 105.19 105.08 2qrg n GLY 17 Ca 0.16 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2qrg n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrg s LEU 18 N 0.00 4.23 -0.79 0.99 2.01 -1.26 -4.64 118.68 119.21 2qrg s LEU 18 Ca 0.00 1.15 0.02 0.00 0.01 0.00 0.00 54.13 55.31 2qrg s LEU 18 Cb 0.00 -3.62 0.25 0.00 0.01 0.00 0.00 46.19 42.83 2qrg s LEU 18 CO 0.00 -0.03 0.90 0.00 1.01 0.00 0.00 176.35 178.24 2qrg n ALA 19 N 0.28 4.23 -1.77 4.21 0.00 -1.26 -3.64 120.51 122.56 2qrg n ALA 19 Ca -0.01 -4.73 -0.37 0.00 0.00 0.00 0.00 53.44 48.32 2qrg n ALA 19 Cb 0.52 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 2qrg n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qrg s GLY 20 N -1.85 2.80 0.20 0.00 0.00 -1.26 -4.87 107.32 102.34 2qrg s GLY 20 Ca 0.35 0.90 -0.12 0.00 0.00 0.00 0.00 44.72 45.85 2qrg s GLY 20 CO -0.02 1.37 1.69 -2.08 0.00 0.00 0.00 173.10 174.06 2qrg h VAL 21 N 2.08 0.60 -0.10 1.40 2.07 -1.99 -0.74 116.25 119.57 2qrg h VAL 21 Ca -0.49 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2qrg h VAL 21 Cb 1.24 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2qrg h VAL 21 CO 0.61 0.03 0.05 -0.33 0.02 0.00 0.00 177.57 177.96 2qrg h GLU 22 N 0.17 0.14 -0.28 1.57 3.07 -1.99 -2.03 114.58 115.23 2qrg h GLU 22 Ca 0.29 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2qrg h GLU 22 Cb 0.44 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2qrg h GLU 22 CO -0.43 0.17 0.17 -0.91 -1.40 0.00 0.00 179.01 176.61 2qrg h ASN 23 N 0.07 0.28 -0.53 1.42 4.21 -1.82 -1.37 115.58 117.83 2qrg h ASN 23 Ca 0.04 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 2qrg h ASN 23 Cb 0.07 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 2qrg h ASN 23 CO -0.01 0.20 0.26 0.58 -1.29 0.00 0.00 177.43 177.17 2qrg h VAL 24 N 0.35 1.20 -0.28 2.81 2.07 -1.14 -0.18 116.25 121.07 2qrg h VAL 24 Ca 0.11 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2qrg h VAL 24 Cb -0.01 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2qrg h VAL 24 CO -0.05 0.22 0.17 0.74 0.02 0.00 0.00 177.57 178.67 2qrg h THR 25 N 0.71 1.10 -0.66 2.57 2.02 -1.22 -1.87 112.91 115.55 2qrg h THR 25 Ca 0.18 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 2qrg h THR 25 Cb 0.12 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2qrg h THR 25 CO -0.02 0.10 0.09 -0.08 0.37 0.00 0.00 175.52 175.97 2qrg h GLU 26 N 0.35 1.11 -0.73 6.66 4.57 -1.06 -2.57 114.58 122.91 2qrg h GLU 26 Ca 0.10 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 2qrg h GLU 26 Cb 0.01 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 2qrg h GLU 26 CO -0.02 1.02 0.26 -0.07 -1.18 0.00 0.00 179.01 179.02 2qrg h LEU 27 N 1.03 1.03 -0.63 1.64 3.38 -0.91 -1.91 115.31 118.95 2qrg h LEU 27 Ca 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qrg h LEU 27 Cb 0.46 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2qrg h LEU 27 CO 0.02 0.95 0.31 0.11 0.09 0.00 0.00 178.44 179.92 2qrg h LYS 28 N 1.06 0.90 -0.12 1.13 1.57 -1.20 -0.47 116.57 119.44 2qrg h LYS 28 Ca 0.24 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 2qrg h LYS 28 Cb 0.26 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2qrg h LYS 28 CO -0.01 0.71 -0.70 1.57 -0.57 0.00 0.00 179.45 180.45 2qrg h LYS 29 N 0.86 0.52 -0.10 3.15 2.10 -1.33 -2.01 116.57 119.76 2qrg h LYS 29 Ca 0.22 -0.40 -0.14 0.00 -2.00 0.00 0.00 60.65 58.32 2qrg h LYS 29 Cb 0.10 0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2qrg h LYS 29 CO -0.03 1.03 -0.55 -0.91 -2.00 0.00 0.00 179.45 176.99 2qrg h ASN 30 N 0.37 0.32 -0.19 7.07 2.35 -1.28 -0.13 115.58 124.09 2qrg h ASN 30 Ca -0.03 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2qrg h ASN 30 Cb 1.28 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2qrg h ASN 30 CO 0.13 0.80 0.12 0.15 -1.65 0.00 0.00 177.43 176.98 2qrg h PHE 31 N 0.22 0.24 -0.39 1.19 3.57 -0.99 -1.36 116.94 119.42 2qrg h PHE 31 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2qrg h PHE 31 Cb 1.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2qrg h PHE 31 CO 0.02 0.16 -0.12 -0.91 -2.23 0.00 0.00 178.31 175.23 2qrg h ASN 32 N 0.25 0.68 -0.35 0.41 2.35 -1.21 -1.95 115.58 115.76 2qrg h ASN 32 Ca 0.07 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2qrg h ASN 32 Cb -0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2qrg h ASN 32 CO -0.01 0.82 0.18 -0.09 -1.65 0.00 0.00 177.43 176.67 2qrg h ARG 33 N 0.62 0.50 -0.43 0.81 2.43 -0.87 -2.54 114.38 114.91 2qrg h ARG 33 Ca 0.11 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2qrg h ARG 33 Cb 0.57 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2qrg h ARG 33 CO 0.04 0.44 -0.17 0.45 -1.51 0.00 0.00 179.97 179.22 2qrg h HIS 34 N 0.43 0.92 -0.60 2.20 3.86 -1.09 0.12 115.15 120.99 2qrg h HIS 34 Ca 0.12 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2qrg h HIS 34 Cb 0.10 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 2qrg h HIS 34 CO -0.02 0.93 0.35 1.25 0.86 0.00 0.00 177.93 181.30 2qrg h LEU 35 N 0.73 0.71 0.00 2.43 5.85 -1.27 -0.10 115.31 123.66 2qrg h LEU 35 Ca 0.11 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qrg h LEU 35 Cb 0.68 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2qrg h LEU 35 CO 0.05 0.56 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.92 2qrg h HIS 36 N 0.82 0.00 0.17 1.25 2.76 -1.14 -1.61 115.15 117.40 2qrg h HIS 36 Ca 0.21 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.09 2qrg h HIS 36 Cb -0.02 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.96 2qrg h HIS 36 CO 0.00 0.00 -1.32 0.74 -1.30 0.00 0.00 177.93 176.06 2qrg h PHE 37 N -0.71 0.75 0.05 5.26 0.04 -0.84 -2.16 116.94 119.33 2qrg h PHE 37 Ca 0.00 -0.53 -0.21 0.00 2.80 0.00 0.00 57.97 60.02 2qrg h PHE 37 Cb 0.05 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2qrg h PHE 37 CO -0.02 1.41 -1.14 1.15 -0.60 0.00 0.00 178.31 179.11 2qrg h THR 38 N 0.14 1.09 0.00 -1.55 2.02 -1.26 -3.38 112.91 109.96 2qrg h THR 38 Ca -0.18 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2qrg h THR 38 Cb 2.02 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 71.04 2qrg h THR 38 CO 0.23 0.53 -0.89 0.18 0.37 0.00 0.00 175.52 175.95 2qrg n LEU 39 N -4.23 0.77 -3.46 2.58 4.77 -0.21 -4.99 117.00 112.23 2qrg n LEU 39 Ca -0.26 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 2qrg n LEU 39 Cb 0.75 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2qrg n LEU 39 CO 0.31 -0.11 0.00 0.52 -1.33 0.00 0.00 177.39 176.77 2qrg n VAL 40 N -2.40 -7.10 -4.14 4.08 0.31 -0.81 -5.00 118.33 103.27 2qrg n VAL 40 Ca 0.01 -0.98 -0.09 0.00 -0.01 0.00 0.00 64.34 63.27 2qrg n VAL 40 Cb 0.50 -5.30 -0.10 0.00 -0.91 0.00 0.00 33.84 28.03 2qrg n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qrg s LYS 41 N -5.19 0.81 0.38 5.55 -0.14 -0.62 -5.03 119.74 115.49 2qrg s LYS 41 Ca 0.31 -1.34 0.08 0.00 -1.36 0.00 0.00 55.97 53.66 2qrg s LYS 41 Cb -0.06 0.04 -0.07 0.00 -1.68 0.00 0.00 37.83 36.06 2qrg s LYS 41 CO 0.78 -0.12 -0.03 0.16 -0.76 0.00 0.00 175.35 175.37 2qrg s ASP 42 N -3.02 3.72 0.38 2.83 1.47 -1.26 -3.93 116.67 116.86 2qrg s ASP 42 Ca 0.14 -1.29 0.22 0.00 1.18 0.00 0.00 52.55 52.80 2qrg s ASP 42 Cb 0.07 -0.36 1.20 0.00 -0.34 0.00 0.00 42.92 43.49 2qrg s ASP 42 CO -0.04 -0.35 1.65 0.03 0.68 0.00 0.00 175.17 177.14 2qrg h ARG 43 N 1.90 0.00 0.05 2.11 2.47 -1.96 -2.23 114.38 116.72 2qrg h ARG 43 Ca -0.43 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.06 2qrg h ARG 43 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2qrg h ARG 43 CO 0.76 0.00 -1.04 -0.91 0.56 0.00 0.00 179.97 179.34 2qrg h ASN 44 N 0.00 0.27 -0.00 7.04 2.35 -2.05 -3.35 115.58 119.84 2qrg h ASN 44 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2qrg h ASN 44 Cb 0.20 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2qrg h ASN 44 CO 0.00 1.14 -0.14 1.33 -1.65 0.00 0.00 177.43 178.12 2qrg n VAL 45 N -3.55 0.00 -2.15 2.81 0.24 -0.92 -5.04 118.33 109.73 2qrg n VAL 45 Ca -0.05 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 2qrg n VAL 45 Cb 0.92 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 34.34 2qrg n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qrg s ALA 46 N -1.05 3.49 0.37 2.33 0.00 -0.89 -4.99 121.76 121.03 2qrg s ALA 46 Ca 0.05 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.32 2qrg s ALA 46 Cb 0.05 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2qrg s ALA 46 CO 0.16 -0.60 0.31 0.95 0.00 0.00 0.00 175.76 176.58 2qrg s THR 47 N -1.08 3.12 0.37 0.00 -4.23 -1.26 -4.98 115.64 107.58 2qrg s THR 47 Ca 0.49 -1.40 0.15 0.00 -1.18 0.00 0.00 61.69 59.75 2qrg s THR 47 Cb -0.39 -3.09 0.36 0.00 1.34 0.00 0.00 72.50 70.72 2qrg s THR 47 CO 0.51 -0.11 1.76 -0.65 -0.54 0.00 0.00 174.62 175.60 2qrg h PRO 48 N 1.20 0.45 -0.76 3.99 0.11 -1.99 0.04 132.00 135.04 2qrg h PRO 48 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2qrg h PRO 48 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2qrg h PRO 48 CO 0.59 0.30 0.27 -0.09 -0.21 0.00 0.00 178.00 178.85 2qrg h ARG 49 N 0.47 1.17 -0.75 1.05 2.43 -1.96 -0.64 114.38 116.15 2qrg h ARG 49 Ca 0.61 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 2qrg h ARG 49 Cb 1.39 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 2qrg h ARG 49 CO -0.35 0.98 0.48 -0.44 -1.51 0.00 0.00 179.97 179.12 2qrg h ASP 50 N 1.13 0.87 -0.69 -3.80 3.45 -1.40 -1.96 116.42 114.01 2qrg h ASP 50 Ca 0.25 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 2qrg h ASP 50 Cb 0.27 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 2qrg h ASP 50 CO -0.01 0.65 0.14 1.88 -1.57 0.00 0.00 179.24 180.33 2qrg h TYR 51 N 1.02 1.20 -0.21 4.55 0.05 -0.84 -1.28 116.97 121.45 2qrg h TYR 51 Ca 0.27 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.94 2qrg h TYR 51 Cb -0.08 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.28 2qrg h TYR 51 CO -0.02 0.99 -0.08 -0.92 -1.05 0.00 0.00 178.16 177.08 2qrg h TYR 52 N 1.06 -0.17 -0.61 4.88 3.20 -0.83 -1.62 116.97 122.88 2qrg h TYR 52 Ca 0.21 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2qrg h TYR 52 Cb 0.42 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2qrg h TYR 52 CO 0.03 -0.12 0.17 0.74 -1.64 0.00 0.00 178.16 177.33 2qrg h PHE 53 N -0.04 0.97 -0.73 -3.82 -1.00 -1.03 0.95 116.94 112.23 2qrg h PHE 53 Ca 0.11 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2qrg h PHE 53 Cb 0.20 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 2qrg h PHE 53 CO -0.24 0.79 0.41 0.00 -1.61 0.00 0.00 178.31 177.66 2qrg h ALA 54 N 1.28 0.94 -0.21 2.45 0.00 -1.05 -0.64 119.26 122.03 2qrg h ALA 54 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qrg h ALA 54 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qrg h ALA 54 CO -0.00 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.93 2qrg h LEU 55 N 1.01 0.37 -0.53 0.00 5.85 -0.72 -2.07 115.31 119.21 2qrg h LEU 55 Ca 0.26 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2qrg h LEU 55 Cb 0.02 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2qrg h LEU 55 CO -0.04 0.60 0.29 0.00 -0.34 0.00 0.00 178.44 178.95 2qrg h ALA 56 N 0.78 0.68 -0.47 1.25 0.00 -0.61 -0.60 119.26 120.29 2qrg h ALA 56 Ca 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qrg h ALA 56 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qrg h ALA 56 CO 0.01 -0.03 0.04 0.45 0.00 0.00 0.00 179.25 179.72 2qrg h HIS 57 N 0.56 0.78 -0.41 0.00 3.86 -1.11 0.23 115.15 119.07 2qrg h HIS 57 Ca 0.22 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2qrg h HIS 57 Cb 0.09 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2qrg h HIS 57 CO -0.08 0.71 0.10 1.15 0.86 0.00 0.00 177.93 180.66 2qrg h THR 58 N 0.71 1.23 -0.27 2.45 2.02 -0.63 -2.20 112.91 116.21 2qrg h THR 58 Ca 0.15 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.40 2qrg h THR 58 Cb 0.37 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2qrg h THR 58 CO 0.01 0.28 -0.38 0.58 0.37 0.00 0.00 175.52 176.38 2qrg h VAL 59 N 0.52 1.30 -0.98 3.16 2.07 -0.97 -3.09 116.25 118.27 2qrg h VAL 59 Ca 0.13 -1.56 0.14 0.00 0.82 0.00 0.00 66.70 66.22 2qrg h VAL 59 Cb 0.31 1.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 2qrg h VAL 59 CO 0.00 0.50 0.60 -0.09 0.02 0.00 0.00 177.57 178.60 2qrg h ARG 60 N 0.48 0.87 -0.85 1.57 2.43 -0.89 -1.60 114.38 116.39 2qrg h ARG 60 Ca 0.03 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2qrg h ARG 60 Cb 0.97 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 2qrg h ARG 60 CO 0.09 0.57 0.55 -0.44 -1.51 0.00 0.00 179.97 179.23 2qrg h ASP 61 N 0.89 0.52 1.06 -3.80 3.45 -1.30 -0.34 116.42 116.90 2qrg h ASP 61 Ca 0.51 0.03 0.00 0.00 0.43 0.00 0.00 57.03 58.00 2qrg h ASP 61 Cb 0.59 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 2qrg h ASP 61 CO -0.30 0.26 0.00 0.45 -1.57 0.00 0.00 179.24 178.08 2qrg h HIS 62 N 0.55 0.00 0.09 4.55 3.86 -1.38 -3.08 115.15 119.74 2qrg h HIS 62 Ca 0.43 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.38 2qrg h HIS 62 Cb 0.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 2qrg h HIS 62 CO -0.00 0.00 -1.19 -0.07 0.86 0.00 0.00 177.93 177.52 2qrg h LEU 63 N 0.00 0.30 -0.34 2.43 3.38 -1.09 -3.41 115.31 116.59 2qrg h LEU 63 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2qrg h LEU 63 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2qrg h LEU 63 CO 0.00 1.26 0.19 -0.37 0.09 0.00 0.00 178.44 179.61 2qrg h VAL 64 N 0.05 1.14 -0.30 1.22 -1.51 -1.46 0.10 116.25 115.49 2qrg h VAL 64 Ca -0.11 -0.35 0.03 0.00 -1.23 0.00 0.00 66.70 65.05 2qrg h VAL 64 Cb 1.92 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 2qrg h VAL 64 CO 0.18 0.14 0.10 1.23 -1.23 0.00 0.00 177.57 177.99 2qrg h GLY 65 N 0.43 0.37 1.27 5.19 0.00 -1.79 -0.29 103.07 108.25 2qrg h GLY 65 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 2qrg h GLY 65 CO -0.02 0.03 0.14 3.21 0.00 0.00 0.00 176.54 179.89 2qrg h ARG 66 N 0.23 0.92 -0.26 4.80 3.08 -1.68 -1.69 114.38 119.77 2qrg h ARG 66 Ca 0.13 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2qrg h ARG 66 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2qrg h ARG 66 CO -0.14 0.82 0.02 2.35 -1.07 0.00 0.00 179.97 181.96 2qrg h TRP 67 N 0.88 0.48 -0.38 3.04 7.01 -0.30 -0.12 115.95 126.55 2qrg h TRP 67 Ca 0.19 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2qrg h TRP 67 Cb 0.32 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 2qrg h TRP 67 CO 0.02 0.58 0.14 0.82 -2.79 0.00 0.00 178.44 177.21 2qrg h ILE 68 N 0.24 1.20 -0.06 2.65 2.04 -0.97 -2.68 117.51 119.93 2qrg h ILE 68 Ca 0.08 -0.63 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 2qrg h ILE 68 Cb 0.37 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2qrg h ILE 68 CO 0.01 0.23 -0.66 0.08 0.00 0.00 0.00 178.15 177.81 2qrg h ARG 69 N 0.47 0.25 0.13 2.37 0.11 -1.25 -1.79 114.38 114.67 2qrg h ARG 69 Ca 0.13 -0.19 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2qrg h ARG 69 Cb 0.22 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 2qrg h ARG 69 CO -0.01 0.82 -0.07 1.15 0.10 0.00 0.00 179.97 181.96 2qrg h THR 70 N 0.18 0.86 -0.33 0.08 2.02 -1.01 -0.49 112.91 114.22 2qrg h THR 70 Ca -0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2qrg h THR 70 Cb 1.18 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2qrg h THR 70 CO 0.10 0.00 -0.15 1.56 0.37 0.00 0.00 175.52 177.40 2qrg h GLN 71 N -0.18 0.58 -0.17 6.66 1.08 -1.40 -1.91 115.11 119.77 2qrg h GLN 71 Ca -0.01 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 56.87 2qrg h GLN 71 Cb 0.15 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2qrg h GLN 71 CO 0.02 0.71 -0.45 -0.56 -0.95 0.00 0.00 178.83 177.61 2qrg h GLN 72 N 0.53 0.41 -0.63 1.46 3.07 -1.27 -2.54 115.11 116.14 2qrg h GLN 72 Ca 0.09 -0.22 0.01 0.00 0.09 0.00 0.00 58.65 58.63 2qrg h GLN 72 Cb 0.57 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.10 2qrg h GLN 72 CO 0.04 0.78 0.41 1.25 0.09 0.00 0.00 178.83 181.40 2qrg h HIS 73 N 0.33 0.77 -0.47 0.06 2.76 -0.54 -1.31 115.15 116.75 2qrg h HIS 73 Ca 0.02 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 2qrg h HIS 73 Cb 0.92 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2qrg h HIS 73 CO 0.03 0.47 -0.03 1.88 -1.30 0.00 0.00 177.93 178.98 2qrg h TYR 74 N 0.82 0.85 -0.75 5.26 0.05 -1.26 -0.04 116.97 121.90 2qrg h TYR 74 Ca 0.24 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2qrg h TYR 74 Cb -0.06 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.42 2qrg h TYR 74 CO -0.04 0.80 0.33 -0.92 -1.05 0.00 0.00 178.16 177.28 2qrg h TYR 75 N 0.74 1.10 -0.06 4.88 3.20 -1.07 0.70 116.97 126.46 2qrg h TYR 75 Ca 0.14 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 2qrg h TYR 75 Cb 0.49 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.43 2qrg h TYR 75 CO 0.03 0.83 -0.39 0.93 -1.64 0.00 0.00 178.16 177.91 2qrg h GLU 76 N 1.06 0.37 0.00 1.82 4.39 -0.94 -3.32 114.58 117.96 2qrg h GLU 76 Ca 0.25 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2qrg h GLU 76 Cb 0.16 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2qrg h GLU 76 CO -0.03 0.97 -0.31 0.87 -1.16 0.00 0.00 179.01 179.35 2qrg h LYS 77 N -0.13 0.00 -6.49 2.33 1.57 -1.04 -3.49 116.57 109.32 2qrg h LYS 77 Ca -0.03 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.25 2qrg h LYS 77 Cb 1.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.38 2qrg h LYS 77 CO 0.08 0.26 -0.94 -3.47 -0.57 0.00 0.00 179.45 174.81 2qrg n ASP 78 N -3.15 -3.17 -4.86 0.86 2.03 0.24 -4.97 116.55 103.53 2qrg n ASP 78 Ca 0.03 -1.08 -0.29 0.00 0.52 0.00 0.00 54.79 53.96 2qrg n ASP 78 Cb 0.64 -2.86 0.10 0.00 -0.72 0.00 0.00 41.12 38.28 2qrg n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qrg s PRO 79 N -6.51 1.83 0.22 -0.67 0.04 -1.26 -4.98 135.00 123.66 2qrg s PRO 79 Ca 0.30 0.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 2qrg s PRO 79 Cb -0.13 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2qrg s PRO 79 CO 0.90 -1.71 1.65 0.21 0.04 0.00 0.00 177.00 178.09 2qrg s LYS 80 N -5.43 4.15 -0.09 4.56 2.20 -1.26 -4.97 119.74 118.89 2qrg s LYS 80 Ca 0.62 2.54 -0.09 0.00 -0.36 0.00 0.00 55.97 58.68 2qrg s LYS 80 Cb -0.12 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2qrg s LYS 80 CO 0.51 -0.69 0.21 1.03 -0.36 0.00 0.00 175.35 176.05 2qrg s ARG 81 N 0.80 3.58 -0.20 4.03 1.81 -0.14 -4.56 118.95 124.27 2qrg s ARG 81 Ca 0.71 0.00 -0.05 0.00 -1.72 0.00 0.00 55.73 54.67 2qrg s ARG 81 Cb -0.48 -3.21 -0.02 0.00 -0.45 0.00 0.00 34.95 30.79 2qrg s ARG 81 CO 0.35 0.74 0.00 0.42 -0.68 0.00 0.00 175.30 176.13 2qrg s ILE 82 N -0.99 3.94 -0.28 1.52 -1.09 -0.40 -1.20 121.20 122.70 2qrg s ILE 82 Ca 0.17 -0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.25 2qrg s ILE 82 Cb -0.13 -2.79 0.04 0.00 -1.58 0.00 0.00 42.46 38.00 2qrg s ILE 82 CO 0.06 0.42 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.88 2qrg s TYR 83 N 1.07 3.19 -0.46 3.97 2.02 0.85 -0.65 117.35 127.33 2qrg s TYR 83 Ca 0.02 -1.67 -0.15 0.00 -0.37 0.00 0.00 57.07 54.90 2qrg s TYR 83 Cb -0.14 -2.11 0.07 0.00 -0.40 0.00 0.00 41.96 39.37 2qrg s TYR 83 CO 0.02 -0.76 0.38 -0.47 -1.57 0.00 0.00 175.55 173.15 2qrg s TYR 84 N 1.31 3.25 -0.22 2.71 5.04 -0.13 -0.61 117.35 128.69 2qrg s TYR 84 Ca -0.03 -0.91 -0.14 0.00 -2.44 0.00 0.00 57.07 53.55 2qrg s TYR 84 Cb -0.18 -3.11 -0.04 0.00 0.35 0.00 0.00 41.96 38.98 2qrg s TYR 84 CO -0.02 -0.78 0.31 -0.51 -1.34 0.00 0.00 175.55 173.22 2qrg s LEU 85 N 1.64 4.12 -0.07 6.97 1.02 -0.62 -1.39 118.68 130.36 2qrg s LEU 85 Ca 0.04 0.35 -0.12 0.00 0.02 0.00 0.00 54.13 54.42 2qrg s LEU 85 Cb -0.24 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.63 2qrg s LEU 85 CO 0.07 -0.04 0.30 -0.55 0.02 0.00 0.00 176.35 176.14 2qrg s SER 86 N 1.14 -0.25 0.00 2.29 0.15 -0.90 -1.94 113.70 114.20 2qrg s SER 86 Ca 0.15 0.35 0.29 0.00 0.70 0.00 0.00 55.95 57.43 2qrg s SER 86 Cb -0.14 0.48 1.17 0.00 -1.71 0.00 0.00 66.02 65.81 2qrg s SER 86 CO 0.07 -0.26 1.84 0.18 1.20 0.00 0.00 173.24 176.27 2qrg n LEU 87 N 2.15 0.27 -3.84 3.45 7.99 -1.26 -4.15 117.00 121.60 2qrg n LEU 87 Ca -0.17 0.19 -0.17 0.00 -0.01 0.00 0.00 56.01 55.85 2qrg n LEU 87 Cb 0.57 -0.30 -0.16 0.00 -0.11 0.00 0.00 43.42 43.42 2qrg n LEU 87 CO 0.19 0.05 -0.38 -1.61 -1.51 0.00 0.00 177.39 174.13 2qrg s GLU 88 N -2.71 0.33 -0.24 3.23 2.02 -1.26 -4.69 118.70 115.37 2qrg s GLU 88 Ca 0.22 0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 2qrg s GLU 88 Cb 0.19 -0.47 0.08 0.00 0.10 0.00 0.00 34.13 34.03 2qrg s GLU 88 CO 0.52 -0.11 0.07 -0.06 0.02 0.00 0.00 175.26 175.71 2qrg s PHE 89 N 0.87 1.03 -0.97 1.61 0.40 -0.40 -4.53 117.98 115.99 2qrg s PHE 89 Ca -0.09 -1.06 -0.15 0.00 -0.60 0.00 0.00 56.93 55.04 2qrg s PHE 89 Cb -0.12 -1.16 0.19 0.00 0.51 0.00 0.00 43.02 42.44 2qrg s PHE 89 CO -0.01 -0.71 1.04 -0.47 0.70 0.00 0.00 175.22 175.77 2qrg s TYR 90 N 1.86 3.62 0.01 0.36 6.14 -0.08 -3.39 117.35 125.86 2qrg s TYR 90 Ca 0.04 -1.95 0.11 0.00 0.64 0.00 0.00 57.07 55.90 2qrg s TYR 90 Cb -0.17 -4.04 -0.17 0.00 0.42 0.00 0.00 41.96 38.00 2qrg s TYR 90 CO -0.18 -1.20 1.09 0.52 0.64 0.00 0.00 175.55 176.43 2qrg h MET 91 N 7.81 0.00 0.00 4.97 2.86 -1.73 -3.41 114.93 125.43 2qrg h MET 91 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2qrg h MET 91 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2qrg h MET 91 CO 0.98 0.72 0.00 0.41 1.06 0.00 0.00 176.91 180.08 2qrg n GLY 92 N 1.39 0.30 3.85 8.32 0.00 -1.07 -4.81 105.19 113.17 2qrg n GLY 92 Ca -0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2qrg n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrg s ARG 93 N 0.00 3.93 -0.04 1.61 0.52 -1.26 -1.56 118.95 122.15 2qrg s ARG 93 Ca 0.00 0.86 0.08 0.00 -0.52 0.00 0.00 55.73 56.14 2qrg s ARG 93 Cb 0.00 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 2qrg s ARG 93 CO 0.00 -0.21 0.11 2.41 0.02 0.00 0.00 175.30 177.64 2qrg n THR 94 N -1.46 0.23 0.36 0.02 -1.04 -1.26 -4.67 114.28 106.46 2qrg n THR 94 Ca 0.06 -0.24 -0.18 0.00 -2.04 0.00 0.00 64.05 61.65 2qrg n THR 94 Cb 0.54 -0.17 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 2qrg n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2qrg h LEU 95 N 0.00 -0.74 -0.60 -4.42 5.85 -1.96 -1.49 115.31 111.94 2qrg h LEU 95 Ca -0.09 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2qrg h LEU 95 Cb 0.85 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2qrg h LEU 95 CO 0.00 -0.52 0.11 -0.61 -0.34 0.00 0.00 178.44 177.09 2qrg h GLN 96 N -0.89 0.98 -0.89 1.25 4.15 -1.97 -2.36 115.11 115.38 2qrg h GLN 96 Ca -0.09 -0.25 0.06 0.00 0.77 0.00 0.00 58.65 59.14 2qrg h GLN 96 Cb 0.68 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 2qrg h GLN 96 CO 0.15 0.91 0.55 -0.97 -1.93 0.00 0.00 178.83 177.55 2qrg h ASN 97 N 0.88 0.87 -0.43 -0.69 -0.73 -1.81 0.01 115.58 113.68 2qrg h ASN 97 Ca 0.18 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.31 2qrg h ASN 97 Cb 0.40 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 2qrg h ASN 97 CO 0.01 0.55 0.05 0.74 -0.37 0.00 0.00 177.43 178.41 2qrg h THR 98 N 1.00 1.25 -0.57 -3.57 2.02 -1.02 -1.80 112.91 110.22 2qrg h THR 98 Ca 0.39 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 2qrg h THR 98 Cb 0.18 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2qrg h THR 98 CO -0.18 0.32 0.30 0.24 0.37 0.00 0.00 175.52 176.57 2qrg h MET 99 N 0.59 0.81 -0.11 6.66 2.86 -0.93 -1.53 114.93 123.27 2qrg h MET 99 Ca 0.13 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2qrg h MET 99 Cb 0.41 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2qrg h MET 99 CO 0.01 0.64 0.01 0.28 1.06 0.00 0.00 176.91 178.92 2qrg h VAL 100 N 0.78 0.94 0.00 -2.22 2.07 -0.88 0.12 116.25 117.06 2qrg h VAL 100 Ca 0.20 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2qrg h VAL 100 Cb 0.08 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2qrg h VAL 100 CO -0.03 0.01 -0.05 0.78 0.02 0.00 0.00 177.57 178.30 2qrg h ASN 101 N 0.06 0.00 -0.03 0.57 4.21 -1.19 -2.86 115.58 116.35 2qrg h ASN 101 Ca 0.05 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.56 2qrg h ASN 101 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2qrg h ASN 101 CO -0.08 0.05 -0.03 0.18 -1.29 0.00 0.00 177.43 176.27 2qrg n LEU 102 N -3.15 2.90 -3.45 1.61 4.32 -0.59 -0.88 117.00 117.76 2qrg n LEU 102 Ca 0.01 -0.99 -0.23 0.00 -0.02 0.00 0.00 56.01 54.79 2qrg n LEU 102 Cb 0.38 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2qrg n LEU 102 CO 0.30 0.49 0.24 0.00 -1.22 0.00 0.00 177.39 177.19 2qrg n ALA 103 N 1.24 -1.25 0.41 -1.18 0.00 -0.30 -4.94 120.51 114.49 2qrg n ALA 103 Ca 0.13 0.39 0.06 0.00 0.00 0.00 0.00 53.44 54.02 2qrg n ALA 103 Cb 0.58 -5.29 0.06 0.00 0.00 0.00 0.00 19.45 14.80 2qrg n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qrg n LEU 104 N -4.80 2.01 0.12 0.00 4.32 0.28 -4.51 117.00 114.41 2qrg n LEU 104 Ca 0.01 -1.09 -0.14 0.00 -0.02 0.00 0.00 56.01 54.77 2qrg n LEU 104 Cb 0.56 -0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 2qrg n LEU 104 CO 0.62 0.40 0.76 -0.08 -1.22 0.00 0.00 177.39 177.87 2qrg h GLU 105 N 2.16 -0.24 -0.61 3.23 4.81 -1.62 -0.88 114.58 121.44 2qrg h GLU 105 Ca 0.00 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2qrg h GLU 105 Cb 0.49 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2qrg h GLU 105 CO 0.00 -0.09 0.07 -0.91 -0.73 0.00 0.00 179.01 177.35 2qrg h ASN 106 N -0.33 0.98 -0.33 1.04 2.35 -1.51 -0.86 115.58 116.91 2qrg h ASN 106 Ca -0.02 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2qrg h ASN 106 Cb 0.26 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2qrg h ASN 106 CO 0.04 0.99 0.19 0.00 -1.65 0.00 0.00 177.43 177.01 2qrg h ALA 107 N 1.12 0.42 -0.29 -0.83 0.00 -1.60 -0.65 119.26 117.44 2qrg h ALA 107 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2qrg h ALA 107 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qrg h ALA 107 CO 0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 179.25 178.93 2qrg h ASP 109 N 0.50 0.47 0.25 0.00 1.82 -0.91 -1.02 116.42 117.52 2qrg h ASP 109 Ca 0.07 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2qrg h ASP 109 Cb 0.72 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.61 2qrg h ASP 109 CO 0.06 0.46 -0.12 -0.08 -1.61 0.00 0.00 179.24 177.94 2qrg h GLU 110 N 0.45 -0.32 -0.59 0.28 4.57 -0.96 -1.34 114.58 116.67 2qrg h GLU 110 Ca 0.13 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.42 2qrg h GLU 110 Cb 0.10 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 2qrg h GLU 110 CO -0.02 -0.10 0.20 0.00 -1.18 0.00 0.00 179.01 177.91 2qrg h ALA 111 N 0.22 0.75 -0.22 2.92 0.00 -0.94 -0.54 119.26 121.44 2qrg h ALA 111 Ca -0.03 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2qrg h ALA 111 Cb 0.37 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qrg h ALA 111 CO 0.06 -0.22 -0.53 1.79 0.00 0.00 0.00 179.25 180.35 2qrg h THR 112 N 0.37 1.31 -0.85 0.00 1.35 -1.20 -2.68 112.91 111.21 2qrg h THR 112 Ca 0.30 -1.76 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 2qrg h THR 112 Cb 0.38 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 2qrg h THR 112 CO -0.32 0.56 0.56 0.22 -0.25 0.00 0.00 175.52 176.29 2qrg h TYR 113 N 0.50 1.06 0.00 4.73 3.20 -0.56 0.10 116.97 126.01 2qrg h TYR 113 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2qrg h TYR 113 Cb 1.09 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 2qrg h TYR 113 CO 0.05 0.66 -0.14 1.96 -1.64 0.00 0.00 178.16 179.05 2qrg h GLN 114 N 1.14 0.00 -0.01 1.82 4.20 -1.05 -1.79 115.11 119.41 2qrg h GLN 114 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2qrg h GLN 114 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2qrg h GLN 114 CO -0.07 0.14 -0.01 1.28 -0.67 0.00 0.00 178.83 179.50 2qrg n LEU 115 N -3.37 0.92 0.00 1.46 4.32 -0.74 -4.93 117.00 114.67 2qrg n LEU 115 Ca -0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 2qrg n LEU 115 Cb 0.34 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2qrg n LEU 115 CO 0.31 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 2qrg n GLY 116 N 1.13 0.42 3.29 -0.72 0.00 -0.67 -5.07 105.19 103.56 2qrg n GLY 116 Ca 0.20 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 2qrg n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrg s LEU 117 N 0.00 2.30 -0.35 0.99 1.43 0.28 -5.01 118.68 118.32 2qrg s LEU 117 Ca 0.00 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.28 2qrg s LEU 117 Cb 0.00 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 2qrg s LEU 117 CO 0.00 0.07 0.26 -0.62 0.23 0.00 0.00 176.35 176.29 2qrg s ASP 118 N -1.89 6.08 0.37 2.29 3.68 -1.26 -3.10 116.67 122.84 2qrg s ASP 118 Ca 0.07 -0.50 0.06 0.00 2.13 0.00 0.00 52.55 54.31 2qrg s ASP 118 Cb -0.10 -2.15 0.71 0.00 -1.45 0.00 0.00 42.92 39.94 2qrg s ASP 118 CO 0.04 -0.28 1.93 -0.03 0.13 0.00 0.00 175.17 176.96 2qrg h MET 119 N 8.52 0.47 -0.08 4.34 1.85 -1.92 -2.34 114.93 125.76 2qrg h MET 119 Ca -0.30 -0.08 -0.08 0.00 -0.61 0.00 0.00 59.70 58.63 2qrg h MET 119 Cb 1.15 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.09 2qrg h MET 119 CO 0.66 0.46 -0.32 0.93 -0.40 0.00 0.00 176.91 178.24 2qrg h GLU 120 N 0.46 0.16 -0.39 0.39 5.08 -1.99 -0.52 114.58 117.76 2qrg h GLU 120 Ca 0.11 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2qrg h GLU 120 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2qrg h GLU 120 CO 0.00 0.46 -0.20 1.49 -1.00 0.00 0.00 179.01 179.77 2qrg h GLU 121 N 0.14 0.82 -0.70 2.33 4.81 -1.86 -3.03 114.58 117.09 2qrg h GLU 121 Ca 0.02 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 2qrg h GLU 121 Cb 0.63 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2qrg h GLU 121 CO 0.05 1.00 0.19 -0.07 -0.73 0.00 0.00 179.01 179.44 2qrg h LEU 122 N 0.63 1.04 -1.58 1.64 4.07 -1.12 -2.91 115.31 117.08 2qrg h LEU 122 Ca 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 2qrg h LEU 122 Cb 0.75 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2qrg h LEU 122 CO 0.06 0.99 0.14 -0.33 -1.08 0.00 0.00 178.44 178.22 2qrg h GLU 123 N 1.05 0.42 0.00 1.13 5.08 -1.06 -2.51 114.58 118.68 2qrg h GLU 123 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2qrg h GLU 123 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qrg h GLU 123 CO -0.00 0.34 0.00 0.39 -1.00 0.00 0.00 179.01 178.73 2qrg n GLU 124 N -4.43 0.15 0.08 2.33 -0.58 -1.10 -2.96 120.64 114.14 2qrg n GLU 124 Ca 0.01 0.38 -0.07 0.00 -0.42 0.00 0.00 57.16 57.06 2qrg n GLU 124 Cb 0.12 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.16 2qrg n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2qrg h ILE 125 N 0.00 1.59 -3.48 -3.67 2.04 -1.54 -3.46 117.51 109.00 2qrg h ILE 125 Ca 0.00 -2.94 -0.53 0.00 1.00 0.00 0.00 64.86 62.38 2qrg h ILE 125 Cb 0.34 2.63 0.08 0.00 -0.74 0.00 0.00 36.82 39.13 2qrg h ILE 125 CO 0.00 0.85 0.83 -0.70 0.00 0.00 0.00 178.15 179.13 2qrg s GLU 126 N -3.00 4.16 0.34 2.37 2.12 -1.15 -4.99 118.70 118.55 2qrg s GLU 126 Ca -0.01 2.50 -0.26 0.00 0.36 0.00 0.00 54.97 57.57 2qrg s GLU 126 Cb 0.10 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.36 2qrg s GLU 126 CO 0.82 -0.55 0.98 -1.21 -0.54 0.00 0.00 175.26 174.76 2qrg s GLU 127 N -0.83 4.47 0.35 4.30 0.41 -1.26 -4.98 118.70 121.16 2qrg s GLU 127 Ca 0.60 1.40 -0.28 0.00 -0.41 0.00 0.00 54.97 56.27 2qrg s GLU 127 Cb -0.46 -2.73 -0.11 0.00 -1.78 0.00 0.00 34.13 29.05 2qrg s GLU 127 CO 0.50 0.16 1.42 -0.51 -0.49 0.00 0.00 175.26 176.33 2qrg s ASP 128 N -1.58 6.53 -0.92 -0.19 1.11 -1.26 -4.53 116.67 115.82 2qrg s ASP 128 Ca 0.52 2.89 -0.22 0.00 0.18 0.00 0.00 52.55 55.92 2qrg s ASP 128 Cb -0.20 -2.66 0.07 0.00 1.07 0.00 0.00 42.92 41.21 2qrg s ASP 128 CO 0.25 -0.73 1.29 0.00 1.18 0.00 0.00 175.17 177.16 2qrg s ALA 129 N -1.03 2.94 -0.89 5.23 0.00 -0.60 -4.91 121.76 122.50 2qrg s ALA 129 Ca 0.52 -2.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 2qrg s ALA 129 Cb -0.44 -4.30 0.23 0.00 0.00 0.00 0.00 23.12 18.62 2qrg s ALA 129 CO 0.58 -3.32 2.22 0.41 0.00 0.00 0.00 175.76 175.64 2qrg n GLY 130 N 6.15 5.36 1.84 0.00 0.00 -1.26 -2.16 105.19 115.13 2qrg n GLY 130 Ca 0.23 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 2qrg n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qrg n LEU 131 N 0.33 6.23 -3.76 0.99 4.77 -1.22 -0.73 117.00 123.62 2qrg n LEU 131 Ca 0.53 -3.17 -0.08 0.00 -0.03 0.00 0.00 56.01 53.25 2qrg n LEU 131 Cb 0.32 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 2qrg n LEU 131 CO 0.50 1.16 0.47 -0.83 -1.33 0.00 0.00 177.39 177.37 2qrg s GLY 132 N 0.23 -0.21 -0.09 -0.72 0.00 -1.26 -1.27 107.32 103.99 2qrg s GLY 132 Ca 0.29 -0.10 0.12 0.00 0.00 0.00 0.00 44.72 45.03 2qrg s GLY 132 CO 0.00 -0.03 0.49 0.70 0.00 0.00 0.00 173.10 174.26 2qrg n ASN 133 N -0.44 0.77 0.00 1.64 3.02 -1.26 -4.47 115.26 114.52 2qrg n ASN 133 Ca -0.07 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2qrg n ASN 133 Cb 0.60 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 2qrg n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrg n GLY 134 N 1.64 -0.35 0.27 7.41 0.00 -1.26 -4.92 105.19 107.98 2qrg n GLY 134 Ca -0.22 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2qrg n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qrg h GLY 135 N 0.00 0.99 0.83 -0.02 0.00 -1.98 -1.05 103.07 101.84 2qrg h GLY 135 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2qrg h GLY 135 CO 0.00 0.28 0.00 -2.00 0.00 0.00 0.00 176.54 174.83 2qrg h LEU 136 N 0.85 0.36 -0.76 3.11 6.46 -1.98 0.03 115.31 123.39 2qrg h LEU 136 Ca 0.27 -0.30 -0.12 0.00 -0.12 0.00 0.00 57.88 57.61 2qrg h LEU 136 Cb 0.00 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 2qrg h LEU 136 CO -0.10 0.57 -0.30 1.23 -0.62 0.00 0.00 178.44 179.22 2qrg h GLY 137 N 0.13 0.66 1.62 3.75 0.00 -1.77 -2.77 103.07 104.69 2qrg h GLY 137 Ca 0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2qrg h GLY 137 CO 0.01 0.53 -0.60 -0.09 0.00 0.00 0.00 176.54 176.40 2qrg h ARG 138 N 0.52 0.39 -0.51 4.80 9.65 -1.09 -0.10 114.38 128.04 2qrg h ARG 138 Ca 0.06 -0.27 0.03 0.00 -1.10 0.00 0.00 59.98 58.71 2qrg h ARG 138 Cb 0.78 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.36 2qrg h ARG 138 CO 0.06 0.88 0.29 1.25 2.80 0.00 0.00 179.97 185.25 2qrg h LEU 139 N 0.29 0.45 -0.89 3.80 5.85 -0.87 -0.85 115.31 123.10 2qrg h LEU 139 Ca -0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2qrg h LEU 139 Cb 1.13 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 2qrg h LEU 139 CO 0.10 0.32 0.55 0.00 -0.34 0.00 0.00 178.44 179.07 2qrg h ALA 140 N 1.24 1.26 -0.22 1.25 0.00 -1.37 0.64 119.26 122.06 2qrg h ALA 140 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qrg h ALA 140 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qrg h ALA 140 CO -0.11 0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.42 2qrg h ALA 141 N 1.44 0.29 -0.89 0.00 0.00 -1.09 -1.30 119.26 117.71 2qrg h ALA 141 Ca 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qrg h ALA 141 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qrg h ALA 141 CO -0.20 -0.01 0.48 0.00 0.00 0.00 0.00 179.25 179.53 2qrg h PHE 143 N 1.24 0.88 -0.64 0.00 -1.00 -0.69 -1.40 116.94 115.33 2qrg h PHE 143 Ca 0.31 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.11 2qrg h PHE 143 Cb 0.03 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 2qrg h PHE 143 CO 0.01 0.55 0.39 -0.07 -1.61 0.00 0.00 178.31 177.58 2qrg h LEU 144 N 0.95 0.76 -0.19 1.54 3.38 -0.92 -0.09 115.31 120.75 2qrg h LEU 144 Ca 0.26 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2qrg h LEU 144 Cb -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2qrg h LEU 144 CO -0.06 0.60 0.09 -0.78 0.09 0.00 0.00 178.44 178.38 2qrg h ASP 145 N 0.87 0.14 -0.56 -0.43 3.58 -1.09 -2.37 116.42 116.55 2qrg h ASP 145 Ca 0.23 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.60 2qrg h ASP 145 Cb -0.03 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2qrg h ASP 145 CO -0.04 0.11 0.03 0.28 -2.88 0.00 0.00 179.24 176.74 2qrg h SER 146 N 0.20 0.97 -0.61 2.28 0.02 -1.03 -1.52 113.55 113.86 2qrg h SER 146 Ca 0.08 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 2qrg h SER 146 Cb 0.01 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2qrg h SER 146 CO -0.05 1.01 0.22 0.24 -1.14 0.00 0.00 176.83 177.11 2qrg h MET 147 N 0.93 0.97 -0.35 3.45 2.86 -0.86 0.45 114.93 122.38 2qrg h MET 147 Ca 0.17 -0.18 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 2qrg h MET 147 Cb 0.50 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2qrg h MET 147 CO 0.02 0.82 -0.41 0.00 1.06 0.00 0.00 176.91 178.40 2qrg h ALA 148 N 1.30 0.52 -0.06 6.32 0.00 -1.31 -1.08 119.26 124.94 2qrg h ALA 148 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2qrg h ALA 148 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qrg h ALA 148 CO -0.01 0.65 -0.26 1.15 0.00 0.00 0.00 179.25 180.78 2qrg h THR 149 N 0.70 1.22 -0.52 0.00 2.02 -0.91 -2.58 112.91 112.83 2qrg h THR 149 Ca 0.05 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2qrg h THR 149 Cb 1.01 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2qrg h THR 149 CO 0.10 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.47 2qrg n LEU 150 N -4.19 3.14 -2.39 2.58 4.77 0.12 -4.70 117.00 116.32 2qrg n LEU 150 Ca -0.02 -1.57 -0.19 0.00 -0.03 0.00 0.00 56.01 54.20 2qrg n LEU 150 Cb 0.34 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2qrg n LEU 150 CO 0.38 0.69 -0.11 0.61 -1.33 0.00 0.00 177.39 177.64 2qrg n GLY 151 N 1.22 -0.38 3.82 -0.72 0.00 -0.97 -0.36 105.19 107.80 2qrg n GLY 151 Ca 0.18 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2qrg n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qrg s LEU 152 N -5.59 4.44 -1.29 0.99 1.43 -0.44 -4.71 118.68 113.50 2qrg s LEU 152 Ca 0.14 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 2qrg s LEU 152 Cb -0.06 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 43.01 2qrg s LEU 152 CO 0.18 0.17 1.98 0.00 0.23 0.00 0.00 176.35 178.90 2qrg n ALA 153 N 1.23 4.13 -2.51 4.21 0.00 -1.26 -4.65 120.51 121.66 2qrg n ALA 153 Ca -0.07 -3.71 -0.31 0.00 0.00 0.00 0.00 53.44 49.34 2qrg n ALA 153 Cb 0.51 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.27 2qrg n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrg s ALA 154 N 4.62 2.76 -0.06 0.00 0.00 -1.26 -1.27 121.76 126.54 2qrg s ALA 154 Ca 0.53 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2qrg s ALA 154 Cb 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2qrg s ALA 154 CO 0.02 0.59 -0.07 0.71 0.00 0.00 0.00 175.76 177.01 2qrg s TYR 155 N -0.94 1.08 -0.10 0.00 2.02 0.17 -4.06 117.35 115.53 2qrg s TYR 155 Ca 0.15 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.31 2qrg s TYR 155 Cb -0.11 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 2qrg s TYR 155 CO 0.06 -0.27 0.42 0.20 -1.57 0.00 0.00 175.55 174.39 2qrg s GLY 156 N 0.99 2.37 -0.09 0.71 0.00 -1.00 -0.96 107.32 109.35 2qrg s GLY 156 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.40 2qrg s GLY 156 CO 0.00 0.53 -0.17 -0.19 0.00 0.00 0.00 173.10 173.27 2qrg s TYR 157 N 0.13 1.96 0.00 1.90 2.02 -0.49 -0.26 117.35 122.62 2qrg s TYR 157 Ca 0.23 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 2qrg s TYR 157 Cb -0.15 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2qrg s TYR 157 CO 0.10 -0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 2qrg n GLY 158 N 3.77 3.58 3.37 0.71 0.00 -0.94 -2.11 105.19 113.58 2qrg n GLY 158 Ca -0.21 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 2qrg n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qrg s ILE 159 N -1.80 2.72 -1.02 -0.61 1.01 -1.26 -1.36 121.20 118.88 2qrg s ILE 159 Ca 0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 2qrg s ILE 159 Cb 0.00 -2.06 0.10 0.00 0.01 0.00 0.00 42.46 40.51 2qrg s ILE 159 CO 0.00 0.56 1.31 -0.60 0.00 0.00 0.00 174.94 176.22 2qrg s ARG 160 N -0.23 3.68 0.21 2.79 3.52 -0.18 -4.76 118.95 123.98 2qrg s ARG 160 Ca -0.00 -1.66 -0.30 0.00 -0.13 0.00 0.00 55.73 53.64 2qrg s ARG 160 Cb -0.13 -5.13 -0.09 0.00 -1.56 0.00 0.00 34.95 28.04 2qrg s ARG 160 CO 0.03 -1.95 1.32 0.71 -0.81 0.00 0.00 175.30 174.60 2qrg s TYR 161 N 3.44 3.22 0.28 5.12 2.02 -1.26 -4.75 117.35 125.42 2qrg s TYR 161 Ca 0.40 1.21 0.03 0.00 -0.37 0.00 0.00 57.07 58.34 2qrg s TYR 161 Cb -0.02 -3.63 0.40 0.00 -0.40 0.00 0.00 41.96 38.31 2qrg s TYR 161 CO -0.07 -1.96 1.70 1.49 -1.57 0.00 0.00 175.55 175.14 2qrg h GLU 162 N 5.23 0.41 -4.66 -0.62 4.81 -0.97 -3.41 114.58 115.37 2qrg h GLU 162 Ca -0.45 -0.17 -0.60 0.00 -0.13 0.00 0.00 59.36 58.01 2qrg h GLU 162 Cb 1.22 -0.02 -0.36 0.00 0.63 0.00 0.00 28.75 30.22 2qrg h GLU 162 CO 0.77 0.69 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.85 2qrg s PHE 163 N -4.35 2.11 0.00 0.92 0.40 0.04 -4.29 117.98 112.81 2qrg s PHE 163 Ca -0.06 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.11 2qrg s PHE 163 Cb 0.13 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 42.11 2qrg s PHE 163 CO 0.79 -0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.48 2qrg n GLY 164 N 4.69 0.80 3.74 4.36 0.00 -1.23 -1.80 105.19 115.75 2qrg n GLY 164 Ca -0.17 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2qrg n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qrg s ILE 165 N 0.79 2.28 0.64 -0.61 1.10 0.09 -4.54 121.20 120.96 2qrg s ILE 165 Ca 0.00 0.23 -0.18 0.00 -0.51 0.00 0.00 60.65 60.19 2qrg s ILE 165 Cb 0.00 -3.15 -0.03 0.00 0.15 0.00 0.00 42.46 39.44 2qrg s ILE 165 CO 0.00 0.03 1.05 2.22 -2.11 0.00 0.00 174.94 176.13 2qrg n PHE 166 N 2.66 1.06 -2.66 3.50 1.16 -1.26 -4.54 117.46 117.39 2qrg n PHE 166 Ca 0.09 0.42 -0.42 0.00 -1.87 0.00 0.00 57.45 55.68 2qrg n PHE 166 Cb 0.38 -2.16 -0.04 0.00 -1.61 0.00 0.00 39.48 36.06 2qrg n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2qrg s ASN 167 N -1.38 7.36 -0.24 5.98 0.01 -0.05 -4.90 114.94 121.71 2qrg s ASN 167 Ca 0.78 1.79 -0.14 0.00 -0.71 0.00 0.00 52.86 54.57 2qrg s ASN 167 Cb -0.39 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.65 2qrg s ASN 167 CO 0.45 -0.23 0.34 -1.58 -1.51 0.00 0.00 177.10 174.58 2qrg s GLN 168 N 0.58 4.08 -0.00 -0.60 0.74 -1.26 -1.47 119.66 121.72 2qrg s GLN 168 Ca 0.51 0.04 0.04 0.00 0.05 0.00 0.00 55.36 56.00 2qrg s GLN 168 Cb -0.24 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2qrg s GLN 168 CO 0.29 -0.14 -0.10 0.15 -0.55 0.00 0.00 175.29 174.95 2qrg s LYS 169 N 1.63 2.47 -0.28 1.67 -0.14 -0.38 -3.85 119.74 120.87 2qrg s LYS 169 Ca 0.15 -0.75 -0.08 0.00 -1.36 0.00 0.00 55.97 53.92 2qrg s LYS 169 Cb -0.15 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.55 2qrg s LYS 169 CO 0.08 0.60 0.11 0.42 -0.76 0.00 0.00 175.35 175.80 2qrg s ILE 170 N -0.93 4.47 -0.18 2.17 -1.09 -1.26 0.40 121.20 124.79 2qrg s ILE 170 Ca 0.15 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2qrg s ILE 170 Cb -0.11 -3.18 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 2qrg s ILE 170 CO 0.06 0.21 -0.08 0.00 -1.23 0.00 0.00 174.94 173.90 2qrg n GLY 172 N 4.80 -0.17 2.34 0.00 0.00 -1.26 -1.92 105.19 108.98 2qrg n GLY 172 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2qrg n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrg n GLY 173 N -0.99 1.31 3.83 -0.02 0.00 -1.26 -5.04 105.19 103.02 2qrg n GLY 173 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2qrg n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qrg s TRP 174 N -3.33 3.33 0.07 1.61 0.52 -0.81 -3.74 118.94 116.60 2qrg s TRP 174 Ca 0.00 0.18 -0.31 0.00 0.02 0.00 0.00 56.10 56.00 2qrg s TRP 174 Cb 0.00 -1.71 -0.06 0.00 -1.15 0.00 0.00 33.47 30.55 2qrg s TRP 174 CO 0.00 0.56 1.24 -1.14 0.02 0.00 0.00 176.95 177.63 2qrg s GLN 175 N -2.20 4.40 0.05 4.98 0.74 -1.26 -0.67 119.66 125.71 2qrg s GLN 175 Ca 0.29 1.84 0.08 0.00 0.05 0.00 0.00 55.36 57.62 2qrg s GLN 175 Cb -0.12 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 2qrg s GLN 175 CO 0.21 -0.30 -0.19 -1.64 -0.55 0.00 0.00 175.29 172.81 2qrg s MET 176 N 1.09 1.98 -0.11 1.67 -1.94 0.16 -4.92 119.30 117.24 2qrg s MET 176 Ca 0.60 -1.03 -0.03 0.00 -1.71 0.00 0.00 55.69 53.52 2qrg s MET 176 Cb -0.31 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 2qrg s MET 176 CO 0.29 0.53 0.01 -1.21 -0.01 0.00 0.00 175.02 174.63 2qrg s GLU 177 N -1.52 3.19 0.07 2.03 8.01 -1.26 -1.24 118.70 127.98 2qrg s GLU 177 Ca 0.15 -0.41 0.05 0.00 0.01 0.00 0.00 54.97 54.77 2qrg s GLU 177 Cb -0.10 -2.87 -0.03 0.00 -4.31 0.00 0.00 34.13 26.82 2qrg s GLU 177 CO 0.05 0.60 -0.13 -1.83 0.01 0.00 0.00 175.26 173.96 2qrg s GLU 178 N -0.59 0.79 0.24 1.61 -1.05 -0.54 -4.99 118.70 114.16 2qrg s GLU 178 Ca 0.10 -0.96 -0.31 0.00 -0.15 0.00 0.00 54.97 53.65 2qrg s GLU 178 Cb -0.12 -0.73 -0.13 0.00 -0.44 0.00 0.00 34.13 32.71 2qrg s GLU 178 CO 0.02 0.16 1.46 0.00 0.95 0.00 0.00 175.26 177.85 2qrg n ALA 179 N 1.22 1.39 -2.92 -0.84 0.00 -1.26 -0.87 120.51 117.22 2qrg n ALA 179 Ca -0.21 0.41 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2qrg n ALA 179 Cb 0.55 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2qrg n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qrg s ASP 180 N 0.41 6.74 -1.46 0.00 3.68 -1.26 -4.65 116.67 120.13 2qrg s ASP 180 Ca 0.69 -2.29 -0.10 0.00 2.13 0.00 0.00 52.55 52.99 2qrg s ASP 180 Cb -0.63 -2.40 0.03 0.00 -1.45 0.00 0.00 42.92 38.47 2qrg s ASP 180 CO 0.48 -0.99 2.50 -0.67 0.13 0.00 0.00 175.17 176.62 2qrg n ASP 181 N 6.36 6.97 0.21 -0.34 2.03 -1.26 -3.52 116.55 127.00 2qrg n ASP 181 Ca 0.28 -2.85 0.15 0.00 0.52 0.00 0.00 54.79 52.88 2qrg n ASP 181 Cb 0.47 -1.52 0.64 0.00 -0.72 0.00 0.00 41.12 39.99 2qrg n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2qrg h TRP 182 N 5.23 0.00 -0.29 -0.67 5.08 -1.92 -2.68 115.95 120.71 2qrg h TRP 182 Ca 0.69 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.66 2qrg h TRP 182 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 2qrg h TRP 182 CO 1.63 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.07 2qrg n LEU 183 N -2.63 2.92 -0.20 0.11 4.77 -1.26 -4.61 117.00 116.10 2qrg n LEU 183 Ca 0.01 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 2qrg n LEU 183 Cb 0.23 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2qrg n LEU 183 CO 0.22 0.61 0.96 -0.09 -1.33 0.00 0.00 177.39 177.75 2qrg h ARG 184 N 3.90 0.34 -0.27 3.23 2.43 -1.87 -1.20 114.38 120.93 2qrg h ARG 184 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qrg h ARG 184 Cb 0.85 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2qrg h ARG 184 CO 0.00 0.22 0.00 0.66 -1.51 0.00 0.00 179.97 179.34 2qrg n TYR 185 N -5.05 0.34 0.00 2.20 4.01 -1.26 -5.05 117.16 112.35 2qrg n TYR 185 Ca 0.09 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2qrg n TYR 185 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2qrg n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qrg n GLY 186 N 1.31 0.80 2.99 2.72 0.00 -0.46 -4.97 105.19 107.58 2qrg n GLY 186 Ca 0.17 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2qrg n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qrg s ASN 187 N -1.18 4.47 0.39 1.61 2.47 -1.26 -4.87 114.94 116.57 2qrg s ASN 187 Ca 0.00 -1.77 0.28 0.00 0.42 0.00 0.00 52.86 51.79 2qrg s ASN 187 Cb 0.00 -1.46 1.17 0.00 -1.45 0.00 0.00 41.25 39.52 2qrg s ASN 187 CO 0.00 -0.32 1.84 1.55 -3.72 0.00 0.00 177.10 176.45 2qrg h PRO 188 N 7.75 0.00 0.00 0.43 0.13 -1.99 -3.20 132.00 135.12 2qrg h PRO 188 Ca -0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.86 2qrg h PRO 188 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2qrg h PRO 188 CO 0.48 0.00 -0.90 -1.49 -0.23 0.00 0.00 178.00 175.87 2qrg h TRP 189 N 0.00 0.00 -3.51 1.56 4.06 -1.96 -3.47 115.95 112.64 2qrg h TRP 189 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 2qrg h TRP 189 Cb 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2qrg h TRP 189 CO 0.00 0.71 -0.03 -1.83 -3.56 0.00 0.00 178.44 173.73 2qrg s GLU 190 N -2.85 3.82 -0.22 0.49 -1.05 -1.21 -4.28 118.70 113.41 2qrg s GLU 190 Ca 0.01 0.36 0.01 0.00 -0.15 0.00 0.00 54.97 55.20 2qrg s GLU 190 Cb 0.09 -2.55 0.05 0.00 -0.44 0.00 0.00 34.13 31.27 2qrg s GLU 190 CO 0.79 0.20 -0.10 0.21 0.95 0.00 0.00 175.26 177.31 2qrg s LYS 191 N -3.14 2.01 0.32 -4.83 2.47 0.63 -4.94 119.74 112.25 2qrg s LYS 191 Ca 0.49 -0.96 -0.29 0.00 -1.56 0.00 0.00 55.97 53.65 2qrg s LYS 191 Cb -0.11 -2.54 -0.11 0.00 -1.46 0.00 0.00 37.83 33.61 2qrg s LYS 191 CO 0.23 -0.48 1.54 0.00 0.16 0.00 0.00 175.35 176.80 2qrg s ALA 192 N 1.34 3.68 -0.54 3.13 0.00 -1.26 -0.98 121.76 127.13 2qrg s ALA 192 Ca -0.03 1.55 0.07 0.00 0.00 0.00 0.00 51.96 53.55 2qrg s ALA 192 Cb -0.17 -3.63 0.31 0.00 0.00 0.00 0.00 23.12 19.63 2qrg s ALA 192 CO -0.07 -0.99 0.83 0.54 0.00 0.00 0.00 175.76 176.07 2qrg n ARG 193 N 1.61 2.47 0.32 0.00 5.12 0.24 -4.92 116.66 121.50 2qrg n ARG 193 Ca 0.06 -4.43 0.20 0.00 -1.93 0.00 0.00 57.85 51.76 2qrg n ARG 193 Cb 0.38 -2.07 1.11 0.00 -1.16 0.00 0.00 32.46 30.73 2qrg n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qrg h PRO 194 N 3.36 0.00 0.00 5.56 0.13 -1.94 -1.11 132.00 138.01 2qrg h PRO 194 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qrg h PRO 194 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2qrg h PRO 194 CO 0.74 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.56 2qrg h GLU 195 N 0.00 0.00 -0.48 0.86 9.09 -1.94 -2.92 114.58 119.19 2qrg h GLU 195 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 2qrg h GLU 195 Cb 0.08 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.14 2qrg h GLU 195 CO -0.00 0.00 0.06 1.19 0.05 0.00 0.00 179.01 180.31 2qrg n PHE 196 N -2.80 1.66 -1.89 2.06 3.72 -0.42 -5.01 117.46 114.78 2qrg n PHE 196 Ca 0.01 -0.98 -0.41 0.00 -0.05 0.00 0.00 57.45 56.02 2qrg n PHE 196 Cb 0.27 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.32 2qrg n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2qrg s THR 197 N -2.90 2.26 0.04 4.37 2.01 -1.11 -4.68 115.64 115.65 2qrg s THR 197 Ca 0.49 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.80 2qrg s THR 197 Cb 0.39 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2qrg s THR 197 CO 0.11 0.06 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.18 2qrg s LEU 198 N -1.62 2.18 0.24 4.42 1.02 -0.48 -4.94 118.68 119.50 2qrg s LEU 198 Ca 0.54 -0.49 -0.23 0.00 0.02 0.00 0.00 54.13 53.96 2qrg s LEU 198 Cb -0.45 -0.70 -0.09 0.00 0.02 0.00 0.00 46.19 44.98 2qrg s LEU 198 CO 0.57 0.06 0.81 -2.16 0.02 0.00 0.00 176.35 175.65 2qrg s PRO 199 N -1.22 4.46 -0.04 1.29 0.04 -1.26 0.21 135.00 138.48 2qrg s PRO 199 Ca 0.03 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.22 2qrg s PRO 199 Cb -0.08 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 2qrg s PRO 199 CO 0.02 0.41 -0.18 0.08 0.04 0.00 0.00 177.00 177.36 2qrg s VAL 200 N -1.45 1.53 -0.05 -0.36 1.01 0.96 -4.84 120.40 117.20 2qrg s VAL 200 Ca 0.43 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2qrg s VAL 200 Cb -0.19 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2qrg s VAL 200 CO 0.24 0.44 0.02 -1.00 0.00 0.00 0.00 175.10 174.80 2qrg s HIS 201 N -0.03 3.19 0.07 5.22 3.76 -1.26 -0.77 115.29 125.47 2qrg s HIS 201 Ca -0.03 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2qrg s HIS 201 Cb -0.12 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 2qrg s HIS 201 CO 0.02 0.50 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.28 2qrg s PHE 202 N -0.99 0.75 0.00 1.40 0.40 0.11 -4.96 117.98 114.68 2qrg s PHE 202 Ca 0.16 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 2qrg s PHE 202 Cb -0.12 -0.45 0.00 0.00 0.51 0.00 0.00 43.02 42.97 2qrg s PHE 202 CO 0.06 -0.14 0.00 0.66 0.70 0.00 0.00 175.22 176.50 2qrg n TYR 203 N 0.64 0.00 -4.28 0.36 4.01 0.33 -0.67 117.16 117.55 2qrg n TYR 203 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2qrg n TYR 203 Cb 0.58 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2qrg n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qrg n GLY 204 N 0.00 -0.57 3.38 2.72 0.00 -1.24 -4.58 105.19 104.90 2qrg n GLY 204 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2qrg n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qrg s ARG 205 N 0.00 1.17 -0.20 1.61 1.70 -0.47 -4.87 118.95 117.89 2qrg s ARG 205 Ca 0.00 -0.86 -0.09 0.00 -0.47 0.00 0.00 55.73 54.31 2qrg s ARG 205 Cb 0.00 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2qrg s ARG 205 CO 0.00 -0.46 0.11 0.08 -1.08 0.00 0.00 175.30 173.94 2qrg s VAL 206 N -3.86 5.17 -0.17 4.99 1.01 -1.26 -1.20 120.40 125.07 2qrg s VAL 206 Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2qrg s VAL 206 Cb 0.01 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2qrg s VAL 206 CO -0.07 0.44 -0.13 -0.70 0.00 0.00 0.00 175.10 174.64 2qrg s GLU 207 N 0.42 3.24 -0.22 2.72 2.12 0.99 -4.95 118.70 123.02 2qrg s GLU 207 Ca 0.06 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.52 2qrg s GLU 207 Cb -0.12 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2qrg s GLU 207 CO -0.01 -0.03 0.37 -1.01 -0.54 0.00 0.00 175.26 174.04 2qrg s HIS 208 N 0.95 3.34 0.23 5.30 3.76 -1.26 0.11 115.29 127.73 2qrg s HIS 208 Ca -0.02 0.53 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 2qrg s HIS 208 Cb -0.15 -2.51 0.01 0.00 1.11 0.00 0.00 32.58 31.04 2qrg s HIS 208 CO -0.02 -0.05 0.05 0.25 -0.85 0.00 0.00 174.74 174.13 2qrg n THR 209 N 4.50 0.00 -0.08 1.30 -2.24 -0.71 -5.01 114.28 112.04 2qrg n THR 209 Ca -0.09 -1.05 0.04 0.00 -2.27 0.00 0.00 64.05 60.68 2qrg n THR 209 Cb 0.51 0.07 0.38 0.00 -2.10 0.00 0.00 70.33 69.19 2qrg n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qrg h SER 210 N 0.48 0.59 -2.17 3.42 0.02 -2.02 -3.27 113.55 110.60 2qrg h SER 210 Ca -0.18 -0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.14 2qrg h SER 210 Cb 0.57 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 62.57 2qrg h SER 210 CO 0.30 0.42 -0.47 1.67 -1.14 0.00 0.00 176.83 177.61 2qrg n GLN 211 N -4.46 3.47 0.00 3.45 -0.06 -1.26 -5.08 117.38 113.44 2qrg n GLN 211 Ca 0.06 -4.77 0.00 0.00 -2.00 0.00 0.00 57.00 50.29 2qrg n GLN 211 Cb 0.10 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.01 2qrg n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qrg n GLY 212 N -0.27 -2.84 3.83 1.69 0.00 -1.23 -4.96 105.19 101.40 2qrg n GLY 212 Ca 0.34 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2qrg n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrg s ALA 213 N -1.06 3.09 -0.03 4.61 0.00 -1.26 -1.73 121.76 125.38 2qrg s ALA 213 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2qrg s ALA 213 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2qrg s ALA 213 CO 0.00 0.13 -0.05 0.15 0.00 0.00 0.00 175.76 175.98 2qrg s LYS 214 N -3.24 0.69 -0.42 0.00 1.02 0.12 -4.89 119.74 113.02 2qrg s LYS 214 Ca 0.60 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 56.27 2qrg s LYS 214 Cb -0.09 -0.69 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2qrg s LYS 214 CO 0.16 0.02 0.38 -0.46 -0.92 0.00 0.00 175.35 174.53 2qrg s TRP 215 N 0.43 3.20 0.35 3.18 -0.00 -1.26 -0.01 118.94 124.82 2qrg s TRP 215 Ca -0.05 -0.46 0.06 0.00 -0.00 0.00 0.00 56.10 55.65 2qrg s TRP 215 Cb -0.09 -2.77 -0.07 0.00 -0.00 0.00 0.00 33.47 30.54 2qrg s TRP 215 CO 0.00 -0.66 0.00 0.14 -0.00 0.00 0.00 176.95 176.44 2qrg s VAL 216 N 1.95 1.67 -1.47 5.86 -7.23 -0.34 -4.81 120.40 116.04 2qrg s VAL 216 Ca 0.09 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 2qrg s VAL 216 Cb -0.18 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 33.99 2qrg s VAL 216 CO 0.12 -0.08 0.86 0.47 -0.31 0.00 0.00 175.10 176.16 2qrg n ASP 217 N -0.78 -6.05 -4.89 4.85 8.00 -1.26 -1.37 116.55 115.05 2qrg n ASP 217 Ca -0.04 -0.43 -0.29 0.00 0.71 0.00 0.00 54.79 54.74 2qrg n ASP 217 Cb 0.66 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 2qrg n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qrg s THR 218 N -3.23 4.84 -0.06 -3.53 -4.23 -1.26 -3.65 115.64 104.51 2qrg s THR 218 Ca 0.45 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 61.27 2qrg s THR 218 Cb -0.20 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 2qrg s THR 218 CO 0.56 -0.92 0.31 -1.10 -0.54 0.00 0.00 174.62 172.93 2qrg s GLN 219 N -4.81 3.85 -0.15 3.99 -0.21 0.16 -4.91 119.66 117.57 2qrg s GLN 219 Ca 0.50 0.21 -0.04 0.00 0.02 0.00 0.00 55.36 56.05 2qrg s GLN 219 Cb -0.10 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 2qrg s GLN 219 CO 0.47 0.63 -0.02 0.08 -2.12 0.00 0.00 175.29 174.33 2qrg s VAL 220 N -0.77 4.08 -0.04 1.09 1.01 -1.26 -0.72 120.40 123.80 2qrg s VAL 220 Ca 0.20 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2qrg s VAL 220 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2qrg s VAL 220 CO 0.09 0.50 -0.24 -0.69 0.00 0.00 0.00 175.10 174.76 2qrg s VAL 221 N 0.21 1.93 0.21 2.92 1.01 0.05 -4.53 120.40 122.19 2qrg s VAL 221 Ca -0.01 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 2qrg s VAL 221 Cb -0.13 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 2qrg s VAL 221 CO 0.02 0.54 0.70 -0.76 0.00 0.00 0.00 175.10 175.60 2qrg s LEU 222 N -0.29 4.35 -0.29 3.92 1.43 0.40 -0.03 118.68 128.17 2qrg s LEU 222 Ca 0.01 1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2qrg s LEU 222 Cb -0.12 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.62 2qrg s LEU 222 CO 0.02 0.05 -0.00 0.00 0.23 0.00 0.00 176.35 176.65 2qrg s ALA 223 N -1.50 2.82 -0.24 4.21 0.00 0.13 -1.06 121.76 126.12 2qrg s ALA 223 Ca 0.42 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 2qrg s ALA 223 Cb -0.17 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2qrg s ALA 223 CO 0.21 -1.13 0.14 1.41 0.00 0.00 0.00 175.76 176.39 2qrg s MET 224 N 1.30 3.96 0.20 0.00 1.75 0.35 -1.38 119.30 125.47 2qrg s MET 224 Ca -0.03 -0.33 -0.22 0.00 -1.25 0.00 0.00 55.69 53.86 2qrg s MET 224 Cb -0.19 -3.49 -0.08 0.00 2.84 0.00 0.00 34.83 33.91 2qrg s MET 224 CO -0.01 -0.02 0.74 -1.25 -0.65 0.00 0.00 175.02 173.83 2qrg s PRO 225 N 1.24 4.38 -0.11 4.11 0.04 -1.26 -0.54 135.00 142.87 2qrg s PRO 225 Ca 0.07 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2qrg s PRO 225 Cb -0.14 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 2qrg s PRO 225 CO 0.06 0.47 -0.23 0.71 0.04 0.00 0.00 177.00 178.05 2qrg s TYR 226 N -1.36 2.60 -0.15 0.56 1.51 -0.05 -0.60 117.35 119.87 2qrg s TYR 226 Ca 0.40 -1.05 -0.06 0.00 -1.01 0.00 0.00 57.07 55.35 2qrg s TYR 226 Cb -0.19 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 2qrg s TYR 226 CO 0.23 -0.43 0.06 -0.51 -1.11 0.00 0.00 175.55 173.79 2qrg s ASP 227 N 0.41 5.69 -0.08 2.29 -0.00 -0.15 -1.17 116.67 123.67 2qrg s ASP 227 Ca -0.17 0.18 0.05 0.00 -0.00 0.00 0.00 52.55 52.61 2qrg s ASP 227 Cb -0.17 -1.87 -0.00 0.00 -0.00 0.00 0.00 42.92 40.87 2qrg s ASP 227 CO 0.07 0.27 -0.24 -0.89 -0.00 0.00 0.00 175.17 174.39 2qrg s THR 228 N -0.21 2.00 0.32 -1.27 2.01 -0.06 -0.27 115.64 118.15 2qrg s THR 228 Ca 0.08 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.79 2qrg s THR 228 Cb -0.12 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.58 2qrg s THR 228 CO 0.01 0.55 1.10 -2.16 -0.69 0.00 0.00 174.62 173.44 2qrg s PRO 229 N 0.12 4.48 -0.39 4.92 0.04 -1.26 -1.07 135.00 141.84 2qrg s PRO 229 Ca -0.12 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2qrg s PRO 229 Cb -0.16 -3.00 0.11 0.00 0.04 0.00 0.00 34.50 31.49 2qrg s PRO 229 CO 0.06 0.08 0.12 0.08 0.04 0.00 0.00 177.00 177.38 2qrg s VAL 230 N -1.29 2.14 0.17 -0.36 1.01 0.57 -4.88 120.40 117.76 2qrg s VAL 230 Ca 0.49 -2.49 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 2qrg s VAL 230 Cb -0.30 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 2qrg s VAL 230 CO 0.38 -0.67 1.04 -2.16 0.00 0.00 0.00 175.10 173.68 2qrg s PRO 231 N 0.66 4.67 0.71 2.72 0.04 -1.26 -1.00 135.00 141.53 2qrg s PRO 231 Ca 0.13 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 2qrg s PRO 231 Cb -0.21 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.06 2qrg s PRO 231 CO -0.08 0.19 1.07 0.20 0.04 0.00 0.00 177.00 178.42 2qrg s GLY 232 N -0.28 1.62 -0.64 0.56 0.00 0.01 -4.77 107.32 103.83 2qrg s GLY 232 Ca 0.47 -0.53 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 2qrg s GLY 232 CO 0.33 -0.14 1.49 -0.47 0.00 0.00 0.00 173.10 174.31 2qrg s TYR 233 N -3.33 2.10 -1.13 1.90 6.14 -1.26 -4.17 117.35 117.61 2qrg s TYR 233 Ca 0.58 0.36 -0.03 0.00 0.64 0.00 0.00 57.07 58.62 2qrg s TYR 233 Cb -0.11 -4.40 0.02 0.00 0.42 0.00 0.00 41.96 37.90 2qrg s TYR 233 CO 0.49 -2.12 0.18 0.54 0.64 0.00 0.00 175.55 175.28 2qrg n ARG 234 N 9.08 -2.74 -0.04 4.97 1.74 -0.06 -4.81 116.66 124.80 2qrg n ARG 234 Ca 0.11 0.57 0.02 0.00 -0.77 0.00 0.00 57.85 57.78 2qrg n ARG 234 Cb 0.50 -5.21 0.04 0.00 -1.02 0.00 0.00 32.46 26.77 2qrg n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qrg n ASN 235 N -1.98 1.98 -0.89 0.55 2.04 -1.26 -4.95 115.26 110.75 2qrg n ASN 235 Ca -0.10 -1.70 -0.12 0.00 -0.44 0.00 0.00 54.58 52.22 2qrg n ASN 235 Cb 0.59 -0.05 -0.05 0.00 -2.53 0.00 0.00 39.78 37.74 2qrg n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2qrg n ASN 236 N 0.00 -5.73 -4.74 0.53 3.02 -1.26 -1.35 115.26 105.74 2qrg n ASN 236 Ca 0.04 0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 2qrg n ASN 236 Cb 0.24 -4.25 -0.05 0.00 -0.61 0.00 0.00 39.78 35.10 2qrg n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qrg s VAL 237 N -1.98 5.03 -0.22 2.41 1.01 -1.26 -4.79 120.40 120.61 2qrg s VAL 237 Ca 0.00 1.23 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 2qrg s VAL 237 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 2qrg s VAL 237 CO 0.00 0.34 0.02 -0.69 0.00 0.00 0.00 175.10 174.77 2qrg s VAL 238 N 0.33 0.86 0.77 2.92 1.01 -1.26 -0.81 120.40 124.22 2qrg s VAL 238 Ca 0.32 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2qrg s VAL 238 Cb -0.17 -1.32 0.16 0.00 0.00 0.00 0.00 36.38 35.04 2qrg s VAL 238 CO 0.16 -0.22 1.05 0.59 0.00 0.00 0.00 175.10 176.67 2qrg n ASN 239 N 4.92 1.23 -4.23 3.32 3.02 -0.17 -4.63 115.26 118.71 2qrg n ASN 239 Ca -0.09 -2.08 -0.29 0.00 -0.03 0.00 0.00 54.58 52.09 2qrg n ASN 239 Cb 0.46 -0.70 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 2qrg n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qrg s THR 240 N -3.22 1.81 -0.27 3.41 2.01 -1.26 -0.31 115.64 117.81 2qrg s THR 240 Ca 0.68 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2qrg s THR 240 Cb -0.04 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2qrg s THR 240 CO 0.45 0.51 0.07 -0.32 -0.69 0.00 0.00 174.62 174.64 2qrg s MET 241 N -0.21 3.38 -0.27 4.92 1.75 -0.23 -2.37 119.30 126.27 2qrg s MET 241 Ca -0.00 -0.66 -0.07 0.00 -1.25 0.00 0.00 55.69 53.70 2qrg s MET 241 Cb -0.12 -3.32 -0.01 0.00 2.84 0.00 0.00 34.83 34.21 2qrg s MET 241 CO 0.02 -0.31 0.08 0.50 -0.65 0.00 0.00 175.02 174.67 2qrg s ARG 242 N 1.56 3.45 -0.12 4.11 3.52 0.64 -0.89 118.95 131.23 2qrg s ARG 242 Ca 0.05 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2qrg s ARG 242 Cb -0.16 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2qrg s ARG 242 CO 0.03 -0.29 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.57 2qrg s LEU 243 N 1.58 2.66 0.02 -0.88 1.43 -0.31 -2.20 118.68 120.97 2qrg s LEU 243 Ca 0.05 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 2qrg s LEU 243 Cb -0.16 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2qrg s LEU 243 CO 0.03 0.18 0.51 0.26 0.23 0.00 0.00 176.35 177.57 2qrg s TRP 244 N 0.24 3.74 -0.02 0.29 0.52 -0.46 -0.87 118.94 122.39 2qrg s TRP 244 Ca -0.10 1.14 0.07 0.00 0.02 0.00 0.00 56.10 57.24 2qrg s TRP 244 Cb -0.16 -2.45 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 2qrg s TRP 244 CO 0.06 0.54 -0.24 0.45 0.02 0.00 0.00 176.95 177.78 2qrg s SER 245 N -0.84 3.20 -0.01 2.95 0.15 0.30 -1.01 113.70 118.45 2qrg s SER 245 Ca 0.27 -0.44 -0.24 0.00 0.70 0.00 0.00 55.95 56.24 2qrg s SER 245 Cb -0.18 -0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 2qrg s SER 245 CO 0.16 0.32 0.73 0.00 1.20 0.00 0.00 173.24 175.65 2qrg s ALA 246 N -0.65 3.36 -0.01 5.45 0.00 -1.26 -0.50 121.76 128.15 2qrg s ALA 246 Ca 0.10 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2qrg s ALA 246 Cb -0.10 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 2qrg s ALA 246 CO -0.00 -0.00 -0.07 0.15 0.00 0.00 0.00 175.76 175.83 2qrg s LYS 247 N 0.31 0.65 0.28 0.00 -0.14 -0.22 -4.66 119.74 115.96 2qrg s LYS 247 Ca 0.38 -0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 54.45 2qrg s LYS 247 Cb -0.19 -0.63 -0.09 0.00 -1.68 0.00 0.00 37.83 35.23 2qrg s LYS 247 CO 0.21 0.13 1.01 0.00 -0.76 0.00 0.00 175.35 175.93 2qrg s ALA 248 N -0.03 3.32 0.67 5.17 0.00 -1.26 -0.45 121.76 129.17 2qrg s ALA 248 Ca 0.01 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 2qrg s ALA 248 Cb -0.05 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2qrg s ALA 248 CO -0.00 0.04 1.19 -1.25 0.00 0.00 0.00 175.76 175.74 2qrg s PRO 249 N -1.53 2.56 0.57 0.00 0.04 -1.26 -4.87 135.00 130.52 2qrg s PRO 249 Ca 0.45 1.74 0.36 0.00 0.04 0.00 0.00 61.00 63.58 2qrg s PRO 249 Cb -0.27 -1.89 1.63 0.00 0.04 0.00 0.00 34.50 34.02 2qrg s PRO 249 CO 0.33 -1.50 2.09 -0.91 0.04 0.00 0.00 177.00 177.05 2qrg h ASN 250 N 0.22 0.00 -0.47 6.66 2.35 -2.00 -1.26 115.58 121.08 2qrg h ASN 250 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2qrg h ASN 250 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2qrg h ASN 250 CO 0.52 0.02 0.00 -0.90 -1.65 0.00 0.00 177.43 175.43 2qrg n ASP 251 N -3.15 2.67 -4.68 5.81 5.75 -1.26 -4.91 116.55 116.78 2qrg n ASP 251 Ca -0.01 -1.97 -0.48 0.00 -0.01 0.00 0.00 54.79 52.32 2qrg n ASP 251 Cb 0.25 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 2qrg n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2qrg n PHE 252 N 0.96 2.30 -1.50 2.11 7.35 -0.48 -0.57 117.46 127.63 2qrg n PHE 252 Ca 0.17 0.07 -0.17 0.00 -0.76 0.00 0.00 57.45 56.76 2qrg n PHE 252 Cb 0.43 -2.63 -0.07 0.00 0.35 0.00 0.00 39.48 37.55 2qrg n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2qrg n ASN 253 N 5.99 -4.83 -3.97 -2.13 3.02 -1.26 -4.76 115.26 107.33 2qrg n ASN 253 Ca 0.22 0.43 -0.30 0.00 -0.03 0.00 0.00 54.58 54.90 2qrg n ASN 253 Cb 0.28 -4.26 -0.16 0.00 -0.61 0.00 0.00 39.78 35.04 2qrg n ASN 253 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qrg s LEU 254 N -4.23 2.31 0.00 3.41 1.43 0.27 -4.82 118.68 117.05 2qrg s LEU 254 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2qrg s LEU 254 Cb 0.00 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2qrg s LEU 254 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2qrg n GLY 261 N 4.70 -2.47 0.15 -3.19 0.00 -1.26 -4.96 105.19 98.16 2qrg n GLY 261 Ca -0.14 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 2qrg n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qrg h TYR 262 N 0.00 -0.25 0.05 1.61 3.20 -2.00 -2.06 116.97 117.52 2qrg h TYR 262 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2qrg h TYR 262 Cb 0.00 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2qrg h TYR 262 CO 0.00 -0.15 -0.07 0.82 -1.64 0.00 0.00 178.16 177.11 2qrg h ILE 263 N -0.15 0.83 -0.87 1.81 1.08 -2.01 -2.33 117.51 115.87 2qrg h ILE 263 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 2qrg h ILE 263 Cb 0.23 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 2qrg h ILE 263 CO -0.14 0.00 0.57 -0.61 -0.69 0.00 0.00 178.15 177.29 2qrg h GLN 264 N -0.15 1.03 -0.86 2.37 5.75 -1.97 -1.07 115.11 120.21 2qrg h GLN 264 Ca 0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2qrg h GLN 264 Cb 0.16 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 2qrg h GLN 264 CO -0.04 0.68 0.49 0.00 -2.65 0.00 0.00 178.83 177.31 2qrg h ALA 265 N 1.50 1.10 -0.39 3.38 0.00 -0.92 0.13 119.26 124.05 2qrg h ALA 265 Ca 0.36 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2qrg h ALA 265 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2qrg h ALA 265 CO -0.11 0.58 -0.22 0.28 0.00 0.00 0.00 179.25 179.78 2qrg h VAL 266 N 1.19 1.28 -0.22 0.00 2.07 -0.91 -3.08 116.25 116.58 2qrg h VAL 266 Ca 0.30 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 2qrg h VAL 266 Cb -0.00 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2qrg h VAL 266 CO -0.05 0.46 -0.11 -0.07 0.02 0.00 0.00 177.57 177.81 2qrg h LEU 267 N 0.65 0.34 0.00 2.57 3.38 -0.76 -2.65 115.31 118.84 2qrg h LEU 267 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qrg h LEU 267 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2qrg h LEU 267 CO 0.06 0.49 0.00 0.47 0.09 0.00 0.00 178.44 179.55 2qrg n ASP 268 N -4.25 0.00 0.24 -0.43 8.00 0.40 -2.85 116.55 117.67 2qrg n ASP 268 Ca 0.00 -0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.56 2qrg n ASP 268 Cb 0.28 -0.25 0.82 0.00 -0.02 0.00 0.00 41.12 41.95 2qrg n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2qrg h ARG 269 N 0.00 0.00 -0.69 -1.24 3.08 -1.50 -2.13 114.38 111.90 2qrg h ARG 269 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 2qrg h ARG 269 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2qrg h ARG 269 CO 0.00 0.00 0.47 -0.91 -1.07 0.00 0.00 179.97 178.46 2qrg h ASN 270 N 0.00 0.29 -0.62 7.04 -0.26 -1.76 -2.43 115.58 117.84 2qrg h ASN 270 Ca 0.04 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2qrg h ASN 270 Cb 0.21 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.39 2qrg h ASN 270 CO -0.00 0.15 0.39 -0.07 -1.06 0.00 0.00 177.43 176.84 2qrg h LEU 271 N 0.31 0.65 -0.32 1.61 4.07 -1.65 0.22 115.31 120.20 2qrg h LEU 271 Ca 0.33 -0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.13 2qrg h LEU 271 Cb 0.87 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 2qrg h LEU 271 CO -0.09 0.46 -0.41 0.00 -1.08 0.00 0.00 178.44 177.32 2qrg h ALA 272 N 1.25 0.48 0.00 1.53 0.00 -1.62 -3.28 119.26 117.63 2qrg h ALA 272 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qrg h ALA 272 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qrg h ALA 272 CO -0.08 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.16 2qrg n GLU 273 N -4.11 0.22 0.31 0.00 1.02 -0.99 -3.04 120.64 114.05 2qrg n GLU 273 Ca -0.04 0.24 0.21 0.00 -0.02 0.00 0.00 57.16 57.55 2qrg n GLU 273 Cb 0.55 -1.79 1.10 0.00 -0.02 0.00 0.00 31.44 31.28 2qrg n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2qrg h ASN 274 N 0.00 0.00 -0.72 1.62 2.35 -1.02 -3.11 115.58 114.71 2qrg h ASN 274 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2qrg h ASN 274 Cb 0.64 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.92 2qrg h ASN 274 CO 0.00 0.00 0.29 0.40 -1.65 0.00 0.00 177.43 176.47 2qrg h ILE 275 N 0.00 0.71 -0.55 2.81 2.04 -1.76 -2.22 117.51 118.54 2qrg h ILE 275 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2qrg h ILE 275 Cb 0.06 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2qrg h ILE 275 CO 0.00 0.08 0.00 -1.54 0.00 0.00 0.00 178.15 176.69 2qrg n SER 276 N -4.98 5.55 -0.03 1.72 3.41 -1.17 -4.64 113.62 113.48 2qrg n SER 276 Ca 0.13 -2.92 -0.15 0.00 -0.26 0.00 0.00 58.87 55.66 2qrg n SER 276 Cb 0.36 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 2qrg n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2qrg h ARG 277 N 3.82 0.35 -3.14 4.33 9.65 -1.52 -1.97 114.38 125.89 2qrg h ARG 277 Ca 0.00 -0.30 -0.17 0.00 -1.10 0.00 0.00 59.98 58.41 2qrg h ARG 277 Cb 1.92 0.07 -0.26 0.00 -1.39 0.00 0.00 29.97 30.30 2qrg h ARG 277 CO 0.46 0.95 -0.45 0.54 2.80 0.00 0.00 179.97 184.27 2qrg s VAL 278 N -3.56 -0.01 0.06 0.20 0.11 -1.26 -0.78 120.40 115.16 2qrg s VAL 278 Ca -0.14 0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 2qrg s VAL 278 Cb 0.04 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.48 2qrg s VAL 278 CO 0.78 0.01 1.30 -0.22 -3.33 0.00 0.00 175.10 173.64 2qrg s LEU 279 N 0.28 4.35 0.04 2.54 2.96 -0.75 -4.99 118.68 123.11 2qrg s LEU 279 Ca -0.01 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 55.72 2qrg s LEU 279 Cb -0.03 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 2qrg s LEU 279 CO -0.01 -0.59 1.75 -0.31 -1.32 0.00 0.00 176.35 175.87 2qrg s TYR 280 N 1.44 2.02 -0.19 5.38 1.51 -1.26 -4.86 117.35 121.38 2qrg s TYR 280 Ca 0.61 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.75 2qrg s TYR 280 Cb -0.32 -4.04 0.26 0.00 -0.11 0.00 0.00 41.96 37.74 2qrg s TYR 280 CO 0.28 -4.38 1.47 -0.35 -1.11 0.00 0.00 175.55 171.46 2qrg n PRO 281 N 6.41 1.53 -3.58 -1.71 -0.04 -1.26 -4.91 135.00 131.44 2qrg n PRO 281 Ca 0.17 -1.23 -0.36 0.00 -0.04 0.00 0.00 63.50 62.04 2qrg n PRO 281 Cb 0.41 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 2qrg n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qrg s ASN 282 N 0.13 6.36 -0.24 3.54 0.01 -1.26 -4.42 114.94 119.06 2qrg s ASN 282 Ca 0.24 0.42 -0.07 0.00 -0.71 0.00 0.00 52.86 52.73 2qrg s ASN 282 Cb 0.20 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2qrg s ASN 282 CO 0.04 0.11 0.07 -0.62 -1.51 0.00 0.00 177.10 175.19 2qrg s ASP 283 N 0.51 5.22 -1.41 -1.22 2.15 -1.26 -4.59 116.67 116.06 2qrg s ASP 283 Ca 0.14 -0.17 -0.08 0.00 0.43 0.00 0.00 52.55 52.88 2qrg s ASP 283 Cb -0.13 -1.93 0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2qrg s ASP 283 CO 0.03 -0.01 0.92 0.59 -0.17 0.00 0.00 175.17 176.53 2qrg n ASN 284 N 4.76 -3.66 -3.73 -0.34 3.02 -1.26 -4.99 115.26 109.07 2qrg n ASN 284 Ca -0.16 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 2qrg n ASN 284 Cb 0.52 -4.19 -0.11 0.00 -0.61 0.00 0.00 39.78 35.38 2qrg n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qrg s PHE 285 N -3.43 -0.46 -0.28 3.10 5.36 -1.26 -4.20 117.98 116.81 2qrg s PHE 285 Ca 0.39 1.05 -0.14 0.00 -0.96 0.00 0.00 56.93 57.27 2qrg s PHE 285 Cb -0.19 0.17 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 2qrg s PHE 285 CO 0.80 -0.26 0.33 0.12 -1.46 0.00 0.00 175.22 174.76 2qrg s PHE 286 N 0.84 3.24 -0.32 10.12 2.19 0.29 -4.87 117.98 129.47 2qrg s PHE 286 Ca -0.05 0.32 -0.05 0.00 0.33 0.00 0.00 56.93 57.47 2qrg s PHE 286 Cb -0.06 -2.53 0.03 0.00 -1.31 0.00 0.00 43.02 39.15 2qrg s PHE 286 CO -0.06 -0.23 0.07 -2.00 1.83 0.00 0.00 175.22 174.83 2qrg s GLU 287 N 1.99 2.69 -1.40 10.12 2.12 -1.26 -4.95 118.70 128.01 2qrg s GLU 287 Ca 0.13 -1.12 -0.08 0.00 0.36 0.00 0.00 54.97 54.26 2qrg s GLU 287 Cb -0.16 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 30.94 2qrg s GLU 287 CO 0.10 -0.60 2.39 0.41 -0.54 0.00 0.00 175.26 177.03 2qrg n GLY 288 N 4.78 4.80 3.90 -1.50 0.00 -1.26 -4.91 105.19 110.99 2qrg n GLY 288 Ca -0.13 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 2qrg n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrg s LYS 289 N 0.46 3.36 0.23 1.61 -0.14 -1.26 -5.00 119.74 119.00 2qrg s LYS 289 Ca 0.54 -0.46 -0.07 0.00 -1.36 0.00 0.00 55.97 54.62 2qrg s LYS 289 Cb 0.16 -3.00 0.26 0.00 -1.68 0.00 0.00 37.83 33.57 2qrg s LYS 289 CO -0.06 0.61 1.87 1.49 -0.76 0.00 0.00 175.35 178.50 2qrg h GLU 290 N 3.24 1.01 -0.93 1.68 4.81 -2.00 -2.33 114.58 120.06 2qrg h GLU 290 Ca -0.46 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2qrg h GLU 290 Cb 1.16 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 2qrg h GLU 290 CO 0.73 0.66 0.60 1.25 -0.73 0.00 0.00 179.01 181.53 2qrg h LEU 291 N 1.04 1.00 -0.61 1.64 5.85 -1.98 -0.54 115.31 121.70 2qrg h LEU 291 Ca 0.34 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 2qrg h LEU 291 Cb 0.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2qrg h LEU 291 CO -0.12 0.68 0.22 -0.09 -0.34 0.00 0.00 178.44 178.79 2qrg h ARG 292 N 1.17 0.93 -0.83 1.25 9.65 -1.78 -1.50 114.38 123.25 2qrg h ARG 292 Ca 0.37 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2qrg h ARG 292 Cb 0.02 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 2qrg h ARG 292 CO -0.12 0.81 0.49 1.25 2.80 0.00 0.00 179.97 185.19 2qrg h LEU 293 N 0.86 1.00 -0.79 3.80 5.85 -0.93 -1.41 115.31 123.69 2qrg h LEU 293 Ca 0.20 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2qrg h LEU 293 Cb 0.24 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2qrg h LEU 293 CO -0.01 0.78 0.52 0.11 -0.34 0.00 0.00 178.44 179.50 2qrg h LYS 294 N 1.14 1.02 -0.50 1.25 1.57 -0.77 -1.33 116.57 118.95 2qrg h LYS 294 Ca 0.30 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2qrg h LYS 294 Cb -0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 2qrg h LYS 294 CO -0.05 0.67 0.33 1.96 -0.57 0.00 0.00 179.45 181.79 2qrg h GLN 295 N 1.05 0.67 -0.63 3.15 4.20 -0.82 0.30 115.11 123.02 2qrg h GLN 295 Ca 0.29 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 2qrg h GLN 295 Cb -0.10 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2qrg h GLN 295 CO -0.07 0.44 0.18 0.93 -0.67 0.00 0.00 178.83 179.64 2qrg h GLU 296 N 0.68 1.00 -0.23 1.46 5.08 -0.80 -2.28 114.58 119.49 2qrg h GLU 296 Ca 0.18 -0.22 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 2qrg h GLU 296 Cb -0.08 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.04 2qrg h GLU 296 CO -0.04 0.89 -0.65 -0.92 -1.00 0.00 0.00 179.01 177.29 2qrg h TYR 297 N 0.92 1.10 -0.32 4.33 3.20 -1.12 -3.00 116.97 122.07 2qrg h TYR 297 Ca 0.20 -0.43 0.07 0.00 3.14 0.00 0.00 58.73 61.71 2qrg h TYR 297 Cb 0.32 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.32 2qrg h TYR 297 CO 0.02 1.27 -0.21 0.35 -1.64 0.00 0.00 178.16 177.95 2qrg h PHE 298 N 0.62 -0.54 -0.65 -3.82 3.57 -0.74 0.22 116.94 115.59 2qrg h PHE 298 Ca -0.02 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2qrg h PHE 298 Cb 1.27 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 2qrg h PHE 298 CO 0.08 -0.29 0.06 -0.24 -2.23 0.00 0.00 178.31 175.69 2qrg h VAL 299 N -0.18 1.27 -0.20 1.41 3.04 -1.49 -2.68 116.25 117.42 2qrg h VAL 299 Ca 0.16 -1.10 -0.03 0.00 -1.01 0.00 0.00 66.70 64.72 2qrg h VAL 299 Cb 0.43 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 2qrg h VAL 299 CO -0.42 0.41 -0.00 0.58 -1.01 0.00 0.00 177.57 177.12 2qrg h VAL 300 N 1.02 1.26 -0.21 1.51 2.07 -1.25 -2.05 116.25 118.60 2qrg h VAL 300 Ca 0.19 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2qrg h VAL 300 Cb 0.50 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2qrg h VAL 300 CO 0.02 0.27 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 2qrg h ALA 301 N 0.78 0.29 -0.34 1.67 0.00 -0.60 -1.17 119.26 119.90 2qrg h ALA 301 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2qrg h ALA 301 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qrg h ALA 301 CO 0.01 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.45 2qrg h ALA 302 N 0.72 0.44 -0.07 0.00 0.00 -1.55 -2.84 119.26 115.96 2qrg h ALA 302 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qrg h ALA 302 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qrg h ALA 302 CO 0.02 0.08 0.04 1.15 0.00 0.00 0.00 179.25 180.55 2qrg h THR 303 N 0.39 1.05 -0.83 0.00 2.02 -1.34 -2.53 112.91 111.67 2qrg h THR 303 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qrg h THR 303 Cb 0.26 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 2qrg h THR 303 CO -0.00 0.04 0.52 -0.07 0.37 0.00 0.00 175.52 176.37 2qrg h LEU 304 N 0.06 0.97 -0.76 2.58 3.38 -1.21 0.15 115.31 120.48 2qrg h LEU 304 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qrg h LEU 304 Cb 0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2qrg h LEU 304 CO -0.00 0.73 0.43 1.56 0.09 0.00 0.00 178.44 181.24 2qrg h GLN 305 N 1.13 1.06 -0.44 1.13 4.20 -1.41 -0.98 115.11 119.79 2qrg h GLN 305 Ca 0.30 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2qrg h GLN 305 Cb -0.08 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 2qrg h GLN 305 CO -0.06 0.77 0.11 0.22 -0.67 0.00 0.00 178.83 179.21 2qrg h ASP 306 N 1.05 0.67 -0.17 1.46 -0.00 -0.91 -0.82 116.42 117.70 2qrg h ASP 306 Ca 0.27 -0.23 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 2qrg h ASP 306 Cb 0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.16 2qrg h ASP 306 CO -0.04 0.73 0.10 0.40 -0.00 0.00 0.00 179.24 180.42 2qrg h ILE 307 N 0.59 1.03 -0.54 2.25 2.04 -0.79 -1.80 117.51 120.29 2qrg h ILE 307 Ca 0.14 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 2qrg h ILE 307 Cb 0.31 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2qrg h ILE 307 CO 0.00 0.04 0.03 0.40 0.00 0.00 0.00 178.15 178.62 2qrg h ILE 308 N 0.21 1.26 -0.13 -0.67 2.04 -1.06 -0.90 117.51 118.25 2qrg h ILE 308 Ca 0.06 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2qrg h ILE 308 Cb -0.01 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2qrg h ILE 308 CO -0.02 0.38 -0.01 -0.09 0.00 0.00 0.00 178.15 178.40 2qrg h ARG 309 N 0.81 0.03 -0.31 2.37 2.43 -1.07 -0.56 114.38 118.08 2qrg h ARG 309 Ca 0.16 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2qrg h ARG 309 Cb 0.49 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2qrg h ARG 309 CO 0.02 0.02 0.03 -0.09 -1.51 0.00 0.00 179.97 178.45 2qrg h ARG 310 N 0.03 0.46 -0.41 0.20 2.43 -1.14 -1.40 114.38 114.56 2qrg h ARG 310 Ca 0.06 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 2qrg h ARG 310 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2qrg h ARG 310 CO -0.11 0.47 -0.20 0.35 -1.51 0.00 0.00 179.97 178.96 2qrg h PHE 311 N 0.45 0.99 0.00 2.20 3.57 -0.72 -3.18 116.94 120.25 2qrg h PHE 311 Ca 0.10 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 2qrg h PHE 311 Cb 0.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2qrg h PHE 311 CO 0.01 1.02 -0.51 0.87 -2.23 0.00 0.00 178.31 177.47 2qrg h LYS 312 N 0.67 0.00 -1.06 1.11 1.57 -0.71 -3.09 116.57 115.07 2qrg h LYS 312 Ca 0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.55 2qrg h LYS 312 Cb 0.76 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.89 2qrg h LYS 312 CO 0.06 0.51 0.41 0.43 -0.57 0.00 0.00 179.45 180.29 2qrg n SER 313 N -3.64 3.92 0.35 0.86 7.64 -0.56 -4.97 113.62 117.21 2qrg n SER 313 Ca -0.01 -2.99 -0.14 0.00 1.01 0.00 0.00 58.87 56.75 2qrg n SER 313 Cb 0.58 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 2qrg n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qrg h SER 314 N 0.73 -0.76 0.00 6.43 0.02 -1.58 -3.49 113.55 114.90 2qrg h SER 314 Ca 0.38 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2qrg h SER 314 Cb 1.94 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.67 2qrg h SER 314 CO 0.70 -0.52 0.00 0.41 -1.14 0.00 0.00 176.83 176.28 2qrg n THR 324 N -4.58 0.00 -3.13 -2.27 -1.04 -1.26 -4.97 114.28 97.03 2qrg n THR 324 Ca -0.11 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.45 2qrg n THR 324 Cb 0.36 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.84 2qrg n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qrg s ASN 325 N 0.00 6.56 0.00 8.00 3.04 -1.26 -4.88 114.94 126.40 2qrg s ASN 325 Ca 0.00 -2.13 0.30 0.00 0.04 0.00 0.00 52.86 51.07 2qrg s ASN 325 Cb 0.00 -2.30 1.60 0.00 -1.54 0.00 0.00 41.25 39.01 2qrg s ASN 325 CO 0.00 -0.89 2.06 0.49 -3.04 0.00 0.00 177.10 175.72 2qrg n PHE 326 N 5.52 0.00 0.02 0.43 3.72 -1.26 -3.20 117.46 122.69 2qrg n PHE 326 Ca 0.11 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.56 2qrg n PHE 326 Cb 0.47 -0.19 0.44 0.00 -0.94 0.00 0.00 39.48 39.26 2qrg n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qrg h ASP 327 N 0.00 0.44 0.08 4.37 5.19 -1.98 -2.22 116.42 122.30 2qrg h ASP 327 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2qrg h ASP 327 Cb 0.18 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2qrg h ASP 327 CO 0.00 0.32 -0.09 0.00 -3.12 0.00 0.00 179.24 176.34 2qrg n ALA 328 N -2.48 2.75 -0.04 3.45 0.00 -1.19 -4.40 120.51 118.60 2qrg n ALA 328 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 2qrg n ALA 328 Cb 0.06 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 2qrg n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qrg h PHE 329 N 1.91 -0.74 0.00 0.00 3.04 -1.57 -1.16 116.94 118.42 2qrg h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2qrg h PHE 329 Cb 0.50 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.37 2qrg h PHE 329 CO 0.00 -0.35 0.00 -1.35 -2.02 0.00 0.00 178.31 174.59 2qrg h PRO 330 N -0.29 0.00 0.00 6.41 0.11 -1.78 0.52 132.00 136.97 2qrg h PRO 330 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2qrg h PRO 330 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2qrg h PRO 330 CO -0.40 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 176.87 2qrg h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.50 -3.34 116.42 112.85 2qrg h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qrg h ASP 331 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2qrg h ASP 331 CO 0.00 0.09 -0.19 0.29 -1.72 0.00 0.00 179.24 177.70 2qrg n LYS 332 N -3.14 5.36 -4.02 3.56 4.76 -0.51 -4.54 118.16 119.63 2qrg n LYS 332 Ca 0.03 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 2qrg n LYS 332 Cb 0.51 -0.72 -0.16 0.00 -1.84 0.00 0.00 35.03 32.82 2qrg n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qrg s VAL 333 N -1.36 0.31 -0.08 -0.18 1.01 0.06 -0.97 120.40 119.19 2qrg s VAL 333 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2qrg s VAL 333 Cb 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2qrg s VAL 333 CO 0.17 0.17 -0.18 0.00 0.00 0.00 0.00 175.10 175.26 2qrg s ALA 334 N 0.92 1.73 -0.23 5.51 0.00 -0.34 -4.49 121.76 124.85 2qrg s ALA 334 Ca -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2qrg s ALA 334 Cb -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2qrg s ALA 334 CO -0.01 0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.32 2qrg s ILE 335 N 0.44 2.96 -0.25 0.00 1.01 -0.30 -0.10 121.20 124.96 2qrg s ILE 335 Ca -0.15 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 2qrg s ILE 335 Cb -0.16 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2qrg s ILE 335 CO 0.06 0.31 0.15 -1.58 0.00 0.00 0.00 174.94 173.88 2qrg s GLN 336 N 1.38 3.96 -0.35 2.79 2.00 0.22 -1.39 119.66 128.26 2qrg s GLN 336 Ca 0.03 -0.32 -0.18 0.00 -2.00 0.00 0.00 55.36 52.88 2qrg s GLN 336 Cb -0.15 -3.53 -0.00 0.00 0.80 0.00 0.00 33.01 30.12 2qrg s GLN 336 CO -0.05 -0.05 0.52 -0.51 -0.50 0.00 0.00 175.29 174.69 2qrg s LEU 337 N 1.36 4.36 -0.94 3.68 1.43 -0.01 -1.58 118.68 126.98 2qrg s LEU 337 Ca 0.07 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 2qrg s LEU 337 Cb -0.15 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.53 2qrg s LEU 337 CO 0.07 -0.49 1.39 0.21 0.23 0.00 0.00 176.35 177.75 2qrg s ASN 338 N 1.77 6.41 0.84 2.29 2.47 -0.82 -2.08 114.94 125.82 2qrg s ASN 338 Ca 0.19 -1.20 0.00 0.00 0.42 0.00 0.00 52.86 52.27 2qrg s ASN 338 Cb -0.15 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2qrg s ASN 338 CO 0.13 -1.58 0.00 -0.67 -3.72 0.00 0.00 177.10 171.26 2qrg n ASP 339 N 8.94 -3.45 -0.29 -4.21 2.03 -0.48 -4.09 116.55 115.00 2qrg n ASP 339 Ca 0.24 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.69 2qrg n ASP 339 Cb 0.50 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.48 2qrg n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2qrg n THR 340 N -0.62 0.00 -0.33 5.18 -2.24 -1.26 -4.32 114.28 110.69 2qrg n THR 340 Ca 0.00 -0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 2qrg n THR 340 Cb 0.00 0.21 0.17 0.00 -2.10 0.00 0.00 70.33 68.61 2qrg n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2qrg h HIS 341 N 1.43 1.06 -0.75 4.78 3.86 -1.96 0.78 115.15 124.34 2qrg h HIS 341 Ca 0.00 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.91 2qrg h HIS 341 Cb 0.40 -0.34 -0.20 0.00 1.06 0.00 0.00 27.41 28.33 2qrg h HIS 341 CO 0.00 0.51 0.42 -0.35 0.86 0.00 0.00 177.93 179.36 2qrg n PRO 342 N -4.60 2.60 0.29 2.45 -0.04 -1.26 -4.66 135.00 129.78 2qrg n PRO 342 Ca 0.15 -2.55 0.17 0.00 -0.04 0.00 0.00 63.50 61.22 2qrg n PRO 342 Cb 0.22 -2.03 0.95 0.00 -0.04 0.00 0.00 33.50 32.61 2qrg n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qrg h SER 343 N 1.46 0.00 0.19 3.54 4.64 -1.09 -1.82 113.55 120.47 2qrg h SER 343 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2qrg h SER 343 Cb 2.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.46 2qrg h SER 343 CO 0.80 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.94 2qrg n LEU 344 N -3.69 0.20 -0.18 5.97 4.77 -1.26 -1.99 117.00 120.81 2qrg n LEU 344 Ca -0.02 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 2qrg n LEU 344 Cb 0.13 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 41.07 2qrg n LEU 344 CO 0.26 -0.55 1.21 0.00 -1.33 0.00 0.00 177.39 176.98 2qrg h ALA 345 N 2.14 1.92 0.70 -1.18 0.00 -1.69 -0.24 119.26 120.91 2qrg h ALA 345 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qrg h ALA 345 Cb 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qrg h ALA 345 CO 0.00 -0.11 -0.33 0.82 0.00 0.00 0.00 179.25 179.63 2qrg h ILE 346 N 0.57 0.00 0.00 0.00 2.04 -1.65 -0.21 117.51 118.26 2qrg h ILE 346 Ca 0.36 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2qrg h ILE 346 Cb 0.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2qrg h ILE 346 CO -0.13 0.00 -0.26 1.55 0.00 0.00 0.00 178.15 179.31 2qrg h PRO 347 N -1.14 0.00 -0.43 2.37 0.13 -1.74 -2.37 132.00 128.82 2qrg h PRO 347 Ca -0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 2qrg h PRO 347 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2qrg h PRO 347 CO 0.16 0.26 0.03 1.49 -0.23 0.00 0.00 178.00 179.71 2qrg h GLU 348 N 0.00 0.73 -0.58 0.86 4.57 -1.02 0.88 114.58 120.01 2qrg h GLU 348 Ca -0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2qrg h GLU 348 Cb 0.53 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 2qrg h GLU 348 CO 0.03 0.79 0.32 1.25 -1.18 0.00 0.00 179.01 180.22 2qrg h LEU 349 N 0.58 0.73 -0.55 1.64 5.85 -0.89 -1.18 115.31 121.48 2qrg h LEU 349 Ca 0.12 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2qrg h LEU 349 Cb 0.44 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2qrg h LEU 349 CO 0.02 0.61 0.35 0.24 -0.34 0.00 0.00 178.44 179.32 2qrg h MET 350 N 0.79 0.69 -0.19 1.25 2.86 -1.29 -1.23 114.93 117.81 2qrg h MET 350 Ca 0.20 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2qrg h MET 350 Cb 0.05 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2qrg h MET 350 CO -0.03 0.46 -0.07 -0.09 1.06 0.00 0.00 176.91 178.24 2qrg h ARG 351 N 0.71 -0.03 -0.27 1.72 2.43 -0.38 0.30 114.38 118.86 2qrg h ARG 351 Ca 0.21 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2qrg h ARG 351 Cb -0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2qrg h ARG 351 CO -0.06 -0.02 0.10 0.28 -1.51 0.00 0.00 179.97 178.75 2qrg h VAL 352 N -0.03 1.19 -0.47 0.20 2.07 -1.04 0.12 116.25 118.29 2qrg h VAL 352 Ca 0.10 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 2qrg h VAL 352 Cb 0.19 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2qrg h VAL 352 CO -0.22 0.20 -0.13 -0.07 0.02 0.00 0.00 177.57 177.37 2qrg h LEU 353 N 0.28 0.88 0.00 2.57 3.38 -1.04 -0.28 115.31 121.10 2qrg h LEU 353 Ca 0.09 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2qrg h LEU 353 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qrg h LEU 353 CO -0.00 1.02 -0.50 0.58 0.09 0.00 0.00 178.44 179.62 2qrg h VAL 354 N 0.79 0.84 0.05 1.22 2.07 -0.91 0.42 116.25 120.72 2qrg h VAL 354 Ca 0.12 -1.79 -0.25 0.00 0.82 0.00 0.00 66.70 65.61 2qrg h VAL 354 Cb 0.65 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2qrg h VAL 354 CO 0.05 0.29 -1.05 0.44 0.02 0.00 0.00 177.57 177.31 2qrg h ASP 355 N -1.00 0.53 0.00 0.57 3.45 -0.87 -3.09 116.42 116.01 2qrg h ASP 355 Ca -0.11 -0.47 -0.35 0.00 0.43 0.00 0.00 57.03 56.53 2qrg h ASP 355 Cb 0.82 -0.17 -0.06 0.00 -0.56 0.00 0.00 39.33 39.36 2qrg h ASP 355 CO -0.07 1.30 -2.26 0.18 -1.57 0.00 0.00 179.24 176.82 2qrg n LEU 356 N -3.69 2.59 0.01 1.55 4.77 -0.79 -4.55 117.00 116.88 2qrg n LEU 356 Ca -0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2qrg n LEU 356 Cb 0.90 -0.74 0.21 0.00 -2.33 0.00 0.00 43.42 41.46 2qrg n LEU 356 CO 0.53 0.76 0.39 -0.62 -1.33 0.00 0.00 177.39 177.11 2qrg n GLU 357 N -3.40 0.07 -2.44 3.23 -0.58 -0.18 -4.98 120.64 112.36 2qrg n GLU 357 Ca -0.41 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.22 2qrg n GLU 357 Cb 0.89 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 30.22 2qrg n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qrg n ARG 358 N -1.64 -1.82 -2.76 3.49 5.12 -0.88 -4.97 116.66 113.20 2qrg n ARG 358 Ca 0.05 0.59 -0.33 0.00 -1.93 0.00 0.00 57.85 56.23 2qrg n ARG 358 Cb 0.36 -4.76 -0.06 0.00 -1.16 0.00 0.00 32.46 26.83 2qrg n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qrg s LEU 359 N -3.90 3.94 0.58 0.55 1.02 0.08 -4.99 118.68 115.96 2qrg s LEU 359 Ca 0.08 1.74 -0.18 0.00 0.02 0.00 0.00 54.13 55.79 2qrg s LEU 359 Cb -0.03 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.61 2qrg s LEU 359 CO 0.09 -0.43 1.13 1.51 0.02 0.00 0.00 176.35 178.67 2qrg s ASP 360 N -2.12 5.50 0.16 2.29 -4.77 -1.26 -4.41 116.67 112.06 2qrg s ASP 360 Ca 0.63 2.14 -0.20 0.00 -3.30 0.00 0.00 52.55 51.82 2qrg s ASP 360 Cb -0.11 -2.57 0.08 0.00 -1.09 0.00 0.00 42.92 39.23 2qrg s ASP 360 CO 0.15 -1.37 1.63 -0.25 0.70 0.00 0.00 175.17 176.03 2qrg h TRP 361 N 0.84 -0.58 -0.83 2.11 2.91 -1.97 -1.53 115.95 116.90 2qrg h TRP 361 Ca -0.49 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.62 2qrg h TRP 361 Cb 1.26 0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 30.17 2qrg h TRP 361 CO 0.52 -0.30 0.52 -0.44 -1.03 0.00 0.00 178.44 177.71 2qrg h ASP 362 N -0.17 0.84 -0.22 2.65 3.45 -1.99 0.29 116.42 121.26 2qrg h ASP 362 Ca 0.18 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.58 2qrg h ASP 362 Cb 0.45 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 2qrg h ASP 362 CO -0.46 0.56 -0.10 0.50 -1.57 0.00 0.00 179.24 178.17 2qrg h LYS 363 N 0.98 0.45 -0.78 3.56 1.63 -1.86 -2.13 116.57 118.42 2qrg h LYS 363 Ca 0.35 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2qrg h LYS 363 Cb 0.09 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 2qrg h LYS 363 CO -0.14 0.73 0.48 0.00 -3.45 0.00 0.00 179.45 177.07 2qrg h ALA 364 N 0.71 1.05 -0.50 5.00 0.00 -0.81 -1.83 119.26 122.88 2qrg h ALA 364 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2qrg h ALA 364 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2qrg h ALA 364 CO 0.03 0.24 0.09 2.35 0.00 0.00 0.00 179.25 181.95 2qrg h TRP 365 N 0.90 0.87 -0.43 0.00 2.91 -0.91 -0.69 115.95 118.60 2qrg h TRP 365 Ca 0.33 -0.12 0.05 0.00 1.13 0.00 0.00 58.89 60.28 2qrg h TRP 365 Cb 0.11 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.48 2qrg h TRP 365 CO -0.04 0.79 0.17 1.49 -1.03 0.00 0.00 178.44 179.82 2qrg h GLU 366 N 0.70 0.34 -0.40 2.65 4.81 -1.05 -0.91 114.58 120.72 2qrg h GLU 366 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2qrg h GLU 366 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2qrg h GLU 366 CO 0.01 0.23 0.17 0.28 -0.73 0.00 0.00 179.01 178.96 2qrg h VAL 367 N 0.35 1.19 -0.06 0.32 2.07 -1.13 -2.54 116.25 116.45 2qrg h VAL 367 Ca 0.20 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2qrg h VAL 367 Cb 0.17 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2qrg h VAL 367 CO -0.18 0.21 0.04 0.74 0.02 0.00 0.00 177.57 178.40 2qrg h THR 368 N 0.51 1.05 -0.46 2.57 2.02 -0.80 -1.85 112.91 115.95 2qrg h THR 368 Ca 0.14 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qrg h THR 368 Cb 0.17 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2qrg h THR 368 CO -0.01 0.04 0.28 0.58 0.37 0.00 0.00 175.52 176.78 2qrg h VAL 369 N 0.04 1.14 0.00 3.16 2.07 -1.16 -1.35 116.25 120.16 2qrg h VAL 369 Ca 0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2qrg h VAL 369 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2qrg h VAL 369 CO -0.00 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.83 2qrg h LYS 370 N 0.61 0.00 0.14 1.57 1.57 -1.33 -2.09 116.57 117.04 2qrg h LYS 370 Ca 0.16 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.59 2qrg h LYS 370 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2qrg h LYS 370 CO -0.03 0.00 -1.91 1.15 -0.57 0.00 0.00 179.45 178.09 2qrg h THR 371 N 0.00 0.73 -3.04 -0.16 2.02 -0.81 -3.47 112.91 108.18 2qrg h THR 371 Ca 0.00 -2.41 -0.60 0.00 0.77 0.00 0.00 66.41 64.17 2qrg h THR 371 Cb 0.47 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.41 2qrg h THR 371 CO 0.00 0.88 -0.24 0.00 0.37 0.00 0.00 175.52 176.52 2qrg s ALA 373 N -1.25 0.29 -0.09 0.00 0.00 -0.49 -1.87 121.76 118.36 2qrg s ALA 373 Ca 0.28 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2qrg s ALA 373 Cb -0.15 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2qrg s ALA 373 CO 0.15 -0.12 -0.16 -0.47 0.00 0.00 0.00 175.76 175.16 2qrg s TYR 374 N -1.54 1.90 -0.22 0.00 6.04 -0.36 -0.83 117.35 122.35 2qrg s TYR 374 Ca -0.13 -0.80 -0.06 0.00 0.04 0.00 0.00 57.07 56.12 2qrg s TYR 374 Cb -0.09 -1.35 -0.02 0.00 -1.04 0.00 0.00 41.96 39.46 2qrg s TYR 374 CO -0.01 -0.38 0.02 0.99 -1.54 0.00 0.00 175.55 174.62 2qrg s THR 375 N 0.71 3.99 -0.04 4.34 2.01 -0.88 -1.70 115.64 124.06 2qrg s THR 375 Ca -0.13 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2qrg s THR 375 Cb -0.16 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2qrg s THR 375 CO 0.03 0.40 0.45 0.21 -0.69 0.00 0.00 174.62 175.02 2qrg s ASN 376 N 1.27 6.77 0.00 3.53 3.84 -0.45 -1.38 114.94 128.54 2qrg s ASN 376 Ca 0.04 0.92 0.04 0.00 0.21 0.00 0.00 52.86 54.06 2qrg s ASN 376 Cb -0.15 -2.27 0.03 0.00 -0.55 0.00 0.00 41.25 38.31 2qrg s ASN 376 CO 0.01 0.18 0.60 1.41 -2.79 0.00 0.00 177.10 176.52 2qrg n HIS 377 N 2.61 0.00 -3.54 0.43 8.25 -1.26 -4.14 115.22 117.56 2qrg n HIS 377 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.20 2qrg n HIS 377 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 2qrg n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qrg s THR 378 N -0.32 0.00 -0.84 1.59 -1.32 -1.26 -4.59 115.64 108.90 2qrg s THR 378 Ca 0.04 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.60 2qrg s THR 378 Cb 0.03 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2qrg s THR 378 CO 0.05 0.00 0.64 1.33 -2.21 0.00 0.00 174.62 174.43 2qrg n VAL 379 N 0.88 0.00 -1.90 5.08 0.24 -1.26 -4.98 118.33 116.39 2qrg n VAL 379 Ca -0.16 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 2qrg n VAL 379 Cb 0.57 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 2qrg n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qrg s LEU 380 N -1.07 4.36 0.30 1.34 1.43 -1.26 -4.89 118.68 118.89 2qrg s LEU 380 Ca 0.08 2.43 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 2qrg s LEU 380 Cb 0.06 -3.55 0.62 0.00 0.03 0.00 0.00 46.19 43.36 2qrg s LEU 380 CO 0.15 -0.94 1.85 1.55 0.23 0.00 0.00 176.35 179.19 2qrg h PRO 381 N 9.24 0.89 0.00 1.29 0.13 -1.97 -1.40 132.00 140.18 2qrg h PRO 381 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qrg h PRO 381 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2qrg h PRO 381 CO 0.94 0.59 0.00 -0.85 -0.23 0.00 0.00 178.00 178.45 2qrg n GLU 382 N -4.60 0.09 0.01 0.86 0.00 -1.26 -2.67 120.64 113.07 2qrg n GLU 382 Ca 0.18 0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.59 2qrg n GLU 382 Cb 0.37 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.29 2qrg n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qrg n ALA 383 N -1.43 3.90 -2.37 -1.84 0.00 -0.53 -0.55 120.51 117.69 2qrg n ALA 383 Ca 0.06 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 2qrg n ALA 383 Cb 0.20 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2qrg n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qrg s LEU 384 N -3.48 4.47 -0.27 0.00 1.43 -1.09 -4.31 118.68 115.42 2qrg s LEU 384 Ca 0.05 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.60 2qrg s LEU 384 Cb 0.15 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.83 2qrg s LEU 384 CO 0.82 -0.10 1.06 -1.61 0.23 0.00 0.00 176.35 176.75 2qrg s GLU 385 N 0.21 4.16 -0.33 1.70 2.02 -1.26 -4.82 118.70 120.38 2qrg s GLU 385 Ca 0.47 1.22 -0.00 0.00 0.02 0.00 0.00 54.97 56.68 2qrg s GLU 385 Cb -0.23 -3.69 0.11 0.00 0.10 0.00 0.00 34.13 30.42 2qrg s GLU 385 CO 0.29 -0.77 0.13 1.03 0.02 0.00 0.00 175.26 175.96 2qrg s ARG 386 N 3.43 0.78 -0.10 1.61 0.52 -1.26 -2.13 118.95 121.80 2qrg s ARG 386 Ca 0.45 -1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 2qrg s ARG 386 Cb -0.14 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2qrg s ARG 386 CO 0.11 -1.03 0.71 -1.58 0.02 0.00 0.00 175.30 173.53 2qrg s TRP 387 N 1.41 3.53 0.22 -0.53 0.52 -0.70 -4.76 118.94 118.63 2qrg s TRP 387 Ca 0.11 1.21 -0.32 0.00 0.02 0.00 0.00 56.10 57.13 2qrg s TRP 387 Cb -0.19 -2.83 -0.13 0.00 -1.15 0.00 0.00 33.47 29.17 2qrg s TRP 387 CO -0.20 0.01 1.47 -2.30 0.02 0.00 0.00 176.95 175.95 2qrg n PRO 388 N 4.12 2.11 -0.35 4.98 -0.02 -1.26 -0.35 135.00 144.23 2qrg n PRO 388 Ca -0.01 0.75 0.01 0.00 -2.02 0.00 0.00 63.50 62.24 2qrg n PRO 388 Cb 0.51 -2.45 0.17 0.00 -0.02 0.00 0.00 33.50 31.71 2qrg n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qrg h VAL 389 N 3.22 1.16 -0.14 -1.45 2.07 -1.40 -2.52 116.25 117.18 2qrg h VAL 389 Ca -0.45 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2qrg h VAL 389 Cb 1.27 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2qrg h VAL 389 CO 0.79 0.22 0.06 1.12 0.02 0.00 0.00 177.57 179.78 2qrg h HIS 390 N 1.20 0.19 -0.22 1.57 2.07 -1.90 0.14 115.15 118.19 2qrg h HIS 390 Ca 0.39 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.85 2qrg h HIS 390 Cb 0.03 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 29.94 2qrg h HIS 390 CO -0.00 0.15 -0.11 -0.07 -3.07 0.00 0.00 177.93 174.84 2qrg h LEU 391 N 0.20 0.48 -0.74 6.12 3.38 -1.83 -2.92 115.31 119.99 2qrg h LEU 391 Ca 0.05 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 2qrg h LEU 391 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qrg h LEU 391 CO -0.01 0.78 -0.39 -0.07 0.09 0.00 0.00 178.44 178.84 2qrg h LEU 392 N 0.17 0.52 -0.56 1.67 3.38 -1.33 -1.36 115.31 117.80 2qrg h LEU 392 Ca 0.05 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qrg h LEU 392 Cb 0.60 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2qrg h LEU 392 CO 0.03 0.86 0.29 -0.08 0.09 0.00 0.00 178.44 179.63 2qrg h GLU 393 N 0.41 0.53 0.06 1.13 4.81 -0.78 0.96 114.58 121.70 2qrg h GLU 393 Ca 0.04 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2qrg h GLU 393 Cb 0.87 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.14 2qrg h GLU 393 CO 0.07 0.35 -0.44 1.15 -0.73 0.00 0.00 179.01 179.42 2qrg h THR 394 N 0.55 1.60 0.25 0.32 2.02 -1.42 -3.30 112.91 112.93 2qrg h THR 394 Ca 0.25 -2.31 -0.34 0.00 0.77 0.00 0.00 66.41 64.77 2qrg h THR 394 Cb 0.15 3.11 0.04 0.00 -1.74 0.00 0.00 68.15 69.71 2qrg h THR 394 CO -0.17 0.64 -1.51 0.25 0.37 0.00 0.00 175.52 175.10 2qrg h LEU 395 N -0.56 0.84 -5.99 2.58 5.85 -1.24 -3.38 115.31 113.41 2qrg h LEU 395 Ca -0.07 -0.92 -0.54 0.00 0.84 0.00 0.00 57.88 57.19 2qrg h LEU 395 Cb 1.29 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 41.65 2qrg h LEU 395 CO 0.08 1.72 -1.09 0.18 -0.34 0.00 0.00 178.44 179.00 2qrg n LEU 396 N -3.71 0.69 -0.14 2.25 4.77 0.32 -0.51 117.00 120.67 2qrg n LEU 396 Ca -0.18 -4.85 0.01 0.00 -0.03 0.00 0.00 56.01 50.97 2qrg n LEU 396 Cb 1.11 0.55 0.30 0.00 -2.33 0.00 0.00 43.42 43.05 2qrg n LEU 396 CO 0.60 2.14 1.19 1.55 -1.33 0.00 0.00 177.39 181.54 2qrg h PRO 397 N 3.71 0.82 -0.33 3.23 0.13 -1.61 -2.23 132.00 135.72 2qrg h PRO 397 Ca 0.09 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 2qrg h PRO 397 Cb 0.88 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2qrg h PRO 397 CO 0.50 0.56 -0.43 -0.09 -0.23 0.00 0.00 178.00 178.31 2qrg h ARG 398 N 0.84 0.83 -0.74 0.86 9.65 -1.91 -2.93 114.38 120.98 2qrg h ARG 398 Ca 0.22 -0.46 -0.06 0.00 -1.10 0.00 0.00 59.98 58.59 2qrg h ARG 398 Cb -0.07 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 2qrg h ARG 398 CO -0.05 1.09 0.23 0.45 2.80 0.00 0.00 179.97 184.50 2qrg h HIS 399 N 0.67 1.18 -0.39 2.20 3.86 -1.78 -1.77 115.15 119.11 2qrg h HIS 399 Ca 0.05 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2qrg h HIS 399 Cb 1.01 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 2qrg h HIS 399 CO 0.06 0.93 0.23 1.25 0.86 0.00 0.00 177.93 181.25 2qrg h LEU 400 N 1.09 0.36 -0.58 2.43 6.46 -1.40 0.36 115.31 124.03 2qrg h LEU 400 Ca 0.24 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 2qrg h LEU 400 Cb 0.30 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 2qrg h LEU 400 CO -0.01 0.26 0.33 1.56 -0.62 0.00 0.00 178.44 179.96 2qrg h GLN 401 N 0.46 0.61 -0.67 1.25 4.20 -1.30 -0.46 115.11 119.20 2qrg h GLN 401 Ca 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 2qrg h GLN 401 Cb 0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2qrg h GLN 401 CO -0.08 0.40 0.16 0.82 -0.67 0.00 0.00 178.83 179.46 2qrg h ILE 402 N 0.63 1.26 -0.68 2.54 2.04 -0.95 -2.01 117.51 120.34 2qrg h ILE 402 Ca 0.25 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2qrg h ILE 402 Cb 0.11 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qrg h ILE 402 CO -0.14 0.37 0.37 0.40 0.00 0.00 0.00 178.15 179.14 2qrg h ILE 403 N 1.00 1.22 -0.69 -0.67 2.04 -0.43 -0.07 117.51 119.91 2qrg h ILE 403 Ca 0.21 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2qrg h ILE 403 Cb 0.38 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2qrg h ILE 403 CO 0.00 0.24 0.45 1.88 0.00 0.00 0.00 178.15 180.72 2qrg h TYR 404 N 0.94 0.85 -0.54 1.37 0.05 -0.86 -0.58 116.97 118.19 2qrg h TYR 404 Ca 0.24 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 2qrg h TYR 404 Cb 0.05 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2qrg h TYR 404 CO -0.00 0.51 -0.01 1.49 -1.05 0.00 0.00 178.16 179.10 2qrg h GLU 405 N 0.90 0.96 -0.32 4.88 4.57 -0.94 -1.31 114.58 123.32 2qrg h GLU 405 Ca 0.26 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2qrg h GLU 405 Cb -0.06 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2qrg h GLU 405 CO -0.08 0.97 0.17 0.82 -1.18 0.00 0.00 179.01 179.71 2qrg h ILE 406 N 0.83 1.01 -0.42 2.32 2.04 -0.78 -2.34 117.51 120.17 2qrg h ILE 406 Ca 0.15 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2qrg h ILE 406 Cb 0.54 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2qrg h ILE 406 CO 0.03 0.06 0.25 -1.13 0.00 0.00 0.00 178.15 177.37 2qrg h ASN 407 N 0.35 0.42 -0.07 1.72 -1.24 -0.83 -0.30 115.58 115.63 2qrg h ASN 407 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2qrg h ASN 407 Cb 0.03 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 2qrg h ASN 407 CO -0.08 0.30 0.04 -0.61 -1.29 0.00 0.00 177.43 175.79 2qrg h GLN 408 N 0.51 0.10 -0.47 6.67 4.15 -1.14 0.18 115.11 125.11 2qrg h GLN 408 Ca 0.17 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 2qrg h GLN 408 Cb -0.00 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2qrg h GLN 408 CO -0.07 0.09 -0.04 0.00 -1.93 0.00 0.00 178.83 176.87 2qrg h ARG 409 N 0.07 0.81 -0.15 1.69 3.08 -1.29 -1.43 114.38 117.16 2qrg h ARG 409 Ca 0.03 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2qrg h ARG 409 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2qrg h ARG 409 CO -0.01 0.84 0.03 0.35 -1.07 0.00 0.00 179.97 180.11 2qrg h PHE 410 N 0.74 0.26 0.00 3.04 3.57 -0.87 -2.81 116.94 120.88 2qrg h PHE 410 Ca 0.14 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2qrg h PHE 410 Cb 0.51 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2qrg h PHE 410 CO 0.03 0.42 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.15 2qrg h LEU 411 N 0.03 0.00 -1.22 0.59 3.38 -0.83 -1.34 115.31 115.92 2qrg h LEU 411 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2qrg h LEU 411 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2qrg h LEU 411 CO 0.00 0.31 0.23 0.78 0.09 0.00 0.00 178.44 179.85 2qrg h ASN 412 N 0.00 0.70 -0.36 -0.43 -0.26 -1.21 -0.31 115.58 113.71 2qrg h ASN 412 Ca -0.00 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.58 2qrg h ASN 412 Cb 0.55 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2qrg h ASN 412 CO 0.04 0.62 -0.06 0.03 -1.06 0.00 0.00 177.43 177.00 2qrg h ARG 413 N 0.77 0.68 -0.40 0.81 3.08 -1.01 -2.43 114.38 115.89 2qrg h ARG 413 Ca 0.19 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2qrg h ARG 413 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2qrg h ARG 413 CO -0.02 0.83 0.17 0.28 -1.07 0.00 0.00 179.97 180.15 2qrg h VAL 414 N 0.48 1.19 -0.56 2.04 2.07 -1.09 -1.98 116.25 118.40 2qrg h VAL 414 Ca 0.10 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2qrg h VAL 414 Cb 0.56 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2qrg h VAL 414 CO 0.03 0.21 0.27 0.00 0.02 0.00 0.00 177.57 178.10 2qrg h ALA 415 N 1.02 1.41 -0.15 1.67 0.00 -1.06 0.69 119.26 122.83 2qrg h ALA 415 Ca 0.13 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2qrg h ALA 415 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qrg h ALA 415 CO -0.01 0.46 -0.54 0.00 0.00 0.00 0.00 179.25 179.16 2qrg h ALA 416 N 1.50 0.78 0.09 0.00 0.00 -1.22 -2.93 119.26 117.49 2qrg h ALA 416 Ca 0.20 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 2qrg h ALA 416 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qrg h ALA 416 CO -0.03 0.69 -1.15 0.00 0.00 0.00 0.00 179.25 178.76 2qrg h ALA 417 N 1.07 0.19 -2.16 0.00 0.00 -0.72 -3.39 119.26 114.26 2qrg h ALA 417 Ca 0.01 -0.85 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 2qrg h ALA 417 Cb 1.06 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.43 2qrg h ALA 417 CO 0.10 0.96 -0.85 1.19 0.00 0.00 0.00 179.25 180.65 2qrg n PHE 418 N -3.56 1.56 -1.79 0.00 3.72 0.18 -5.10 117.46 112.46 2qrg n PHE 418 Ca -0.07 -3.85 -0.42 0.00 -0.05 0.00 0.00 57.45 53.06 2qrg n PHE 418 Cb 0.97 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 2qrg n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2qrg s PRO 419 N -1.70 4.14 0.00 -1.08 0.02 -1.11 -2.26 135.00 133.02 2qrg s PRO 419 Ca 0.37 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2qrg s PRO 419 Cb 0.14 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2qrg s PRO 419 CO -0.07 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2qrg n GLY 420 N 3.15 1.94 3.51 0.52 0.00 -1.26 -4.96 105.19 108.09 2qrg n GLY 420 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2qrg n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qrg n ASP 421 N 0.00 4.97 0.07 1.61 4.64 -0.96 -4.79 116.55 122.09 2qrg n ASP 421 Ca 0.00 -2.93 -0.02 0.00 -1.38 0.00 0.00 54.79 50.46 2qrg n ASP 421 Cb 0.00 -1.70 0.24 0.00 -1.04 0.00 0.00 41.12 38.63 2qrg n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2qrg h VAL 422 N 5.25 1.27 -0.15 5.18 -1.51 -1.93 -2.92 116.25 121.45 2qrg h VAL 422 Ca 0.42 -1.31 -0.14 0.00 -1.23 0.00 0.00 66.70 64.45 2qrg h VAL 422 Cb 0.86 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 2qrg h VAL 422 CO 1.43 0.40 -0.49 -0.78 -1.23 0.00 0.00 177.57 176.89 2qrg h ASP 423 N 0.28 0.44 -0.70 4.19 3.58 -2.00 -2.88 116.42 119.33 2qrg h ASP 423 Ca 0.04 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 2qrg h ASP 423 Cb 0.69 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2qrg h ASP 423 CO 0.05 0.86 0.42 -0.09 -2.88 0.00 0.00 179.24 177.60 2qrg h ARG 424 N 0.32 0.95 -0.59 0.28 2.43 -1.92 -0.80 114.38 115.04 2qrg h ARG 424 Ca 0.02 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2qrg h ARG 424 Cb 0.98 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 2qrg h ARG 424 CO 0.08 0.67 0.25 -0.07 -1.51 0.00 0.00 179.97 179.40 2qrg h LEU 425 N 0.95 0.30 -0.66 3.80 3.38 -1.40 0.78 115.31 122.47 2qrg h LEU 425 Ca 0.25 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 2qrg h LEU 425 Cb -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qrg h LEU 425 CO -0.05 0.19 -0.62 0.08 0.09 0.00 0.00 178.44 178.14 2qrg h ARG 426 N 0.47 0.19 -0.27 1.13 -0.00 -1.28 -2.38 114.38 112.24 2qrg h ARG 426 Ca 0.28 -0.13 -0.14 0.00 -0.00 0.00 0.00 59.98 59.99 2qrg h ARG 426 Cb 0.29 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.27 2qrg h ARG 426 CO -0.25 0.75 -0.39 0.00 -0.00 0.00 0.00 179.97 180.07 2qrg h ARG 427 N 0.14 0.64 0.00 0.08 3.08 -0.54 -3.28 114.38 114.50 2qrg h ARG 427 Ca -0.01 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2qrg h ARG 427 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2qrg h ARG 427 CO 0.09 0.93 -0.68 -1.33 -1.07 0.00 0.00 179.97 177.90 2qrg n MET 428 N -4.04 0.15 -1.71 0.04 2.81 0.21 -4.95 117.12 109.63 2qrg n MET 428 Ca -0.02 0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 2qrg n MET 428 Cb 0.52 -1.57 0.02 0.00 -0.71 0.00 0.00 33.22 31.48 2qrg n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2qrg n SER 429 N -1.78 2.55 0.21 7.83 2.88 -0.90 -4.89 113.62 119.52 2qrg n SER 429 Ca 0.04 1.08 0.08 0.00 -1.33 0.00 0.00 58.87 58.74 2qrg n SER 429 Cb 0.39 -1.51 0.39 0.00 -0.75 0.00 0.00 64.21 62.72 2qrg n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2qrg h LEU 430 N 1.94 0.00 -8.97 2.46 3.38 -1.91 -3.42 115.31 108.79 2qrg h LEU 430 Ca -0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.85 2qrg h LEU 430 Cb 1.30 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.89 2qrg h LEU 430 CO 0.59 0.28 -0.44 -0.69 0.09 0.00 0.00 178.44 178.27 2qrg s VAL 431 N -3.57 5.29 -0.22 1.22 1.01 -1.26 -0.24 120.40 122.62 2qrg s VAL 431 Ca 0.01 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2qrg s VAL 431 Cb 0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2qrg s VAL 431 CO 0.66 0.25 0.17 -1.61 0.00 0.00 0.00 175.10 174.57 2qrg s GLU 432 N 1.63 4.12 0.34 2.72 2.02 0.83 -4.97 118.70 125.40 2qrg s GLU 432 Ca 0.10 -0.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.80 2qrg s GLU 432 Cb -0.15 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2qrg s GLU 432 CO 0.09 0.13 0.65 -1.21 0.02 0.00 0.00 175.26 174.94 2qrg s GLU 433 N 0.84 3.68 0.00 1.61 8.01 -1.26 -1.49 118.70 130.09 2qrg s GLU 433 Ca 0.09 0.18 0.00 0.00 0.01 0.00 0.00 54.97 55.24 2qrg s GLU 433 Cb -0.13 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.15 2qrg s GLU 433 CO 0.03 0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.80 2qrg n GLY 434 N -1.17 -0.50 0.47 -1.39 0.00 -1.26 -4.94 105.19 96.40 2qrg n GLY 434 Ca -0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 2qrg n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrg h ALA 435 N 0.00 -0.97 -3.57 4.61 0.00 -2.07 -3.39 119.26 113.88 2qrg h ALA 435 Ca 0.00 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 2qrg h ALA 435 Cb 0.00 0.93 -0.27 0.00 0.00 0.00 0.00 17.79 18.45 2qrg h ALA 435 CO 0.00 -1.11 -0.78 0.14 0.00 0.00 0.00 179.25 177.50 2qrg s VAL 436 N -5.69 2.92 0.29 0.00 -7.23 -1.26 -5.11 120.40 104.32 2qrg s VAL 436 Ca -0.16 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 2qrg s VAL 436 Cb 0.06 -2.19 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 2qrg s VAL 436 CO 0.60 0.55 1.26 -0.54 -0.31 0.00 0.00 175.10 176.65 2qrg s LYS 437 N 0.01 4.43 0.11 4.82 1.02 -1.26 -4.84 119.74 124.03 2qrg s LYS 437 Ca -0.05 2.09 0.04 0.00 0.02 0.00 0.00 55.97 58.07 2qrg s LYS 437 Cb -0.14 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2qrg s LYS 437 CO 0.04 -0.10 -0.11 1.03 -0.92 0.00 0.00 175.35 175.29 2qrg s ARG 438 N -1.38 0.92 -0.24 1.68 0.52 -0.55 -1.00 118.95 118.90 2qrg s ARG 438 Ca 0.49 -1.24 -0.10 0.00 -0.52 0.00 0.00 55.73 54.37 2qrg s ARG 438 Cb -0.37 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.45 2qrg s ARG 438 CO 0.47 0.09 0.14 0.42 0.02 0.00 0.00 175.30 176.45 2qrg s ILE 439 N -2.61 5.14 -0.53 1.52 -1.09 0.53 -0.12 121.20 124.03 2qrg s ILE 439 Ca 0.09 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.35 2qrg s ILE 439 Cb -0.02 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2qrg s ILE 439 CO 0.00 0.34 1.05 0.21 -1.23 0.00 0.00 174.94 175.31 2qrg s ASN 440 N 1.18 6.45 0.37 3.58 3.84 0.67 -1.73 114.94 129.30 2qrg s ASN 440 Ca 0.07 0.01 0.16 0.00 0.21 0.00 0.00 52.86 53.31 2qrg s ASN 440 Cb -0.14 -2.49 0.71 0.00 -0.55 0.00 0.00 41.25 38.78 2qrg s ASN 440 CO 0.05 -1.28 1.77 0.24 -2.79 0.00 0.00 177.10 175.09 2qrg h MET 441 N 9.33 0.00 -0.60 0.43 2.86 -1.74 -2.51 114.93 122.70 2qrg h MET 441 Ca -0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 2qrg h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2qrg h MET 441 CO 1.11 0.39 0.05 0.00 1.06 0.00 0.00 176.91 179.53 2qrg h ALA 442 N 1.61 0.80 -0.66 6.32 0.00 -1.91 -1.27 119.26 124.14 2qrg h ALA 442 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2qrg h ALA 442 Cb 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qrg h ALA 442 CO 0.05 0.60 0.19 0.45 0.00 0.00 0.00 179.25 180.54 2qrg h HIS 443 N 0.93 1.09 -0.44 0.00 3.86 -1.86 -1.61 115.15 117.12 2qrg h HIS 443 Ca 0.18 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2qrg h HIS 443 Cb 0.49 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 2qrg h HIS 443 CO 0.04 0.88 0.22 1.25 0.86 0.00 0.00 177.93 181.18 2qrg h LEU 444 N 0.97 0.32 -0.61 2.43 6.46 -1.23 -2.03 115.31 121.62 2qrg h LEU 444 Ca 0.21 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2qrg h LEU 444 Cb 0.32 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2qrg h LEU 444 CO -0.00 0.23 0.25 0.00 -0.62 0.00 0.00 178.44 178.30 2qrg h ILE 446 N 0.85 1.21 -0.97 0.00 2.04 -1.16 -2.27 117.51 117.21 2qrg h ILE 446 Ca 0.20 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.43 2qrg h ILE 446 Cb 0.20 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 2qrg h ILE 446 CO -0.02 0.22 0.62 0.00 0.00 0.00 0.00 178.15 178.98 2qrg h ALA 447 N 0.87 1.35 -0.57 1.87 0.00 -1.28 -3.14 119.26 118.36 2qrg h ALA 447 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qrg h ALA 447 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qrg h ALA 447 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2qrg n GLY 448 N -1.35 2.94 3.30 0.00 0.00 -0.79 -4.94 105.19 104.35 2qrg n GLY 448 Ca 0.15 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 2qrg n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qrg s SER 449 N -1.04 2.72 0.11 1.61 0.01 -0.87 -4.01 113.70 112.23 2qrg s SER 449 Ca 0.48 -0.62 0.26 0.00 1.31 0.00 0.00 55.95 57.37 2qrg s SER 449 Cb 0.32 -0.20 0.63 0.00 0.21 0.00 0.00 66.02 66.98 2qrg s SER 449 CO 0.21 0.14 1.55 0.00 0.41 0.00 0.00 173.24 175.55 2qrg n HIS 450 N 1.42 0.50 -3.81 2.43 1.44 -0.78 -4.85 115.22 111.58 2qrg n HIS 450 Ca -0.18 0.15 -0.13 0.00 -2.01 0.00 0.00 57.72 55.55 2qrg n HIS 450 Cb 0.53 -0.66 -0.13 0.00 0.12 0.00 0.00 29.99 29.86 2qrg n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qrg s ALA 451 N -3.10 -0.40 -0.07 1.59 0.00 -1.26 -4.59 121.76 113.93 2qrg s ALA 451 Ca 0.09 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2qrg s ALA 451 Cb 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2qrg s ALA 451 CO 0.66 -0.09 -0.08 0.08 0.00 0.00 0.00 175.76 176.33 2qrg s VAL 452 N 0.19 0.88 0.07 0.00 1.01 0.40 -1.22 120.40 121.73 2qrg s VAL 452 Ca -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2qrg s VAL 452 Cb -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2qrg s VAL 452 CO -0.00 0.32 -0.15 0.54 0.00 0.00 0.00 175.10 175.81 2qrg s ASN 453 N 1.15 1.73 0.64 3.32 4.22 -0.69 -0.42 114.94 124.90 2qrg s ASN 453 Ca -0.06 -0.60 0.05 0.00 -2.14 0.00 0.00 52.86 50.11 2qrg s ASN 453 Cb -0.14 -0.06 0.11 0.00 1.28 0.00 0.00 41.25 42.43 2qrg s ASN 453 CO -0.02 -0.05 0.88 -0.83 -2.04 0.00 0.00 177.10 175.05 2qrg s GLY 454 N -1.65 1.75 0.00 0.45 0.00 -1.05 -1.34 107.32 105.47 2qrg s GLY 454 Ca -0.01 -1.95 0.07 0.00 0.00 0.00 0.00 44.72 42.83 2qrg s GLY 454 CO 0.02 -1.44 0.95 3.33 0.00 0.00 0.00 173.10 175.96 2qrg n VAL 455 N -2.52 0.53 -3.50 1.40 0.24 -1.26 -1.91 118.33 111.31 2qrg n VAL 455 Ca 0.15 -0.77 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 2qrg n VAL 455 Cb 0.61 0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 33.74 2qrg n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qrg s ALA 456 N -0.80 -1.77 0.18 2.33 0.00 -1.26 -0.95 121.76 119.49 2qrg s ALA 456 Ca 0.11 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 2qrg s ALA 456 Cb 0.07 0.16 0.18 0.00 0.00 0.00 0.00 23.12 23.52 2qrg s ALA 456 CO 0.09 -0.51 1.71 -0.09 0.00 0.00 0.00 175.76 176.96 2qrg h ARG 457 N 2.49 0.21 -0.74 0.00 2.43 -1.90 0.61 114.38 117.48 2qrg h ARG 457 Ca -0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 2qrg h ARG 457 Cb 1.20 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2qrg h ARG 457 CO 0.36 0.14 0.34 0.97 -1.51 0.00 0.00 179.97 180.27 2qrg h ILE 458 N 0.22 1.24 -0.13 1.20 2.10 -1.91 -1.61 117.51 118.62 2qrg h ILE 458 Ca 0.24 -0.70 -0.04 0.00 1.08 0.00 0.00 64.86 65.44 2qrg h ILE 458 Cb 0.32 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.35 2qrg h ILE 458 CO -0.32 0.29 -0.09 -0.74 -1.08 0.00 0.00 178.15 176.21 2qrg h HIS 459 N 1.06 0.34 -0.58 2.19 2.76 -1.51 -1.08 115.15 118.34 2qrg h HIS 459 Ca 0.26 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2qrg h HIS 459 Cb 0.13 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2qrg h HIS 459 CO 0.01 0.66 0.37 0.77 -1.30 0.00 0.00 177.93 178.44 2qrg h SER 460 N -0.08 0.67 -0.38 3.26 0.02 -0.78 -0.92 113.55 115.34 2qrg h SER 460 Ca 0.02 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2qrg h SER 460 Cb 0.59 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2qrg h SER 460 CO 0.02 0.49 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.64 2qrg h GLU 461 N 0.78 0.83 -0.96 3.45 4.39 -1.20 -2.97 114.58 118.91 2qrg h GLU 461 Ca 0.21 -0.39 0.05 0.00 0.34 0.00 0.00 59.36 59.57 2qrg h GLU 461 Cb -0.07 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 2qrg h GLU 461 CO -0.04 1.02 0.62 0.82 -1.16 0.00 0.00 179.01 180.27 2qrg h ILE 462 N 0.62 1.14 -0.75 3.13 2.04 -0.50 -1.56 117.51 121.64 2qrg h ILE 462 Ca 0.08 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2qrg h ILE 462 Cb 0.81 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2qrg h ILE 462 CO 0.07 0.21 0.49 -0.07 0.00 0.00 0.00 178.15 178.85 2qrg h LEU 463 N 1.17 0.85 -0.48 1.44 3.38 -1.10 0.41 115.31 120.98 2qrg h LEU 463 Ca 0.39 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 2qrg h LEU 463 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qrg h LEU 463 CO -0.13 0.61 -0.46 0.11 0.09 0.00 0.00 178.44 178.66 2qrg h LYS 464 N 1.00 0.00 0.00 1.13 1.57 -1.28 -1.43 116.57 117.56 2qrg h LYS 464 Ca 0.28 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.81 2qrg h LYS 464 Cb -0.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2qrg h LYS 464 CO -0.06 0.46 -1.82 1.63 -0.57 0.00 0.00 179.45 179.08 2qrg n LYS 465 N -3.38 0.65 0.00 3.15 5.02 -0.63 -3.99 118.16 118.98 2qrg n LYS 465 Ca 0.01 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2qrg n LYS 465 Cb 0.63 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2qrg n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qrg n THR 466 N -2.85 0.00 0.19 -0.18 -2.24 0.11 -4.74 114.28 104.57 2qrg n THR 466 Ca -0.18 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.65 2qrg n THR 466 Cb 0.97 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.70 2qrg n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2qrg h ILE 467 N 0.00 1.12 -0.18 2.28 3.07 -1.68 -2.33 117.51 119.79 2qrg h ILE 467 Ca 0.00 -0.52 -0.03 0.00 1.55 0.00 0.00 64.86 65.85 2qrg h ILE 467 Cb 0.00 1.18 -0.02 0.00 -0.27 0.00 0.00 36.82 37.71 2qrg h ILE 467 CO 0.00 0.16 -0.04 0.49 -1.05 0.00 0.00 178.15 177.70 2qrg n PHE 468 N -4.36 0.63 -0.20 0.16 0.99 -0.54 -4.79 117.46 109.34 2qrg n PHE 468 Ca -0.02 -1.08 0.00 0.00 -0.00 0.00 0.00 57.45 56.35 2qrg n PHE 468 Cb 0.21 -0.29 0.11 0.00 -1.00 0.00 0.00 39.48 38.50 2qrg n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2qrg h LYS 469 N 1.06 0.32 -0.95 -1.08 3.64 -1.40 -1.06 116.57 117.10 2qrg h LYS 469 Ca 0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2qrg h LYS 469 Cb 1.32 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2qrg h LYS 469 CO 0.17 0.21 0.63 -0.44 -2.27 0.00 0.00 179.45 177.76 2qrg h ASP 470 N 0.33 1.08 -0.13 4.20 3.32 -1.87 -1.62 116.42 121.73 2qrg h ASP 470 Ca 0.31 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.13 2qrg h ASP 470 Cb 0.41 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2qrg h ASP 470 CO -0.35 0.78 -0.68 -0.26 -1.72 0.00 0.00 179.24 177.01 2qrg h PHE 471 N 1.27 1.00 -0.79 4.55 0.04 -1.73 -2.62 116.94 118.66 2qrg h PHE 471 Ca 0.36 -0.40 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2qrg h PHE 471 Cb -0.12 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 2qrg h PHE 471 CO -0.00 1.22 0.43 -0.92 -0.60 0.00 0.00 178.31 178.44 2qrg h TYR 472 N 0.55 1.07 -0.36 -0.55 3.20 -0.96 0.24 116.97 120.15 2qrg h TYR 472 Ca -0.02 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2qrg h TYR 472 Cb 1.29 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2qrg h TYR 472 CO 0.07 0.74 -0.14 0.93 -1.64 0.00 0.00 178.16 178.12 2qrg h GLU 473 N 1.10 0.65 -0.02 1.82 5.08 -1.17 -1.78 114.58 120.26 2qrg h GLU 473 Ca 0.28 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2qrg h GLU 473 Cb 0.02 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2qrg h GLU 473 CO -0.05 0.77 -0.48 1.25 -1.00 0.00 0.00 179.01 179.50 2qrg h LEU 474 N 0.59 0.46 -6.20 1.33 5.85 -1.16 -3.41 115.31 112.77 2qrg h LEU 474 Ca 0.10 -0.74 -0.58 0.00 0.84 0.00 0.00 57.88 57.51 2qrg h LEU 474 Cb 0.59 -0.14 -0.39 0.00 0.37 0.00 0.00 40.66 41.08 2qrg h LEU 474 CO 0.04 1.13 -0.96 -0.62 -0.34 0.00 0.00 178.44 177.69 2qrg n GLU 475 N -4.30 0.90 0.12 1.25 1.02 0.05 -4.98 120.64 114.70 2qrg n GLU 475 Ca -0.10 -3.50 0.05 0.00 -0.02 0.00 0.00 57.16 53.59 2qrg n GLU 475 Cb 0.61 -1.56 0.50 0.00 -0.02 0.00 0.00 31.44 30.97 2qrg n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qrg h PRO 476 N 4.56 0.28 0.00 3.49 0.13 -1.54 -2.61 132.00 136.32 2qrg h PRO 476 Ca 0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qrg h PRO 476 Cb 0.85 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2qrg h PRO 476 CO 0.51 0.23 -0.01 1.12 -0.23 0.00 0.00 178.00 179.62 2qrg h HIS 477 N 0.28 0.00 0.00 1.56 2.07 -1.94 -2.73 115.15 114.40 2qrg h HIS 477 Ca 0.07 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.48 2qrg h HIS 477 Cb 0.05 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.01 2qrg h HIS 477 CO 0.00 0.01 -0.54 -0.22 -3.07 0.00 0.00 177.93 174.11 2qrg h LYS 478 N 0.00 0.00 -5.63 5.12 3.64 -1.71 -3.46 116.57 114.53 2qrg h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2qrg h LYS 478 Cb 0.16 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 2qrg h LYS 478 CO 0.00 0.54 -0.06 -0.06 -2.27 0.00 0.00 179.45 177.60 2qrg s PHE 479 N -3.46 3.43 0.20 1.91 0.08 -1.03 -0.45 117.98 118.65 2qrg s PHE 479 Ca 0.00 0.84 0.01 0.00 0.12 0.00 0.00 56.93 57.90 2qrg s PHE 479 Cb 0.11 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 2qrg s PHE 479 CO 0.73 -0.01 0.05 -0.65 -0.10 0.00 0.00 175.22 175.25 2qrg s GLN 480 N 1.27 1.20 -0.03 0.44 -0.21 0.44 -4.97 119.66 117.81 2qrg s GLN 480 Ca 0.25 -1.61 0.06 0.00 0.02 0.00 0.00 55.36 54.08 2qrg s GLN 480 Cb -0.15 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 2qrg s GLN 480 CO 0.10 -0.23 -0.19 1.21 -2.12 0.00 0.00 175.29 174.07 2qrg s ASN 481 N -3.20 3.68 -0.34 5.90 3.84 -1.26 -2.54 114.94 121.02 2qrg s ASN 481 Ca 0.30 -0.32 -0.01 0.00 0.21 0.00 0.00 52.86 53.05 2qrg s ASN 481 Cb 0.07 -0.65 0.13 0.00 -0.55 0.00 0.00 41.25 40.25 2qrg s ASN 481 CO 0.08 0.32 0.19 -0.54 -2.79 0.00 0.00 177.10 174.36 2qrg s LYS 482 N -0.81 0.50 0.24 0.43 -0.14 -0.80 -4.94 119.74 114.22 2qrg s LYS 482 Ca 0.11 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.27 2qrg s LYS 482 Cb -0.10 -1.35 -0.11 0.00 -1.68 0.00 0.00 37.83 34.58 2qrg s LYS 482 CO 0.01 -1.15 1.62 0.99 -0.76 0.00 0.00 175.35 176.06 2qrg s THR 483 N 1.32 2.18 1.08 2.17 2.01 -1.26 -4.23 115.64 118.91 2qrg s THR 483 Ca 0.15 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 2qrg s THR 483 Cb -0.21 -3.09 0.21 0.00 0.01 0.00 0.00 72.50 69.42 2qrg s THR 483 CO -0.10 0.02 0.86 0.59 -0.69 0.00 0.00 174.62 175.30 2qrg n ASN 484 N 3.08 -1.31 -3.32 3.53 5.03 -0.13 -4.64 115.26 117.50 2qrg n ASN 484 Ca 0.12 0.04 -0.11 0.00 0.87 0.00 0.00 54.58 55.49 2qrg n ASN 484 Cb 0.37 -1.27 -0.02 0.00 -1.02 0.00 0.00 39.78 37.84 2qrg n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2qrg s GLY 485 N -2.35 0.86 0.10 7.41 0.00 -1.26 -4.81 107.32 107.26 2qrg s GLY 485 Ca 0.66 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 44.34 2qrg s GLY 485 CO 0.64 -0.66 -0.13 -0.26 0.00 0.00 0.00 173.10 172.69 2qrg s ILE 486 N -3.05 1.16 -0.08 0.90 -4.36 0.07 -4.52 121.20 111.33 2qrg s ILE 486 Ca 0.23 -1.58 -0.30 0.00 -0.26 0.00 0.00 60.65 58.75 2qrg s ILE 486 Cb -0.02 -1.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 2qrg s ILE 486 CO 0.15 -0.40 1.03 0.28 0.24 0.00 0.00 174.94 176.23 2qrg s THR 487 N -1.97 4.72 -1.13 8.37 -1.32 -1.26 -0.83 115.64 122.23 2qrg s THR 487 Ca 0.05 1.99 0.20 0.00 -1.21 0.00 0.00 61.69 62.71 2qrg s THR 487 Cb -0.06 -4.28 0.22 0.00 -1.51 0.00 0.00 72.50 66.88 2qrg s THR 487 CO 0.02 0.03 1.64 -0.81 -2.21 0.00 0.00 174.62 173.30 2qrg n PRO 488 N 4.83 0.09 0.16 7.08 -0.04 -1.26 -1.67 135.00 144.17 2qrg n PRO 488 Ca 0.09 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2qrg n PRO 488 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2qrg n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qrg h ARG 489 N 0.00 -0.42 -0.63 0.54 -0.00 -1.91 -2.36 114.38 109.59 2qrg h ARG 489 Ca 0.00 0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 2qrg h ARG 489 Cb 0.30 0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.34 2qrg h ARG 489 CO 0.00 -0.28 0.26 -0.09 0.00 0.00 0.00 179.97 179.86 2qrg h ARG 490 N -0.73 0.94 -0.46 0.04 2.43 -1.97 -0.34 114.38 114.29 2qrg h ARG 490 Ca -0.04 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2qrg h ARG 490 Cb 0.33 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qrg h ARG 490 CO 0.07 0.79 0.00 0.91 -1.51 0.00 0.00 179.97 180.23 2qrg n TRP 491 N -4.44 0.60 0.11 2.20 7.02 -0.67 -2.86 117.44 119.40 2qrg n TRP 491 Ca 0.04 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 2qrg n TRP 491 Cb 0.16 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 2qrg n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2qrg n LEU 492 N 0.99 -0.30 -0.07 -0.99 7.94 -0.92 -4.78 117.00 118.86 2qrg n LEU 492 Ca 0.18 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.37 2qrg n LEU 492 Cb 0.45 0.46 -0.03 0.00 0.53 0.00 0.00 43.42 44.82 2qrg n LEU 492 CO 0.13 -0.68 0.89 0.58 -1.11 0.00 0.00 177.39 177.20 2qrg h VAL 493 N 0.00 1.15 0.24 1.96 2.07 -1.19 0.12 116.25 120.59 2qrg h VAL 493 Ca 0.00 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2qrg h VAL 493 Cb 0.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2qrg h VAL 493 CO 0.00 0.15 -0.11 0.25 0.02 0.00 0.00 177.57 177.88 2qrg h LEU 494 N 0.25 -0.27 0.00 2.57 6.46 -1.19 -3.23 115.31 119.90 2qrg h LEU 494 Ca 0.08 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2qrg h LEU 494 Cb 0.14 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2qrg h LEU 494 CO -0.01 0.15 -0.46 0.00 -0.62 0.00 0.00 178.44 177.49 2qrg n ASN 496 N -2.45 0.21 0.09 0.00 2.85 0.40 -4.84 115.26 111.52 2qrg n ASN 496 Ca 0.03 -2.97 0.04 0.00 -0.11 0.00 0.00 54.58 51.57 2qrg n ASN 496 Cb 0.48 -0.33 0.44 0.00 1.24 0.00 0.00 39.78 41.61 2qrg n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qrg h PRO 497 N 3.39 0.33 -0.48 1.20 0.13 -1.65 -1.89 132.00 133.02 2qrg h PRO 497 Ca 0.06 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.17 2qrg h PRO 497 Cb 0.95 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2qrg h PRO 497 CO 0.45 0.31 0.30 0.78 -0.23 0.00 0.00 178.00 179.61 2qrg h GLY 498 N 0.53 0.68 0.91 1.56 0.00 -1.91 0.40 103.07 105.24 2qrg h GLY 498 Ca 0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 2qrg h GLY 498 CO -0.00 0.21 -0.19 -2.00 0.00 0.00 0.00 176.54 174.56 2qrg h LEU 499 N 0.61 0.64 -1.06 3.11 5.85 -1.85 -2.65 115.31 119.96 2qrg h LEU 499 Ca 0.19 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.57 2qrg h LEU 499 Cb -0.02 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2qrg h LEU 499 CO -0.07 0.94 0.62 0.00 -0.34 0.00 0.00 178.44 179.59 2qrg h ALA 500 N 0.72 1.53 -0.10 1.25 0.00 -1.09 -2.19 119.26 119.38 2qrg h ALA 500 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2qrg h ALA 500 Cb 0.72 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qrg h ALA 500 CO 0.05 0.27 -0.13 1.49 0.00 0.00 0.00 179.25 180.93 2qrg h GLU 501 N 1.01 0.26 -0.03 0.00 4.57 -0.85 -1.06 114.58 118.48 2qrg h GLU 501 Ca 0.46 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 2qrg h GLU 501 Cb 0.39 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2qrg h GLU 501 CO -0.22 0.70 -0.21 -0.84 -1.18 0.00 0.00 179.01 177.26 2qrg h ILE 502 N -0.17 1.17 -0.06 2.32 3.07 -1.30 -0.36 117.51 122.18 2qrg h ILE 502 Ca 0.01 -0.79 -0.03 0.00 1.55 0.00 0.00 64.86 65.60 2qrg h ILE 502 Cb 0.67 1.39 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 2qrg h ILE 502 CO 0.03 0.23 -0.06 0.40 -1.05 0.00 0.00 178.15 177.70 2qrg h ILE 503 N 0.04 1.37 -0.71 0.16 2.04 -1.37 -3.26 117.51 115.78 2qrg h ILE 503 Ca 0.01 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.69 2qrg h ILE 503 Cb 0.41 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 2qrg h ILE 503 CO 0.03 0.34 0.47 0.00 0.00 0.00 0.00 178.15 178.99 2qrg h ALA 504 N 0.55 1.66 -0.62 1.87 0.00 -0.61 -1.46 119.26 120.65 2qrg h ALA 504 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2qrg h ALA 504 Cb 0.57 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2qrg h ALA 504 CO 0.02 0.25 0.42 0.93 0.00 0.00 0.00 179.25 180.86 2qrg h GLU 505 N 0.80 0.47 0.06 0.00 5.08 -1.13 0.81 114.58 120.68 2qrg h GLU 505 Ca 0.30 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 58.31 2qrg h GLU 505 Cb 0.17 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qrg h GLU 505 CO -0.09 0.31 -1.77 0.54 -1.00 0.00 0.00 179.01 177.00 2qrg n ARG 506 N -4.48 0.67 -0.01 2.33 5.12 -0.64 -4.68 116.66 114.97 2qrg n ARG 506 Ca 0.10 0.38 0.01 0.00 -1.93 0.00 0.00 57.85 56.40 2qrg n ARG 506 Cb 0.34 -1.70 0.01 0.00 -1.16 0.00 0.00 32.46 29.95 2qrg n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2qrg n ILE 507 N -3.89 0.69 -3.45 0.55 -5.35 -0.67 -5.12 119.36 102.12 2qrg n ILE 507 Ca -0.34 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 2qrg n ILE 507 Cb 0.89 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 2qrg n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qrg n GLY 508 N -0.26 -2.09 0.08 3.28 0.00 0.28 -4.63 105.19 101.85 2qrg n GLY 508 Ca 0.01 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.64 2qrg n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qrg n GLU 509 N -0.04 0.21 0.30 1.61 1.02 -1.26 -4.21 120.64 118.27 2qrg n GLU 509 Ca 0.00 -0.17 0.18 0.00 -0.02 0.00 0.00 57.16 57.15 2qrg n GLU 509 Cb 0.00 -1.50 0.96 0.00 -0.02 0.00 0.00 31.44 30.88 2qrg n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2qrg h GLU 510 N 0.42 0.00 0.00 3.49 4.22 -1.96 -2.60 114.58 118.14 2qrg h GLU 510 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2qrg h GLU 510 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2qrg h GLU 510 CO 0.00 0.03 -0.05 0.10 -2.18 0.00 0.00 179.01 176.91 2qrg h TYR 511 N 0.00 0.00 0.00 0.92 -0.00 -1.80 -2.61 116.97 113.49 2qrg h TYR 511 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2qrg h TYR 511 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.87 2qrg h TYR 511 CO 0.00 0.05 -0.19 0.82 -0.00 0.00 0.00 178.16 178.84 2qrg h ILE 512 N 0.00 1.09 -0.17 -0.90 2.04 -1.82 -2.00 117.51 115.75 2qrg h ILE 512 Ca -0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2qrg h ILE 512 Cb 0.27 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2qrg h ILE 512 CO 0.01 0.18 0.00 -1.54 0.00 0.00 0.00 178.15 176.80 2qrg n SER 513 N -4.25 2.64 -2.92 1.72 3.41 -1.10 -4.66 113.62 108.45 2qrg n SER 513 Ca -0.02 -2.26 -0.14 0.00 -0.26 0.00 0.00 58.87 56.19 2qrg n SER 513 Cb 0.25 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2qrg n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qrg n ASP 514 N -0.22 -1.83 0.32 4.04 4.64 -0.81 -5.03 116.55 117.66 2qrg n ASP 514 Ca 0.09 -3.04 0.21 0.00 -1.38 0.00 0.00 54.79 50.67 2qrg n ASP 514 Cb 0.44 0.91 1.06 0.00 -1.04 0.00 0.00 41.12 42.50 2qrg n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2qrg h LEU 515 N 4.14 0.00 -2.54 -2.67 5.85 -1.69 -1.62 115.31 116.78 2qrg h LEU 515 Ca -0.04 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2qrg h LEU 515 Cb 0.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2qrg h LEU 515 CO 0.35 0.00 0.10 0.44 -0.34 0.00 0.00 178.44 178.99 2qrg h ASP 516 N 0.00 0.00 0.41 1.25 3.32 -1.85 -1.77 116.42 117.78 2qrg h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qrg h ASP 516 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2qrg h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2qrg h GLN 517 N 0.00 0.00 -0.00 3.56 4.20 -1.62 -2.57 115.11 118.68 2qrg h GLN 517 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2qrg h GLN 517 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2qrg h GLN 517 CO -0.00 0.00 0.02 -0.07 -0.67 0.00 0.00 178.83 178.11 2qrg h LEU 518 N 0.00 0.00 -2.17 1.46 3.38 -1.55 -1.96 115.31 114.46 2qrg h LEU 518 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qrg h LEU 518 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2qrg h LEU 518 CO 0.00 0.00 0.22 0.03 0.09 0.00 0.00 178.44 178.78 2qrg h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -1.02 -0.74 114.38 116.82 2qrg h ARG 519 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qrg h ARG 519 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2qrg h ARG 519 CO -0.00 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 179.77 2qrg h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.61 -2.03 116.57 114.54 2qrg h LYS 520 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2qrg h LYS 520 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2qrg h LYS 520 CO -0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 2qrg h LEU 521 N 0.00 0.00 -1.96 2.94 3.38 -1.35 -2.92 115.31 115.40 2qrg h LEU 521 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2qrg h LEU 521 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qrg h LEU 521 CO 0.00 0.00 0.13 -0.07 0.09 0.00 0.00 178.44 178.59 2qrg h LEU 522 N 0.00 0.04 0.00 1.67 4.07 -1.55 -0.60 115.31 118.94 2qrg h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qrg h LEU 522 Cb 0.42 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2qrg h LEU 522 CO 0.00 0.03 0.00 -1.54 -1.08 0.00 0.00 178.44 175.85 2qrg n SER 523 N -4.49 0.00 -0.42 -0.43 3.41 -1.10 -3.04 113.62 107.54 2qrg n SER 523 Ca 0.01 -0.56 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 2qrg n SER 523 Cb 0.23 -0.08 0.09 0.00 -0.26 0.00 0.00 64.21 64.18 2qrg n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qrg n TYR 524 N -1.08 0.23 0.27 7.33 4.01 -0.24 -4.67 117.16 123.02 2qrg n TYR 524 Ca 0.16 -0.34 0.15 0.00 -0.16 0.00 0.00 57.90 57.71 2qrg n TYR 524 Cb 0.11 -0.02 0.78 0.00 -0.31 0.00 0.00 39.34 39.90 2qrg n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2qrg h VAL 525 N 1.53 0.42 -0.32 -0.72 3.04 -1.56 -1.60 116.25 117.04 2qrg h VAL 525 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2qrg h VAL 525 Cb 0.56 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2qrg h VAL 525 CO 0.00 0.09 0.00 0.47 -1.01 0.00 0.00 177.57 177.12 2qrg n ASP 526 N -3.50 2.92 -4.64 3.17 10.43 -1.26 -4.86 116.55 118.81 2qrg n ASP 526 Ca -0.02 -1.87 -0.43 0.00 2.57 0.00 0.00 54.79 55.04 2qrg n ASP 526 Cb 0.22 -0.21 -0.02 0.00 1.84 0.00 0.00 41.12 42.95 2qrg n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qrg s ASP 527 N -1.10 6.90 0.26 -2.24 3.68 -0.60 -4.94 116.67 118.63 2qrg s ASP 527 Ca 0.27 1.01 -0.01 0.00 2.13 0.00 0.00 52.55 55.95 2qrg s ASP 527 Cb 0.15 -2.53 0.34 0.00 -1.45 0.00 0.00 42.92 39.44 2qrg s ASP 527 CO 0.21 -0.84 1.73 -0.08 0.13 0.00 0.00 175.17 176.31 2qrg h GLU 528 N 8.08 0.68 -0.32 4.34 4.57 -1.92 -1.47 114.58 128.54 2qrg h GLU 528 Ca -0.21 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 57.70 2qrg h GLU 528 Cb 1.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2qrg h GLU 528 CO 1.01 0.78 0.01 0.00 -1.18 0.00 0.00 179.01 179.64 2qrg h ALA 529 N 1.25 0.43 -0.39 2.92 0.00 -1.95 -2.49 119.26 119.02 2qrg h ALA 529 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2qrg h ALA 529 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qrg h ALA 529 CO 0.04 0.17 0.05 0.35 0.00 0.00 0.00 179.25 179.86 2qrg h PHE 530 N 0.36 0.70 -0.63 0.00 3.04 -1.83 -1.02 116.94 117.56 2qrg h PHE 530 Ca 0.09 -0.10 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2qrg h PHE 530 Cb 0.42 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.67 2qrg h PHE 530 CO 0.03 0.70 0.26 0.82 -2.02 0.00 0.00 178.31 178.10 2qrg h ILE 531 N 0.50 0.78 -0.43 1.41 2.04 -1.30 -0.17 117.51 120.35 2qrg h ILE 531 Ca 0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2qrg h ILE 531 Cb 0.38 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2qrg h ILE 531 CO 0.01 0.08 0.19 -0.09 0.00 0.00 0.00 178.15 178.34 2qrg h ARG 532 N 0.45 0.63 -0.52 2.37 2.43 -1.17 -2.58 114.38 115.98 2qrg h ARG 532 Ca 0.32 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2qrg h ARG 532 Cb 0.39 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2qrg h ARG 532 CO -0.30 0.57 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.19 2qrg h ASP 533 N 0.55 0.99 -0.26 -3.80 3.32 -0.61 -0.56 116.42 116.05 2qrg h ASP 533 Ca 0.14 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2qrg h ASP 533 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qrg h ASP 533 CO -0.01 1.11 0.14 0.58 -1.72 0.00 0.00 179.24 179.33 2qrg h VAL 534 N 0.86 1.13 -0.35 -1.35 2.07 -1.02 -1.25 116.25 116.33 2qrg h VAL 534 Ca 0.14 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2qrg h VAL 534 Cb 0.66 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2qrg h VAL 534 CO 0.05 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 2qrg h ALA 535 N 1.01 1.14 -0.32 1.67 0.00 -1.37 -2.46 119.26 118.93 2qrg h ALA 535 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2qrg h ALA 535 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qrg h ALA 535 CO -0.01 0.54 0.07 -0.22 0.00 0.00 0.00 179.25 179.63 2qrg h LYS 536 N 0.56 0.52 -0.67 0.00 3.64 -0.88 -1.76 116.57 117.98 2qrg h LYS 536 Ca 0.10 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2qrg h LYS 536 Cb 0.53 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2qrg h LYS 536 CO 0.03 0.60 0.40 0.28 -2.27 0.00 0.00 179.45 178.48 2qrg h VAL 537 N 0.36 1.20 -0.30 2.00 2.07 -1.09 -0.94 116.25 119.55 2qrg h VAL 537 Ca 0.10 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2qrg h VAL 537 Cb 0.32 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qrg h VAL 537 CO 0.00 0.21 0.15 0.50 0.02 0.00 0.00 177.57 178.45 2qrg h LYS 538 N 0.91 0.43 -0.76 1.57 1.63 -1.38 -1.44 116.57 117.53 2qrg h LYS 538 Ca 0.24 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 2qrg h LYS 538 Cb -0.01 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 2qrg h LYS 538 CO -0.04 0.39 0.50 0.37 -3.45 0.00 0.00 179.45 177.22 2qrg h GLN 539 N 0.36 0.96 -0.65 1.90 5.75 -1.03 -0.66 115.11 121.74 2qrg h GLN 539 Ca 0.10 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2qrg h GLN 539 Cb 0.10 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 2qrg h GLN 539 CO -0.01 0.64 0.37 0.93 -2.65 0.00 0.00 178.83 178.10 2qrg h GLU 540 N 0.99 0.90 -0.68 1.69 5.08 -1.00 -0.45 114.58 121.11 2qrg h GLU 540 Ca 0.29 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2qrg h GLU 540 Cb -0.05 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2qrg h GLU 540 CO -0.09 0.67 0.28 -0.91 -1.00 0.00 0.00 179.01 177.97 2qrg h ASN 541 N 0.89 0.93 -0.70 1.42 2.35 -0.83 -1.16 115.58 118.47 2qrg h ASN 541 Ca 0.23 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2qrg h ASN 541 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2qrg h ASN 541 CO -0.04 0.84 0.15 0.11 -1.65 0.00 0.00 177.43 176.84 2qrg h LYS 542 N 0.97 1.14 -0.31 0.81 1.57 -0.83 -1.27 116.57 118.65 2qrg h LYS 542 Ca 0.23 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2qrg h LYS 542 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2qrg h LYS 542 CO -0.02 1.02 0.10 -0.07 -0.57 0.00 0.00 179.45 179.91 2qrg h LEU 543 N 1.08 0.46 -0.66 2.94 3.38 -0.87 -1.11 115.31 120.53 2qrg h LEU 543 Ca 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qrg h LEU 543 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2qrg h LEU 543 CO 0.01 0.54 0.37 0.50 0.09 0.00 0.00 178.44 179.95 2qrg h LYS 544 N 0.35 0.91 -0.29 1.13 3.64 -1.07 -1.62 116.57 119.62 2qrg h LYS 544 Ca 0.10 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2qrg h LYS 544 Cb 0.24 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2qrg h LYS 544 CO -0.00 0.67 -0.42 0.35 -2.27 0.00 0.00 179.45 177.78 2qrg h PHE 545 N 0.89 0.86 -0.29 1.91 3.57 -1.15 -1.12 116.94 121.61 2qrg h PHE 545 Ca 0.23 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2qrg h PHE 545 Cb 0.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2qrg h PHE 545 CO -0.01 1.01 0.02 0.00 -2.23 0.00 0.00 178.31 177.10 2qrg h ALA 546 N 0.95 1.49 -0.17 2.41 0.00 -1.01 -1.65 119.26 121.28 2qrg h ALA 546 Ca 0.04 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2qrg h ALA 546 Cb 0.96 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qrg h ALA 546 CO 0.09 0.37 -0.70 0.00 0.00 0.00 0.00 179.25 179.00 2qrg h ALA 547 N 1.60 0.42 -0.80 0.00 0.00 -1.04 -2.91 119.26 116.54 2qrg h ALA 547 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qrg h ALA 547 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2qrg h ALA 547 CO 0.00 0.70 0.47 -0.92 0.00 0.00 0.00 179.25 179.50 2qrg h TYR 548 N 0.52 1.07 -0.44 0.00 5.03 -0.81 -1.94 116.97 120.41 2qrg h TYR 548 Ca -0.03 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.16 2qrg h TYR 548 Cb 1.31 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 2qrg h TYR 548 CO 0.07 0.72 -0.14 -0.07 -1.32 0.00 0.00 178.16 177.42 2qrg h LEU 549 N 1.11 0.89 -0.40 2.82 3.38 -1.29 -2.17 115.31 119.65 2qrg h LEU 549 Ca 0.29 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2qrg h LEU 549 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2qrg h LEU 549 CO -0.05 1.07 -0.00 -0.33 0.09 0.00 0.00 178.44 179.21 2qrg h GLU 550 N 0.71 0.71 -0.07 1.13 5.08 -1.38 -1.25 114.58 119.52 2qrg h GLU 550 Ca 0.11 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2qrg h GLU 550 Cb 0.69 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2qrg h GLU 550 CO 0.05 0.80 0.01 0.00 -1.00 0.00 0.00 179.01 178.87 2qrg h ARG 551 N 0.54 0.11 0.00 2.33 3.08 -1.33 -1.74 114.38 117.37 2qrg h ARG 551 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2qrg h ARG 551 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qrg h ARG 551 CO 0.02 0.35 -1.30 0.39 -1.07 0.00 0.00 179.97 178.36 2qrg n GLU 552 N -4.88 0.50 0.00 0.04 4.71 -0.82 -4.54 120.64 115.65 2qrg n GLU 552 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2qrg n GLU 552 Cb 0.17 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 2qrg n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qrg n TYR 553 N -2.29 0.00 -2.13 -0.32 4.01 -0.52 -5.03 117.16 110.88 2qrg n TYR 553 Ca -0.00 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 2qrg n TYR 553 Cb 0.51 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 2qrg n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qrg n LYS 554 N -0.02 -1.88 -3.86 -0.72 4.76 -0.65 -4.93 118.16 110.85 2qrg n LYS 554 Ca 0.00 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 55.80 2qrg n LYS 554 Cb 0.24 -5.23 -0.07 0.00 -1.84 0.00 0.00 35.03 28.13 2qrg n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qrg s VAL 555 N -2.55 5.45 -0.18 -0.18 -7.23 -1.14 -4.92 120.40 109.65 2qrg s VAL 555 Ca 0.00 0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.31 2qrg s VAL 555 Cb 0.00 -3.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 2qrg s VAL 555 CO 0.00 0.58 0.00 -1.00 -0.31 0.00 0.00 175.10 174.37 2qrg s HIS 556 N -0.71 3.08 0.07 2.82 3.76 -1.26 -3.12 115.29 119.93 2qrg s HIS 556 Ca 0.13 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2qrg s HIS 556 Cb -0.12 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 2qrg s HIS 556 CO 0.03 -0.07 -0.11 0.96 -0.85 0.00 0.00 174.74 174.70 2qrg s ILE 557 N 0.60 0.90 -0.41 0.60 -4.36 -1.26 -5.12 121.20 112.15 2qrg s ILE 557 Ca -0.00 -1.29 -0.27 0.00 -0.26 0.00 0.00 60.65 58.82 2qrg s ILE 557 Cb -0.14 -0.97 0.02 0.00 1.25 0.00 0.00 42.46 42.62 2qrg s ILE 557 CO 0.02 -0.33 1.00 0.21 0.24 0.00 0.00 174.94 176.08 2qrg s ASN 558 N -1.81 6.67 0.01 4.36 2.47 -1.26 -4.93 114.94 120.45 2qrg s ASN 558 Ca -0.03 0.52 0.16 0.00 0.42 0.00 0.00 52.86 53.93 2qrg s ASN 558 Cb -0.09 -2.49 0.67 0.00 -1.45 0.00 0.00 41.25 37.89 2qrg s ASN 558 CO 0.01 -1.00 1.50 -2.65 -3.72 0.00 0.00 177.10 171.24 2qrg n PRO 559 N 7.14 0.01 0.00 0.43 -0.02 -1.26 -2.24 135.00 139.06 2qrg n PRO 559 Ca 0.09 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2qrg n PRO 559 Cb 0.48 -1.51 0.44 0.00 -0.02 0.00 0.00 33.50 32.88 2qrg n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qrg n ASN 560 N -1.53 0.78 -4.90 2.55 5.03 -1.26 -4.89 115.26 111.04 2qrg n ASN 560 Ca 0.04 -0.69 -0.29 0.00 0.87 0.00 0.00 54.58 54.51 2qrg n ASN 560 Cb 0.18 0.07 0.02 0.00 -1.02 0.00 0.00 39.78 39.03 2qrg n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2qrg s SER 561 N -2.56 5.98 -0.10 6.41 1.04 -0.95 -4.93 113.70 118.58 2qrg s SER 561 Ca 0.24 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.42 2qrg s SER 561 Cb 0.19 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 64.14 2qrg s SER 561 CO 0.53 -0.88 1.37 -0.22 0.98 0.00 0.00 173.24 175.01 2qrg s LEU 562 N -5.01 4.25 -0.61 2.42 0.20 0.23 -4.76 118.68 115.40 2qrg s LEU 562 Ca 0.53 1.90 -0.25 0.00 0.69 0.00 0.00 54.13 57.00 2qrg s LEU 562 Cb -0.11 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.16 2qrg s LEU 562 CO 0.48 -0.77 1.02 -0.36 -0.29 0.00 0.00 176.35 176.44 2qrg s PHE 563 N 3.28 2.67 -0.38 5.38 2.99 -1.26 -0.64 117.98 130.01 2qrg s PHE 563 Ca 0.61 -0.12 -0.11 0.00 0.00 0.00 0.00 56.93 57.31 2qrg s PHE 563 Cb -0.26 -4.26 0.03 0.00 0.00 0.00 0.00 43.02 38.53 2qrg s PHE 563 CO 0.21 -1.56 0.21 0.34 -0.00 0.00 0.00 175.22 174.42 2qrg s ASP 564 N 3.21 5.71 -0.10 1.36 3.68 0.08 -1.41 116.67 129.20 2qrg s ASP 564 Ca 0.30 -1.06 0.03 0.00 2.13 0.00 0.00 52.55 53.94 2qrg s ASP 564 Cb -0.12 -2.01 0.01 0.00 -1.45 0.00 0.00 42.92 39.34 2qrg s ASP 564 CO 0.17 -0.40 -0.18 -0.69 0.13 0.00 0.00 175.17 174.19 2qrg s VAL 565 N 1.53 1.66 -0.31 1.11 1.01 -0.47 0.11 120.40 125.04 2qrg s VAL 565 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2qrg s VAL 565 Cb -0.20 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.80 2qrg s VAL 565 CO 0.06 0.47 0.06 -1.58 0.00 0.00 0.00 175.10 174.12 2qrg s GLN 566 N 0.70 1.06 -0.14 2.72 0.74 0.01 -1.86 119.66 122.89 2qrg s GLN 566 Ca -0.12 -1.31 0.02 0.00 0.05 0.00 0.00 55.36 54.00 2qrg s GLN 566 Cb -0.16 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.50 2qrg s GLN 566 CO 0.03 -0.92 -0.20 0.14 -0.55 0.00 0.00 175.29 173.79 2qrg s VAL 567 N 1.36 1.90 0.00 1.34 -7.23 -1.26 -1.96 120.40 114.55 2qrg s VAL 567 Ca 0.08 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2qrg s VAL 567 Cb -0.18 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2qrg s VAL 567 CO -0.17 0.52 0.00 2.29 -0.31 0.00 0.00 175.10 177.43 2qrg n LYS 568 N 4.19 0.00 -1.69 4.82 2.85 -0.95 -4.99 118.16 122.39 2qrg n LYS 568 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 2qrg n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 2qrg n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qrg n ARG 569 N -0.28 1.43 -2.57 -1.58 5.12 -1.26 -3.95 116.66 113.57 2qrg n ARG 569 Ca 0.00 0.53 -0.43 0.00 -1.93 0.00 0.00 57.85 56.02 2qrg n ARG 569 Cb 0.00 -2.40 -0.02 0.00 -1.16 0.00 0.00 32.46 28.88 2qrg n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qrg s ILE 570 N -1.34 4.53 -0.11 0.55 -1.09 -0.50 -4.90 121.20 118.34 2qrg s ILE 570 Ca 0.72 1.84 -0.20 0.00 -2.23 0.00 0.00 60.65 60.78 2qrg s ILE 570 Cb -0.44 -4.19 0.05 0.00 -1.58 0.00 0.00 42.46 36.30 2qrg s ILE 570 CO 0.50 -0.15 0.49 -2.28 -1.23 0.00 0.00 174.94 172.26 2qrg s HIS 571 N 3.24 -0.47 0.28 3.97 2.46 -1.26 -4.70 115.29 118.80 2qrg s HIS 571 Ca 0.48 1.00 0.01 0.00 0.47 0.00 0.00 55.06 57.02 2qrg s HIS 571 Cb -0.18 0.21 0.54 0.00 -0.13 0.00 0.00 32.58 33.02 2qrg s HIS 571 CO 0.10 -0.38 1.83 0.93 -2.47 0.00 0.00 174.74 174.76 2qrg h GLU 572 N 4.42 0.95 0.00 2.88 5.08 -1.96 -2.24 114.58 123.70 2qrg h GLU 572 Ca -0.28 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2qrg h GLU 572 Cb 1.17 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2qrg h GLU 572 CO 0.29 0.63 -0.23 0.10 -1.00 0.00 0.00 179.01 178.80 2qrg h TYR 573 N 0.97 0.00 0.00 4.33 -0.00 -1.97 -2.08 116.97 118.22 2qrg h TYR 573 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.22 2qrg h TYR 573 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.21 2qrg h TYR 573 CO -0.01 0.23 -0.01 1.63 -0.00 0.00 0.00 178.16 180.00 2qrg n LYS 574 N -3.97 0.08 -3.67 0.10 5.02 -0.85 -3.02 118.16 111.84 2qrg n LYS 574 Ca -0.02 0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 2qrg n LYS 574 Cb 0.31 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2qrg n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qrg n ARG 575 N -1.72 -6.28 -0.14 1.97 1.74 -0.78 -4.10 116.66 107.35 2qrg n ARG 575 Ca 0.07 0.72 0.27 0.00 -0.77 0.00 0.00 57.85 58.14 2qrg n ARG 575 Cb 0.37 -5.60 0.72 0.00 -1.02 0.00 0.00 32.46 26.92 2qrg n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qrg h GLN 576 N -2.16 0.00 -0.47 5.56 7.50 -1.85 -1.56 115.11 122.14 2qrg h GLN 576 Ca -0.59 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.52 2qrg h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 2qrg h GLN 576 CO 0.58 0.00 0.13 -0.07 -1.50 0.00 0.00 178.83 177.97 2qrg h LEU 577 N 0.00 0.63 -0.63 1.46 3.38 -1.91 -1.31 115.31 116.94 2qrg h LEU 577 Ca 0.39 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2qrg h LEU 577 Cb 1.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2qrg h LEU 577 CO -0.00 0.62 0.18 0.25 0.09 0.00 0.00 178.44 179.57 2qrg h LEU 578 N 0.67 0.93 -0.22 1.67 5.85 -1.66 -1.50 115.31 121.05 2qrg h LEU 578 Ca 0.16 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2qrg h LEU 578 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qrg h LEU 578 CO -0.01 0.90 0.06 -1.13 -0.34 0.00 0.00 178.44 177.93 2qrg h ASN 579 N 0.91 0.05 -0.83 1.25 -0.00 -1.42 -2.40 115.58 113.14 2qrg h ASN 579 Ca 0.20 0.03 0.11 0.00 -0.00 0.00 0.00 56.30 56.64 2qrg h ASN 579 Cb 0.32 0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 38.59 2qrg h ASN 579 CO -0.00 0.06 0.45 0.00 -0.00 0.00 0.00 177.43 177.94 2qrg h LEU 581 N 0.72 1.08 -0.44 0.00 3.38 -1.00 -1.73 115.31 117.31 2qrg h LEU 581 Ca 0.42 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 2qrg h LEU 581 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qrg h LEU 581 CO -0.29 0.93 0.06 -0.74 0.09 0.00 0.00 178.44 178.50 2qrg h HIS 582 N 1.15 0.79 -0.31 1.13 2.76 -0.85 -1.24 115.15 118.59 2qrg h HIS 582 Ca 0.27 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2qrg h HIS 582 Cb 0.17 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2qrg h HIS 582 CO 0.02 0.75 0.06 0.28 -1.30 0.00 0.00 177.93 177.73 2qrg h VAL 583 N 0.60 0.85 -0.50 5.26 2.07 -0.90 -0.26 116.25 123.36 2qrg h VAL 583 Ca 0.13 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 2qrg h VAL 583 Cb 0.39 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2qrg h VAL 583 CO 0.01 0.03 0.03 0.40 0.02 0.00 0.00 177.57 178.07 2qrg h ILE 584 N 0.17 1.24 -0.11 4.57 2.04 -1.26 -1.11 117.51 123.04 2qrg h ILE 584 Ca 0.14 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.07 2qrg h ILE 584 Cb 0.16 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2qrg h ILE 584 CO -0.19 0.34 -0.05 0.74 0.00 0.00 0.00 178.15 178.99 2qrg h THR 585 N 0.77 0.83 -0.54 -0.27 2.02 -0.64 0.92 112.91 115.99 2qrg h THR 585 Ca 0.15 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.35 2qrg h THR 585 Cb 0.41 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2qrg h THR 585 CO 0.01 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.17 2qrg h LEU 586 N -0.04 0.56 -0.12 2.58 4.07 -0.74 -0.98 115.31 120.64 2qrg h LEU 586 Ca 0.06 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.03 2qrg h LEU 586 Cb 0.14 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2qrg h LEU 586 CO -0.14 0.40 0.06 0.22 -1.08 0.00 0.00 178.44 177.90 2qrg h TYR 587 N 0.68 0.11 -0.78 1.13 5.03 -0.96 -1.90 116.97 120.28 2qrg h TYR 587 Ca 0.21 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 2qrg h TYR 587 Cb -0.02 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 2qrg h TYR 587 CO -0.05 0.06 0.42 -0.91 -1.32 0.00 0.00 178.16 176.36 2qrg h ASN 588 N 0.13 0.97 -0.41 -2.11 2.35 -0.56 -1.40 115.58 114.56 2qrg h ASN 588 Ca 0.05 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 2qrg h ASN 588 Cb 0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2qrg h ASN 588 CO -0.04 0.79 -0.07 0.03 -1.65 0.00 0.00 177.43 176.49 2qrg h ARG 589 N 1.09 0.84 -0.32 0.81 3.08 -1.05 -1.21 114.38 117.63 2qrg h ARG 589 Ca 0.27 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2qrg h ARG 589 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2qrg h ARG 589 CO -0.04 0.89 0.06 0.82 -1.07 0.00 0.00 179.97 180.63 2qrg h ILE 590 N 0.77 1.23 -0.04 2.04 2.04 -0.96 -2.03 117.51 120.54 2qrg h ILE 590 Ca 0.13 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2qrg h ILE 590 Cb 0.56 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2qrg h ILE 590 CO 0.03 0.26 -0.13 0.11 0.00 0.00 0.00 178.15 178.42 2qrg h LYS 591 N 0.35 0.06 -0.15 2.37 1.79 -1.08 -1.33 116.57 118.58 2qrg h LYS 591 Ca 0.10 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.33 2qrg h LYS 591 Cb 0.32 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2qrg h LYS 591 CO 0.00 0.20 -0.78 -0.22 -1.08 0.00 0.00 179.45 177.57 2qrg h LYS 592 N 0.06 0.79 -2.37 3.15 3.64 -1.04 -3.39 116.57 117.40 2qrg h LYS 592 Ca 0.01 -0.64 -0.59 0.00 -1.27 0.00 0.00 60.65 58.16 2qrg h LYS 592 Cb 0.27 0.13 -0.39 0.00 -0.41 0.00 0.00 32.23 31.83 2qrg h LYS 592 CO 0.02 1.25 -0.93 0.39 -2.27 0.00 0.00 179.45 177.91 2qrg n GLU 593 N -3.93 0.69 0.17 1.90 1.02 -0.78 -5.01 120.64 114.71 2qrg n GLU 593 Ca -0.07 -3.47 0.04 0.00 -0.02 0.00 0.00 57.16 53.64 2qrg n GLU 593 Cb 0.75 -1.69 0.47 0.00 -0.02 0.00 0.00 31.44 30.95 2qrg n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qrg h PRO 594 N 5.12 0.13 -0.61 3.49 0.11 -1.47 -2.86 132.00 135.92 2qrg h PRO 594 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qrg h PRO 594 Cb 0.86 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qrg h PRO 594 CO 0.47 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 2qrg n ASN 595 N -4.35 3.42 -4.81 -2.05 4.13 -1.26 -4.86 115.26 105.48 2qrg n ASN 595 Ca -0.01 -2.10 -0.38 0.00 1.68 0.00 0.00 54.58 53.77 2qrg n ASN 595 Cb 0.22 -0.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.96 2qrg n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2qrg s LYS 596 N -1.36 4.01 0.18 3.52 2.36 -1.08 -5.06 119.74 122.31 2qrg s LYS 596 Ca 0.41 0.39 -0.30 0.00 -2.55 0.00 0.00 55.97 53.91 2qrg s LYS 596 Cb 0.22 -3.27 -0.08 0.00 -1.05 0.00 0.00 37.83 33.65 2qrg s LYS 596 CO 0.25 0.57 1.19 0.12 1.55 0.00 0.00 175.35 179.03 2qrg s PHE 597 N -0.67 3.44 0.04 4.03 5.36 -1.26 -5.05 117.98 123.87 2qrg s PHE 597 Ca 0.23 1.44 0.04 0.00 -0.96 0.00 0.00 56.93 57.68 2qrg s PHE 597 Cb -0.16 -3.41 -0.02 0.00 -0.34 0.00 0.00 43.02 39.08 2qrg s PHE 597 CO 0.12 -1.14 -0.12 0.14 -1.46 0.00 0.00 175.22 172.76 2qrg s VAL 598 N -0.02 0.89 0.02 3.12 -7.23 -1.26 -5.11 120.40 110.81 2qrg s VAL 598 Ca 0.53 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 2qrg s VAL 598 Cb -0.32 -0.85 -0.08 0.00 0.56 0.00 0.00 36.38 35.69 2qrg s VAL 598 CO 0.36 -0.15 1.72 -0.69 -0.31 0.00 0.00 175.10 176.03 2qrg s VAL 599 N -1.04 3.20 0.32 1.32 1.01 -1.26 -4.94 120.40 119.00 2qrg s VAL 599 Ca -0.03 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 2qrg s VAL 599 Cb -0.08 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2qrg s VAL 599 CO 0.01 -0.02 1.35 -2.84 0.00 0.00 0.00 175.10 173.59 2qrg s PRO 600 N 3.47 4.32 0.02 2.72 0.02 -1.26 -4.93 135.00 139.36 2qrg s PRO 600 Ca 0.77 2.26 0.05 0.00 0.02 0.00 0.00 61.00 64.10 2qrg s PRO 600 Cb -0.38 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.05 2qrg s PRO 600 CO 0.33 -0.26 -0.14 1.03 -0.33 0.00 0.00 177.00 177.63 2qrg s ARG 601 N -1.57 1.04 -0.33 5.54 0.52 -0.55 -0.60 118.95 123.00 2qrg s ARG 601 Ca 0.51 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 2qrg s ARG 601 Cb -0.41 -1.03 0.03 0.00 0.52 0.00 0.00 34.95 34.06 2qrg s ARG 601 CO 0.52 0.27 0.10 0.99 0.02 0.00 0.00 175.30 177.20 2qrg s THR 602 N -0.59 3.80 -0.30 0.02 2.01 0.19 -2.03 115.64 118.73 2qrg s THR 602 Ca 0.04 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 60.83 2qrg s THR 602 Cb -0.07 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2qrg s THR 602 CO 0.00 -0.13 0.41 -0.69 -0.69 0.00 0.00 174.62 173.53 2qrg s VAL 603 N 1.42 5.13 -0.15 3.82 1.01 0.71 -0.74 120.40 131.60 2qrg s VAL 603 Ca -0.01 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2qrg s VAL 603 Cb -0.19 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2qrg s VAL 603 CO 0.03 0.02 -0.17 -0.04 0.00 0.00 0.00 175.10 174.94 2qrg s MET 604 N 2.15 3.18 -0.06 2.72 -1.94 0.12 -0.95 119.30 124.53 2qrg s MET 604 Ca 0.16 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 2qrg s MET 604 Cb -0.16 -2.57 0.01 0.00 2.01 0.00 0.00 34.83 34.12 2qrg s MET 604 CO 0.11 0.04 -0.12 0.42 -0.01 0.00 0.00 175.02 175.46 2qrg s ILE 605 N 0.74 1.12 0.04 2.53 1.01 -0.59 -0.81 121.20 125.24 2qrg s ILE 605 Ca -0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2qrg s ILE 605 Cb -0.16 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2qrg s ILE 605 CO 0.01 0.35 0.18 -0.83 0.00 0.00 0.00 174.94 174.65 2qrg s GLY 606 N 0.50 0.05 0.00 6.18 0.00 -0.83 -0.40 107.32 112.83 2qrg s GLY 606 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2qrg s GLY 606 CO 0.03 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.23 2qrg n GLY 607 N 0.64 3.74 3.87 0.20 0.00 -1.25 -2.23 105.19 110.16 2qrg n GLY 607 Ca -0.19 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 2qrg n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qrg s LYS 608 N -2.46 3.76 -0.12 1.61 1.02 -1.26 -4.64 119.74 117.65 2qrg s LYS 608 Ca 0.00 0.16 -0.06 0.00 0.02 0.00 0.00 55.97 56.09 2qrg s LYS 608 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2qrg s LYS 608 CO 0.00 0.50 0.10 0.00 -0.92 0.00 0.00 175.35 175.03 2qrg s ALA 609 N -1.51 3.68 0.27 5.17 0.00 -1.26 -1.40 121.76 126.70 2qrg s ALA 609 Ca 0.37 -0.69 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 2qrg s ALA 609 Cb -0.13 -1.84 -0.13 0.00 0.00 0.00 0.00 23.12 21.02 2qrg s ALA 609 CO 0.20 0.57 1.50 0.00 0.00 0.00 0.00 175.76 178.03 2qrg n ALA 610 N 2.16 1.81 -0.03 0.00 0.00 -1.26 -4.87 120.51 118.31 2qrg n ALA 610 Ca -0.19 0.39 0.19 0.00 0.00 0.00 0.00 53.44 53.83 2qrg n ALA 610 Cb 0.54 -2.37 0.65 0.00 0.00 0.00 0.00 19.45 18.28 2qrg n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qrg h PRO 611 N 4.49 0.09 -0.64 0.00 0.11 -1.99 -1.23 132.00 132.84 2qrg h PRO 611 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qrg h PRO 611 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qrg h PRO 611 CO 0.77 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2qrg n GLY 612 N -1.61 2.02 3.33 -0.55 0.00 -1.26 -4.80 105.19 102.31 2qrg n GLY 612 Ca 0.10 -0.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.96 2qrg n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qrg s TYR 613 N -1.18 3.77 0.13 1.61 6.04 -0.47 -4.94 117.35 122.32 2qrg s TYR 613 Ca 0.43 -2.01 -0.21 0.00 0.04 0.00 0.00 57.07 55.32 2qrg s TYR 613 Cb 0.23 -3.83 -0.02 0.00 -1.04 0.00 0.00 41.96 37.30 2qrg s TYR 613 CO 0.29 -0.99 1.68 1.25 -1.54 0.00 0.00 175.55 176.24 2qrg h HIS 614 N 7.76 -0.26 -0.90 4.97 -0.00 -1.87 -2.25 115.15 122.60 2qrg h HIS 614 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2qrg h HIS 614 Cb 1.04 0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 28.54 2qrg h HIS 614 CO 1.04 -0.16 0.57 1.98 -0.00 0.00 0.00 177.93 181.35 2qrg h MET 615 N -0.11 1.20 -0.84 5.26 1.85 -1.98 -0.79 114.93 119.52 2qrg h MET 615 Ca 0.09 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2qrg h MET 615 Cb 0.25 -0.26 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 2qrg h MET 615 CO -0.22 0.82 0.49 0.00 -0.40 0.00 0.00 176.91 177.60 2qrg h ALA 616 N 1.31 1.28 -0.18 0.39 0.00 -1.82 -0.57 119.26 119.67 2qrg h ALA 616 Ca 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2qrg h ALA 616 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2qrg h ALA 616 CO -0.07 0.60 -0.38 0.87 0.00 0.00 0.00 179.25 180.28 2qrg h LYS 617 N 1.16 0.40 -0.44 0.00 1.57 -0.77 -2.74 116.57 115.74 2qrg h LYS 617 Ca 0.30 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2qrg h LYS 617 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2qrg h LYS 617 CO -0.05 0.72 -0.12 0.52 -0.57 0.00 0.00 179.45 179.95 2qrg h MET 618 N 0.33 0.81 -0.72 3.15 2.86 -0.50 -2.65 114.93 118.21 2qrg h MET 618 Ca 0.03 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2qrg h MET 618 Cb 0.82 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2qrg h MET 618 CO 0.07 0.89 0.31 0.82 1.06 0.00 0.00 176.91 180.05 2qrg h ILE 619 N 0.73 1.24 -0.17 -1.22 2.04 -0.96 -0.95 117.51 118.22 2qrg h ILE 619 Ca 0.12 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2qrg h ILE 619 Cb 0.61 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2qrg h ILE 619 CO 0.04 0.30 0.11 0.40 0.00 0.00 0.00 178.15 179.00 2qrg h ILE 620 N 1.02 1.03 -0.93 -0.67 2.04 -1.38 -1.41 117.51 117.22 2qrg h ILE 620 Ca 0.24 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.07 2qrg h ILE 620 Cb 0.17 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2qrg h ILE 620 CO -0.02 0.04 0.60 0.50 0.00 0.00 0.00 178.15 179.26 2qrg h LYS 621 N 0.22 1.09 -0.38 2.37 1.63 -1.23 -2.10 116.57 118.18 2qrg h LYS 621 Ca 0.06 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2qrg h LYS 621 Cb -0.02 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 2qrg h LYS 621 CO -0.02 0.72 0.23 1.25 -3.45 0.00 0.00 179.45 178.18 2qrg h LEU 622 N 1.13 0.38 -0.34 5.20 6.46 -0.77 -0.16 115.31 127.20 2qrg h LEU 622 Ca 0.38 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.15 2qrg h LEU 622 Cb 0.07 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2qrg h LEU 622 CO -0.14 0.27 0.21 0.40 -0.62 0.00 0.00 178.44 178.56 2qrg h ILE 623 N 0.47 1.06 -0.32 4.05 2.04 -0.74 0.16 117.51 124.22 2qrg h ILE 623 Ca 0.15 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2qrg h ILE 623 Cb -0.01 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2qrg h ILE 623 CO -0.06 0.08 -0.22 0.71 0.00 0.00 0.00 178.15 178.66 2qrg h THR 624 N 0.43 1.26 -0.66 -0.27 1.35 -1.27 -1.94 112.91 111.81 2qrg h THR 624 Ca 0.13 -1.27 -0.08 0.00 -0.55 0.00 0.00 66.41 64.65 2qrg h THR 624 Cb -0.02 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 2qrg h THR 624 CO -0.05 0.41 0.11 0.00 -0.25 0.00 0.00 175.52 175.74 2qrg h ALA 625 N 1.22 0.93 -0.24 6.62 0.00 -0.54 -0.47 119.26 126.79 2qrg h ALA 625 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2qrg h ALA 625 Cb 0.67 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qrg h ALA 625 CO 0.05 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.88 2qrg h ILE 626 N 1.03 1.17 -0.96 0.00 2.04 -0.81 -2.88 117.51 117.09 2qrg h ILE 626 Ca 0.20 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.63 2qrg h ILE 626 Cb 0.44 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2qrg h ILE 626 CO 0.01 0.17 0.61 1.23 0.00 0.00 0.00 178.15 180.17 2qrg h GLY 627 N 0.23 1.50 1.12 5.37 0.00 -1.12 0.68 103.07 110.85 2qrg h GLY 627 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.00 2qrg h GLY 627 CO -0.01 0.26 0.55 -0.55 0.00 0.00 0.00 176.54 176.79 2qrg h ASP 628 N 1.06 0.92 0.03 0.19 3.45 -0.92 0.12 116.42 121.27 2qrg h ASP 628 Ca 0.44 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 2qrg h ASP 628 Cb 0.27 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2qrg h ASP 628 CO -0.20 0.65 -0.02 0.58 -1.57 0.00 0.00 179.24 178.68 2qrg h VAL 629 N 1.08 1.12 -0.47 -1.35 2.07 -1.20 -3.36 116.25 114.14 2qrg h VAL 629 Ca 0.32 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 2qrg h VAL 629 Cb -0.05 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2qrg h VAL 629 CO -0.08 0.36 0.11 0.58 0.02 0.00 0.00 177.57 178.56 2qrg h VAL 630 N -0.95 1.24 0.00 2.57 2.07 -0.83 -3.00 116.25 117.34 2qrg h VAL 630 Ca -0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2qrg h VAL 630 Cb 0.62 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2qrg h VAL 630 CO 0.01 0.30 0.00 0.59 0.02 0.00 0.00 177.57 178.48 2qrg n ASN 631 N -4.49 0.58 -0.22 0.57 3.02 0.02 -3.12 115.26 111.62 2qrg n ASN 631 Ca 0.01 0.61 0.02 0.00 -0.03 0.00 0.00 54.58 55.19 2qrg n ASN 631 Cb 0.22 -0.75 0.04 0.00 -0.61 0.00 0.00 39.78 38.68 2qrg n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qrg n HIS 632 N -2.11 0.09 -2.76 3.10 8.25 -1.18 -4.96 115.22 115.67 2qrg n HIS 632 Ca 0.03 -0.24 -0.43 0.00 -0.26 0.00 0.00 57.72 56.82 2qrg n HIS 632 Cb 0.27 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2qrg n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qrg s ASP 633 N -0.68 6.79 0.47 0.41 -1.08 -1.14 -4.93 116.67 116.50 2qrg s ASP 633 Ca 0.07 0.81 0.17 0.00 -0.52 0.00 0.00 52.55 53.08 2qrg s ASP 633 Cb 0.04 -2.49 1.12 0.00 -1.46 0.00 0.00 42.92 40.14 2qrg s ASP 633 CO 0.06 -0.82 2.03 -0.65 0.52 0.00 0.00 175.17 176.31 2qrg h PRO 634 N 8.24 0.00 -0.24 4.34 0.11 -1.93 -2.46 132.00 140.07 2qrg h PRO 634 Ca -0.22 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 2qrg h PRO 634 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2qrg h PRO 634 CO 0.99 0.14 -0.31 0.28 -0.21 0.00 0.00 178.00 178.89 2qrg h VAL 635 N 0.00 1.28 -0.24 3.15 2.07 -1.97 -3.10 116.25 117.44 2qrg h VAL 635 Ca -0.00 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 2qrg h VAL 635 Cb 0.27 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2qrg h VAL 635 CO 0.02 0.44 -0.13 0.58 0.02 0.00 0.00 177.57 178.50 2qrg h VAL 636 N 0.43 1.30 0.00 2.57 2.07 -1.78 -3.49 116.25 117.35 2qrg h VAL 636 Ca 0.05 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2qrg h VAL 636 Cb 0.75 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2qrg h VAL 636 CO 0.06 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2qrg n GLY 637 N -0.00 2.35 1.47 2.17 0.00 -1.17 -2.70 105.19 107.31 2qrg n GLY 637 Ca -0.04 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2qrg n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qrg n ASP 638 N 4.06 4.34 0.10 1.61 5.75 -1.26 -4.36 116.55 126.79 2qrg n ASP 638 Ca 0.00 -2.50 0.01 0.00 -0.01 0.00 0.00 54.79 52.29 2qrg n ASP 638 Cb 0.00 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.50 2qrg n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2qrg h ARG 639 N 3.40 0.00 -2.87 0.11 3.08 -1.85 -3.44 114.38 112.82 2qrg h ARG 639 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2qrg h ARG 639 Cb 1.41 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.15 2qrg h ARG 639 CO 0.26 0.49 -0.48 -1.17 -1.07 0.00 0.00 179.97 178.00 2qrg s LEU 640 N -6.28 -0.07 -0.03 3.04 2.96 -1.26 -1.49 118.68 115.56 2qrg s LEU 640 Ca 0.02 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.59 2qrg s LEU 640 Cb 0.08 0.83 -0.00 0.00 0.50 0.00 0.00 46.19 47.60 2qrg s LEU 640 CO 0.77 -0.21 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.34 2qrg s ARG 641 N 1.95 1.29 -0.20 1.98 1.81 -0.86 -4.69 118.95 120.24 2qrg s ARG 641 Ca -0.04 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 2qrg s ARG 641 Cb -0.11 -1.17 0.02 0.00 -0.45 0.00 0.00 34.95 33.24 2qrg s ARG 641 CO -0.09 0.18 -0.17 0.08 -0.68 0.00 0.00 175.30 174.62 2qrg s VAL 642 N 0.08 2.21 -0.06 3.52 1.01 -1.26 -0.21 120.40 125.69 2qrg s VAL 642 Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2qrg s VAL 642 Cb -0.09 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2qrg s VAL 642 CO 0.01 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 2qrg s ILE 643 N 1.28 1.42 -0.30 2.22 1.09 -0.12 -4.59 121.20 122.19 2qrg s ILE 643 Ca 0.03 -0.67 -0.18 0.00 -1.10 0.00 0.00 60.65 58.74 2qrg s ILE 643 Cb -0.14 -1.25 -0.02 0.00 -1.06 0.00 0.00 42.46 39.99 2qrg s ILE 643 CO -0.11 0.41 0.49 0.12 -0.10 0.00 0.00 174.94 175.76 2qrg s PHE 644 N 0.39 3.22 -0.54 3.97 2.19 -1.26 -1.54 117.98 124.41 2qrg s PHE 644 Ca -0.12 0.39 -0.28 0.00 0.33 0.00 0.00 56.93 57.25 2qrg s PHE 644 Cb -0.15 -2.79 0.02 0.00 -1.31 0.00 0.00 43.02 38.79 2qrg s PHE 644 CO 0.04 -0.39 1.29 -0.51 1.83 0.00 0.00 175.22 177.47 2qrg s LEU 645 N 2.32 3.47 0.31 6.12 1.02 0.46 -4.96 118.68 127.41 2qrg s LEU 645 Ca 0.19 0.29 -0.29 0.00 0.02 0.00 0.00 54.13 54.34 2qrg s LEU 645 Cb -0.16 -3.21 -0.10 0.00 0.02 0.00 0.00 46.19 42.74 2qrg s LEU 645 CO 0.11 -1.53 1.19 -0.70 0.02 0.00 0.00 176.35 175.44 2qrg s GLU 646 N 5.08 4.47 -1.29 1.70 2.12 -1.26 -3.99 118.70 125.54 2qrg s GLU 646 Ca 0.49 1.97 -0.04 0.00 0.36 0.00 0.00 54.97 57.75 2qrg s GLU 646 Cb -0.09 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2qrg s GLU 646 CO 0.27 0.01 1.02 -1.71 -0.54 0.00 0.00 175.26 174.31 2qrg n ASN 647 N 0.93 -3.51 -4.69 -1.70 5.15 -1.25 -4.92 115.26 105.28 2qrg n ASN 647 Ca -0.00 -0.63 -0.44 0.00 -0.60 0.00 0.00 54.58 52.91 2qrg n ASN 647 Cb 0.44 -4.90 -0.04 0.00 -0.53 0.00 0.00 39.78 34.75 2qrg n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qrg n TYR 648 N -4.47 2.47 -3.83 1.20 9.36 -1.26 -4.86 117.16 115.78 2qrg n TYR 648 Ca -0.17 0.14 -0.07 0.00 3.32 0.00 0.00 57.90 61.11 2qrg n TYR 648 Cb 0.63 -2.61 0.01 0.00 -0.63 0.00 0.00 39.34 36.74 2qrg n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2qrg s ARG 649 N 1.35 1.98 0.16 2.98 1.70 -1.26 -4.73 118.95 121.13 2qrg s ARG 649 Ca 0.79 -1.23 -0.15 0.00 -0.47 0.00 0.00 55.73 54.67 2qrg s ARG 649 Cb -0.60 0.58 0.08 0.00 -0.57 0.00 0.00 34.95 34.45 2qrg s ARG 649 CO 0.37 -0.92 1.77 0.28 -1.08 0.00 0.00 175.30 175.71 2qrg h VAL 650 N 2.00 0.93 -0.56 4.99 2.07 -1.97 -0.56 116.25 123.16 2qrg h VAL 650 Ca -0.28 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2qrg h VAL 650 Cb 1.25 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2qrg h VAL 650 CO 0.35 0.07 0.33 0.77 0.02 0.00 0.00 177.57 179.11 2qrg h SER 651 N 0.37 0.66 0.15 0.57 4.64 -1.97 -1.81 113.55 116.16 2qrg h SER 651 Ca 0.18 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.26 2qrg h SER 651 Cb 0.13 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2qrg h SER 651 CO -0.15 0.52 -0.79 0.25 -0.87 0.00 0.00 176.83 175.79 2qrg h LEU 652 N 0.77 0.63 -0.91 5.97 5.85 -1.73 -3.14 115.31 122.75 2qrg h LEU 652 Ca 0.20 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2qrg h LEU 652 Cb -0.02 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 2qrg h LEU 652 CO -0.04 1.20 0.57 0.00 -0.34 0.00 0.00 178.44 179.83 2qrg h ALA 653 N 0.78 1.28 0.00 1.25 0.00 -0.46 -0.53 119.26 121.58 2qrg h ALA 653 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qrg h ALA 653 Cb 1.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qrg h ALA 653 CO 0.14 0.29 -0.04 0.93 0.00 0.00 0.00 179.25 180.57 2qrg h GLU 654 N 1.01 0.00 0.03 0.00 5.08 -1.31 -1.68 114.58 117.71 2qrg h GLU 654 Ca 0.41 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.49 2qrg h GLU 654 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2qrg h GLU 654 CO -0.19 0.04 -1.53 1.63 -1.00 0.00 0.00 179.01 177.96 2qrg n LYS 655 N -3.47 0.62 0.11 2.33 5.02 -0.48 -4.52 118.16 117.77 2qrg n LYS 655 Ca -0.02 0.48 -0.19 0.00 -2.02 0.00 0.00 58.31 56.56 2qrg n LYS 655 Cb 0.16 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.32 2qrg n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2qrg h VAL 656 N -0.73 1.42 -0.12 -0.18 3.04 -1.08 -3.34 116.25 115.25 2qrg h VAL 656 Ca -0.39 -2.87 0.01 0.00 -1.01 0.00 0.00 66.70 62.44 2qrg h VAL 656 Cb 1.51 2.91 -0.01 0.00 -2.01 0.00 0.00 31.29 33.69 2qrg h VAL 656 CO -0.15 0.85 0.05 0.40 -1.01 0.00 0.00 177.57 177.71 2qrg h ILE 657 N 0.12 0.99 0.00 3.17 2.04 -1.54 -1.25 117.51 121.05 2qrg h ILE 657 Ca -0.17 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2qrg h ILE 657 Cb 1.99 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2qrg h ILE 657 CO 0.22 0.02 -0.00 -0.65 0.00 0.00 0.00 178.15 177.75 2qrg h PRO 658 N 0.12 0.00 -0.00 2.37 0.11 -1.79 -2.21 132.00 130.60 2qrg h PRO 658 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2qrg h PRO 658 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2qrg h PRO 658 CO -0.04 0.00 -0.44 0.00 -0.21 0.00 0.00 178.00 177.31 2qrg n ALA 659 N -2.08 3.44 -1.79 -0.75 0.00 -0.51 -4.75 120.51 114.07 2qrg n ALA 659 Ca -0.03 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 2qrg n ALA 659 Cb 0.08 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2qrg n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrg s ALA 660 N -2.91 3.26 -0.24 0.00 0.00 -0.83 -4.61 121.76 116.43 2qrg s ALA 660 Ca 0.14 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2qrg s ALA 660 Cb 0.18 -3.17 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 2qrg s ALA 660 CO 0.66 0.19 -0.13 -0.25 0.00 0.00 0.00 175.76 176.24 2qrg n ASP 661 N 0.86 2.00 -4.03 0.00 8.00 -0.58 -4.11 116.55 118.69 2qrg n ASP 661 Ca 0.00 -0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.18 2qrg n ASP 661 Cb 0.49 -0.52 -0.17 0.00 -0.02 0.00 0.00 41.12 40.90 2qrg n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qrg s LEU 662 N -6.69 1.64 -0.26 0.64 0.20 -0.50 -0.95 118.68 112.76 2qrg s LEU 662 Ca -0.33 -0.40 -0.11 0.00 0.69 0.00 0.00 54.13 53.99 2qrg s LEU 662 Cb 0.09 -1.03 -0.05 0.00 -0.43 0.00 0.00 46.19 44.77 2qrg s LEU 662 CO 0.62 -0.00 0.17 -0.55 -0.29 0.00 0.00 176.35 176.30 2qrg s SER 663 N 1.07 5.98 -0.39 3.68 0.15 0.46 -1.37 113.70 123.28 2qrg s SER 663 Ca -0.05 0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.43 2qrg s SER 663 Cb -0.15 -2.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2qrg s SER 663 CO -0.02 -0.01 0.51 -1.61 1.20 0.00 0.00 173.24 173.31 2qrg s GLU 664 N 1.50 3.38 -0.54 5.44 0.41 -0.78 -1.37 118.70 126.75 2qrg s GLU 664 Ca 0.07 -0.41 0.05 0.00 -0.41 0.00 0.00 54.97 54.27 2qrg s GLU 664 Cb -0.15 -3.89 0.20 0.00 -1.78 0.00 0.00 34.13 28.51 2qrg s GLU 664 CO 0.08 -0.78 0.50 1.04 -0.49 0.00 0.00 175.26 175.60 2qrg n GLN 665 N 5.80 1.20 -0.58 1.61 1.13 -0.53 -4.79 117.38 121.21 2qrg n GLN 665 Ca -0.05 -3.85 0.06 0.00 -1.94 0.00 0.00 57.00 51.22 2qrg n GLN 665 Cb 0.48 -1.87 0.19 0.00 0.11 0.00 0.00 30.24 29.15 2qrg n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2qrg n ILE 666 N 1.94 2.07 -1.76 5.09 -5.35 -1.26 -2.44 119.36 117.65 2qrg n ILE 666 Ca 0.25 -3.04 -0.36 0.00 -0.27 0.00 0.00 62.75 59.33 2qrg n ILE 666 Cb 0.44 -0.18 0.06 0.00 -1.74 0.00 0.00 39.64 38.22 2qrg n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2qrg s SER 667 N -3.14 4.67 0.23 7.28 1.04 -1.26 -4.66 113.70 117.87 2qrg s SER 667 Ca 0.37 2.54 -0.31 0.00 0.48 0.00 0.00 55.95 59.03 2qrg s SER 667 Cb 0.36 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 2qrg s SER 667 CO -0.06 -1.95 1.65 -0.89 0.98 0.00 0.00 173.24 172.96 2qrg s THR 668 N -1.51 2.16 0.01 2.02 2.01 -1.17 -4.68 115.64 114.49 2qrg s THR 668 Ca 0.81 0.12 -0.37 0.00 0.31 0.00 0.00 61.69 62.55 2qrg s THR 668 Cb -0.35 -3.08 -0.16 0.00 0.01 0.00 0.00 72.50 68.93 2qrg s THR 668 CO 0.39 0.01 1.48 0.00 -0.69 0.00 0.00 174.62 175.81 2qrg n ALA 669 N 3.37 -0.44 -0.16 7.40 0.00 -1.26 -1.88 120.51 127.55 2qrg n ALA 669 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2qrg n ALA 669 Cb 0.37 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2qrg n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qrg n GLY 670 N 3.06 0.70 0.05 0.00 0.00 -1.26 -4.70 105.19 103.04 2qrg n GLY 670 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 2qrg n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qrg n THR 671 N -2.06 0.63 -2.97 2.61 -2.24 -0.79 -4.88 114.28 104.58 2qrg n THR 671 Ca 0.00 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2qrg n THR 671 Cb 0.00 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 2qrg n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qrg s GLU 672 N -2.22 3.28 0.19 -0.78 2.56 -1.26 -4.79 118.70 115.68 2qrg s GLU 672 Ca -0.10 -0.43 -0.13 0.00 0.00 0.00 0.00 54.97 54.31 2qrg s GLU 672 Cb 0.03 -4.04 0.21 0.00 2.00 0.00 0.00 34.13 32.34 2qrg s GLU 672 CO 0.31 -1.31 1.69 0.00 -0.56 0.00 0.00 175.26 175.39 2qrg h ALA 673 N 9.13 0.53 0.00 6.30 0.00 -1.90 -2.82 119.26 130.50 2qrg h ALA 673 Ca -0.26 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qrg h ALA 673 Cb 1.08 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qrg h ALA 673 CO 1.01 -0.36 -0.01 0.45 0.00 0.00 0.00 179.25 180.35 2qrg n SER 674 N -5.20 -0.09 0.00 0.00 2.88 -1.26 -4.21 113.62 105.74 2qrg n SER 674 Ca 0.06 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2qrg n SER 674 Cb 0.28 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2qrg n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qrg n GLY 675 N 1.64 -2.04 0.00 0.46 0.00 -1.26 -0.94 105.19 103.05 2qrg n GLY 675 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2qrg n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qrg n THR 676 N -0.86 0.00 -0.30 2.61 -2.24 -1.26 -4.74 114.28 107.49 2qrg n THR 676 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2qrg n THR 676 Cb 0.00 -0.14 0.19 0.00 -2.10 0.00 0.00 70.33 68.28 2qrg n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qrg h GLY 677 N 0.00 1.35 -0.17 3.38 0.00 -1.95 -2.04 103.07 103.64 2qrg h GLY 677 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 47.33 47.19 2qrg h GLY 677 CO 0.00 0.12 0.25 3.45 0.00 0.00 0.00 176.54 180.36 2qrg h ASN 678 N 0.81 0.10 0.00 0.19 -0.00 -1.94 -2.07 115.58 112.67 2qrg h ASN 678 Ca 0.42 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.88 2qrg h ASN 678 Cb 0.41 0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.92 2qrg h ASN 678 CO -0.26 -0.04 0.00 0.23 -0.00 0.00 0.00 177.43 177.36 2qrg n MET 679 N -5.13 0.47 0.00 4.14 2.81 -0.77 -2.31 117.12 116.33 2qrg n MET 679 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2qrg n MET 679 Cb 0.55 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2qrg n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qrg n PHE 681 N 0.79 0.00 -0.31 2.03 3.72 -0.78 -1.95 117.46 120.96 2qrg n PHE 681 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2qrg n PHE 681 Cb 0.23 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 2qrg n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2qrg h MET 682 N 0.00 1.18 0.00 -1.08 4.05 -1.67 -2.37 114.93 115.04 2qrg h MET 682 Ca 0.00 -0.14 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 2qrg h MET 682 Cb 0.00 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 2qrg h MET 682 CO 0.00 0.87 -0.27 1.25 0.23 0.00 0.00 176.91 178.99 2qrg h LEU 683 N 1.18 0.00 -3.11 3.39 5.85 -1.69 -3.25 115.31 117.69 2qrg h LEU 683 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2qrg h LEU 683 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2qrg h LEU 683 CO -0.05 0.27 0.00 0.59 -0.34 0.00 0.00 178.44 178.92 2qrg n ASN 684 N -3.66 4.28 0.00 1.25 3.02 -1.02 -4.91 115.26 114.23 2qrg n ASN 684 Ca -0.01 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 2qrg n ASN 684 Cb 0.39 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2qrg n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qrg n GLY 685 N 0.77 0.78 3.80 7.41 0.00 -1.14 -4.78 105.19 112.02 2qrg n GLY 685 Ca 0.23 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2qrg n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrg s ALA 686 N -2.00 3.63 0.44 4.61 0.00 -0.93 -4.81 121.76 122.70 2qrg s ALA 686 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 2qrg s ALA 686 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 2qrg s ALA 686 CO 0.00 0.73 0.78 -0.51 0.00 0.00 0.00 175.76 176.76 2qrg s LEU 687 N -2.04 3.73 -0.15 0.00 1.43 -0.12 -4.42 118.68 117.12 2qrg s LEU 687 Ca 0.26 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2qrg s LEU 687 Cb -0.12 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 2qrg s LEU 687 CO 0.18 -0.49 -0.12 -0.89 0.23 0.00 0.00 176.35 175.26 2qrg s THR 688 N -2.55 3.00 -0.27 5.49 2.01 -1.26 -0.40 115.64 121.66 2qrg s THR 688 Ca 0.50 -0.66 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 2qrg s THR 688 Cb -0.10 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2qrg s THR 688 CO 0.38 0.51 0.13 -0.51 -0.69 0.00 0.00 174.62 174.44 2qrg s ILE 689 N 0.63 4.84 0.17 1.82 2.07 -0.47 -1.35 121.20 128.90 2qrg s ILE 689 Ca -0.07 0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 58.96 2qrg s ILE 689 Cb -0.15 -3.29 0.06 0.00 0.13 0.00 0.00 42.46 39.20 2qrg s ILE 689 CO 0.03 0.29 0.59 -0.83 -1.91 0.00 0.00 174.94 173.10 2qrg s GLY 690 N 1.69 -0.51 0.60 1.50 0.00 -0.47 -1.46 107.32 108.67 2qrg s GLY 690 Ca 0.07 0.33 -0.07 0.00 0.00 0.00 0.00 44.72 45.05 2qrg s GLY 690 CO 0.08 0.07 0.93 -0.51 0.00 0.00 0.00 173.10 173.67 2qrg s THR 691 N -3.78 3.87 -1.39 0.90 -4.23 -1.02 -2.33 115.64 107.67 2qrg s THR 691 Ca 0.02 0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.56 2qrg s THR 691 Cb -0.01 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.33 2qrg s THR 691 CO -0.11 -0.60 2.04 0.23 -0.54 0.00 0.00 174.62 175.64 2qrg n MET 692 N -2.63 2.96 -4.16 3.99 2.81 -1.26 -4.67 117.12 114.16 2qrg n MET 692 Ca 0.05 -2.85 -0.16 0.00 -1.81 0.00 0.00 57.70 52.93 2qrg n MET 692 Cb 0.57 -3.37 -0.12 0.00 -0.71 0.00 0.00 33.22 29.59 2qrg n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2qrg s ASP 693 N 3.63 1.18 0.66 7.83 3.68 -1.26 -4.66 116.67 127.74 2qrg s ASP 693 Ca 0.50 -0.49 0.00 0.00 2.13 0.00 0.00 52.55 54.68 2qrg s ASP 693 Cb 0.10 -0.02 0.00 0.00 -1.45 0.00 0.00 42.92 41.55 2qrg s ASP 693 CO -0.02 -0.10 0.00 0.61 0.13 0.00 0.00 175.17 175.79 2qrg n GLY 694 N 1.68 2.45 0.01 2.66 0.00 -1.07 -1.44 105.19 109.48 2qrg n GLY 694 Ca -0.20 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2qrg n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrg n ALA 695 N 7.84 1.98 -0.32 4.61 0.00 -0.12 -3.25 120.51 131.26 2qrg n ALA 695 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2qrg n ALA 695 Cb 0.00 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.37 2qrg n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qrg h ASN 696 N 0.00 0.64 -0.43 0.00 4.21 -1.45 0.01 115.58 118.57 2qrg h ASN 696 Ca 0.00 0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.66 2qrg h ASN 696 Cb 0.39 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 2qrg h ASN 696 CO 0.00 0.24 0.14 0.58 -1.29 0.00 0.00 177.43 177.10 2qrg h VAL 697 N 0.68 0.85 -0.03 2.81 2.07 -1.64 -0.96 116.25 120.02 2qrg h VAL 697 Ca 0.52 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.75 2qrg h VAL 697 Cb 0.79 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2qrg h VAL 697 CO -0.38 0.06 -0.78 -0.33 0.02 0.00 0.00 177.57 176.15 2qrg h GLU 698 N 0.30 0.28 -0.40 1.57 5.08 -1.51 -1.89 114.58 118.01 2qrg h GLU 698 Ca 0.20 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2qrg h GLU 698 Cb 0.21 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2qrg h GLU 698 CO -0.22 0.93 0.22 0.52 -1.00 0.00 0.00 179.01 179.46 2qrg h MET 699 N 0.18 0.55 -0.63 2.33 2.86 -0.75 -0.39 114.93 119.08 2qrg h MET 699 Ca -0.04 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2qrg h MET 699 Cb 1.37 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 2qrg h MET 699 CO 0.12 0.44 0.11 0.00 1.06 0.00 0.00 176.91 178.64 2qrg h ALA 700 N 1.08 0.99 -0.70 6.32 0.00 -1.13 -1.10 119.26 124.72 2qrg h ALA 700 Ca 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qrg h ALA 700 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qrg h ALA 700 CO -0.02 0.64 0.43 1.49 0.00 0.00 0.00 179.25 181.78 2qrg h GLU 701 N 0.97 0.94 -0.15 0.00 4.81 -1.09 0.23 114.58 120.29 2qrg h GLU 701 Ca 0.20 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2qrg h GLU 701 Cb 0.41 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2qrg h GLU 701 CO 0.01 0.66 -0.11 0.93 -0.73 0.00 0.00 179.01 179.77 2qrg h GLU 702 N 0.95 0.34 0.00 1.92 4.39 -0.81 -3.29 114.58 118.08 2qrg h GLU 702 Ca 0.25 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2qrg h GLU 702 Cb -0.04 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2qrg h GLU 702 CO -0.05 0.70 -0.30 0.00 -1.16 0.00 0.00 179.01 178.20 2qrg h ALA 703 N 0.64 0.85 0.00 3.43 0.00 -1.17 -3.47 119.26 119.53 2qrg h ALA 703 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qrg h ALA 703 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qrg h ALA 703 CO 0.03 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2qrg n GLY 704 N 1.15 0.22 0.29 0.00 0.00 0.80 -4.61 105.19 103.04 2qrg n GLY 704 Ca 0.02 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2qrg n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qrg h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.86 -0.65 114.58 118.76 2qrg h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qrg h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qrg h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2qrg h GLU 706 N 0.00 0.00 -0.41 2.33 3.07 -1.90 -2.72 114.58 114.95 2qrg h GLU 706 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2qrg h GLU 706 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2qrg h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2qrg n ASN 707 N -2.80 3.95 -4.08 1.42 3.02 -0.25 -4.94 115.26 111.58 2qrg n ASN 707 Ca -0.00 -2.55 -0.18 0.00 -0.03 0.00 0.00 54.58 51.82 2qrg n ASN 707 Cb 0.18 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 2qrg n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2qrg s PHE 708 N -2.01 0.93 -1.00 3.10 5.36 -1.03 -4.80 117.98 118.52 2qrg s PHE 708 Ca 0.40 -0.32 -0.13 0.00 -0.96 0.00 0.00 56.93 55.92 2qrg s PHE 708 Cb 0.28 -0.56 0.22 0.00 -0.34 0.00 0.00 43.02 42.62 2qrg s PHE 708 CO 0.16 -0.01 1.04 -0.06 -1.46 0.00 0.00 175.22 174.89 2qrg s PHE 709 N -0.79 3.82 -0.06 10.12 0.08 -0.46 -4.94 117.98 125.75 2qrg s PHE 709 Ca -0.01 -2.18 -0.16 0.00 0.12 0.00 0.00 56.93 54.70 2qrg s PHE 709 Cb -0.07 -3.97 -0.05 0.00 -0.57 0.00 0.00 43.02 38.36 2qrg s PHE 709 CO 0.01 -1.11 0.42 0.42 -0.10 0.00 0.00 175.22 174.86 2qrg s ILE 710 N 0.22 5.11 0.16 0.64 1.01 -1.26 -1.37 121.20 125.70 2qrg s ILE 710 Ca 0.28 0.86 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 2qrg s ILE 710 Cb -0.08 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2qrg s ILE 710 CO -0.07 0.46 0.24 0.72 0.00 0.00 0.00 174.94 176.29 2qrg s PHE 711 N -0.28 0.48 0.00 3.97 -0.71 -0.98 -4.97 117.98 115.48 2qrg s PHE 711 Ca 0.24 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 2qrg s PHE 711 Cb -0.16 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.52 2qrg s PHE 711 CO 0.11 -0.68 0.00 0.41 -1.34 0.00 0.00 175.22 173.72 2qrg n GLY 712 N -0.19 -2.84 3.78 1.99 0.00 -1.26 -4.28 105.19 102.38 2qrg n GLY 712 Ca -0.07 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2qrg n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qrg s MET 713 N -0.79 4.21 0.72 1.61 -1.94 -1.26 -4.91 119.30 116.93 2qrg s MET 713 Ca 0.00 2.43 -0.06 0.00 -1.71 0.00 0.00 55.69 56.35 2qrg s MET 713 Cb 0.00 -3.01 0.07 0.00 2.01 0.00 0.00 34.83 33.91 2qrg s MET 713 CO 0.00 -0.40 1.02 1.03 -0.01 0.00 0.00 175.02 176.67 2qrg s ARG 714 N -1.97 2.06 0.27 2.03 1.81 -1.26 -4.49 118.95 117.40 2qrg s ARG 714 Ca 0.51 -0.36 -0.00 0.00 -1.72 0.00 0.00 55.73 54.16 2qrg s ARG 714 Cb -0.44 -2.18 0.54 0.00 -0.45 0.00 0.00 34.95 32.42 2qrg s ARG 714 CO 0.59 -1.31 1.78 0.28 -0.68 0.00 0.00 175.30 175.96 2qrg h VAL 715 N -0.63 0.79 -0.65 3.52 2.07 -1.84 -1.40 116.25 118.11 2qrg h VAL 715 Ca -0.44 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2qrg h VAL 715 Cb 1.31 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2qrg h VAL 715 CO 0.57 0.13 0.28 -0.33 0.02 0.00 0.00 177.57 178.24 2qrg h GLU 716 N 0.73 0.93 -0.35 1.57 3.07 -1.95 -1.52 114.58 117.06 2qrg h GLU 716 Ca 0.47 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 59.08 2qrg h GLU 716 Cb 0.61 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2qrg h GLU 716 CO -0.33 0.74 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.33 2qrg h ASP 717 N 0.92 0.70 -0.43 1.42 3.45 -1.65 -1.60 116.42 119.24 2qrg h ASP 717 Ca 0.22 -0.26 -0.05 0.00 0.43 0.00 0.00 57.03 57.37 2qrg h ASP 717 Cb 0.14 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 2qrg h ASP 717 CO -0.02 0.93 0.06 0.58 -1.57 0.00 0.00 179.24 179.22 2qrg h VAL 718 N 0.60 1.24 -0.60 -1.35 2.07 -0.88 -2.06 116.25 115.28 2qrg h VAL 718 Ca 0.08 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2qrg h VAL 718 Cb 0.74 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2qrg h VAL 718 CO 0.06 0.31 0.37 0.44 0.02 0.00 0.00 177.57 178.77 2qrg h ASP 719 N 0.56 0.62 -0.78 0.57 3.32 -1.14 -1.19 116.42 118.39 2qrg h ASP 719 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2qrg h ASP 719 Cb 0.38 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2qrg h ASP 719 CO 0.01 0.44 0.49 0.03 -1.72 0.00 0.00 179.24 178.49 2qrg h ARG 720 N 0.74 1.04 -0.41 3.56 3.08 -1.18 -1.84 114.38 119.38 2qrg h ARG 720 Ca 0.23 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 2qrg h ARG 720 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2qrg h ARG 720 CO -0.08 0.71 -0.21 1.25 -1.07 0.00 0.00 179.97 180.57 2qrg h LEU 721 N 1.06 0.82 -0.79 3.04 6.46 -1.03 -2.35 115.31 122.53 2qrg h LEU 721 Ca 0.28 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2qrg h LEU 721 Cb -0.08 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.61 2qrg h LEU 721 CO -0.06 1.01 -0.03 0.44 -0.62 0.00 0.00 178.44 179.18 2qrg h ASP 722 N 0.70 0.86 -0.52 1.25 3.32 -0.98 0.35 116.42 121.41 2qrg h ASP 722 Ca 0.10 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 2qrg h ASP 722 Cb 0.73 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2qrg h ASP 722 CO 0.06 0.94 -0.03 1.56 -1.72 0.00 0.00 179.24 180.05 2qrg h GLN 723 N 0.81 0.98 -0.08 3.56 4.20 -1.21 -3.03 115.11 120.34 2qrg h GLN 723 Ca 0.15 -0.31 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 2qrg h GLN 723 Cb 0.53 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2qrg h GLN 723 CO 0.03 0.98 -0.81 -0.09 -0.67 0.00 0.00 178.83 178.27 2qrg h ARG 724 N 0.89 0.53 0.00 1.46 2.43 -1.23 -3.50 114.38 114.96 2qrg h ARG 724 Ca 0.16 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2qrg h ARG 724 Cb 0.57 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2qrg h ARG 724 CO 0.03 1.10 0.00 0.41 -1.51 0.00 0.00 179.97 180.00 2qrg n GLY 725 N 0.71 1.63 3.65 2.80 0.00 0.12 -5.02 105.19 109.08 2qrg n GLY 725 Ca -0.06 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 2qrg n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qrg s TYR 726 N 0.00 3.22 -0.36 1.61 5.04 -1.20 -4.87 117.35 120.78 2qrg s TYR 726 Ca 0.00 1.31 0.01 0.00 -2.44 0.00 0.00 57.07 55.95 2qrg s TYR 726 Cb 0.00 -3.50 0.10 0.00 0.35 0.00 0.00 41.96 38.91 2qrg s TYR 726 CO 0.00 -0.69 0.09 1.21 -1.34 0.00 0.00 175.55 174.82 2qrg s ASN 727 N 1.48 4.92 0.39 4.32 2.47 -1.26 -4.98 114.94 122.29 2qrg s ASN 727 Ca 0.45 -2.01 0.09 0.00 0.42 0.00 0.00 52.86 51.81 2qrg s ASN 727 Cb -0.14 -1.70 0.79 0.00 -1.45 0.00 0.00 41.25 38.76 2qrg s ASN 727 CO 0.11 -0.42 1.93 0.00 -3.72 0.00 0.00 177.10 175.01 2qrg h ALA 728 N 7.79 1.53 -0.95 1.71 0.00 -1.88 -2.76 119.26 124.71 2qrg h ALA 728 Ca -0.09 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.79 2qrg h ALA 728 Cb 1.03 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2qrg h ALA 728 CO 0.58 0.34 0.60 0.37 0.00 0.00 0.00 179.25 181.14 2qrg h GLN 729 N 0.26 0.72 -0.48 0.00 5.75 -1.92 -2.06 115.11 117.39 2qrg h GLN 729 Ca 0.06 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 2qrg h GLN 729 Cb 0.32 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 2qrg h GLN 729 CO 0.02 0.48 0.13 1.49 -2.65 0.00 0.00 178.83 178.30 2qrg h GLU 730 N 0.75 0.27 -0.38 1.69 4.81 -1.91 0.78 114.58 120.58 2qrg h GLU 730 Ca 0.50 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.61 2qrg h GLU 730 Cb 0.77 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2qrg h GLU 730 CO -0.26 0.18 -0.16 1.88 -0.73 0.00 0.00 179.01 179.92 2qrg h TYR 731 N 0.28 0.90 -0.66 0.92 -1.99 -1.54 -2.51 116.97 112.37 2qrg h TYR 731 Ca 0.24 -0.22 0.08 0.00 2.00 0.00 0.00 58.73 60.84 2qrg h TYR 731 Cb 0.29 -0.21 -0.07 0.00 2.00 0.00 0.00 36.73 38.74 2qrg h TYR 731 CO -0.19 0.96 0.32 -0.92 -0.00 0.00 0.00 178.16 178.32 2qrg h TYR 732 N 0.59 0.57 -0.05 4.88 5.03 -1.04 -1.30 116.97 125.65 2qrg h TYR 732 Ca 0.09 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.32 2qrg h TYR 732 Cb 0.71 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 2qrg h TYR 732 CO 0.06 0.21 -0.45 -0.44 -1.32 0.00 0.00 178.16 176.22 2qrg h ASP 733 N 0.56 0.12 -0.00 -2.11 3.32 -0.70 -3.32 116.42 114.29 2qrg h ASP 733 Ca 0.32 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2qrg h ASP 733 Cb 0.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2qrg h ASP 733 CO -0.25 0.56 -0.79 0.54 -1.72 0.00 0.00 179.24 177.57 2qrg n ARG 734 N -4.00 1.46 -4.00 3.56 1.74 -0.96 -4.81 116.66 109.65 2qrg n ARG 734 Ca -0.02 -0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 2qrg n ARG 734 Cb 0.49 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 2qrg n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qrg s ILE 735 N -2.58 2.36 0.27 0.55 1.01 -0.52 -5.00 121.20 117.28 2qrg s ILE 735 Ca 0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 60.65 58.29 2qrg s ILE 735 Cb 0.13 -2.73 0.27 0.00 0.01 0.00 0.00 42.46 40.14 2qrg s ILE 735 CO 0.69 -0.62 1.90 -0.65 0.00 0.00 0.00 174.94 176.26 2qrg h PRO 736 N 7.57 1.19 -0.41 2.79 0.11 -1.87 -1.76 132.00 139.62 2qrg h PRO 736 Ca -0.05 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 2qrg h PRO 736 Cb 1.01 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2qrg h PRO 736 CO 0.54 0.79 0.02 0.93 -0.21 0.00 0.00 178.00 180.06 2qrg h GLU 737 N 1.22 0.64 -0.29 1.05 5.08 -1.95 -2.00 114.58 118.34 2qrg h GLU 737 Ca 0.41 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2qrg h GLU 737 Cb 0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2qrg h GLU 737 CO -0.14 0.65 -0.42 1.25 -1.00 0.00 0.00 179.01 179.35 2qrg h LEU 738 N 0.61 0.87 -0.61 1.33 5.85 -1.79 -3.09 115.31 118.49 2qrg h LEU 738 Ca 0.13 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.39 2qrg h LEU 738 Cb 0.36 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2qrg h LEU 738 CO 0.01 1.21 0.34 -0.09 -0.34 0.00 0.00 178.44 179.57 2qrg h ARG 739 N 0.56 0.61 -0.53 1.25 2.43 -1.10 -2.32 114.38 115.28 2qrg h ARG 739 Ca 0.03 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2qrg h ARG 739 Cb 1.02 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.37 2qrg h ARG 739 CO 0.10 0.41 0.20 0.37 -1.51 0.00 0.00 179.97 179.54 2qrg h GLN 740 N 0.63 0.38 -0.31 0.20 4.15 -1.36 -1.23 115.11 117.57 2qrg h GLN 740 Ca 0.27 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 2qrg h GLN 740 Cb 0.15 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2qrg h GLN 740 CO -0.17 0.25 0.12 0.82 -1.93 0.00 0.00 178.83 177.92 2qrg h ILE 741 N 0.39 1.19 -0.82 2.39 2.04 -1.39 -0.56 117.51 120.75 2qrg h ILE 741 Ca 0.25 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2qrg h ILE 741 Cb 0.27 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2qrg h ILE 741 CO -0.25 0.20 0.38 0.40 0.00 0.00 0.00 178.15 178.88 2qrg h ILE 742 N 0.35 1.26 -0.59 -0.67 1.08 -1.20 -0.38 117.51 117.35 2qrg h ILE 742 Ca 0.10 -0.75 -0.08 0.00 -0.39 0.00 0.00 64.86 63.74 2qrg h ILE 742 Cb 0.20 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 2qrg h ILE 742 CO -0.01 0.32 0.06 -0.33 -0.69 0.00 0.00 178.15 177.50 2qrg h GLU 743 N 1.18 0.99 -0.36 2.37 5.08 -1.05 -0.98 114.58 121.80 2qrg h GLU 743 Ca 0.28 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qrg h GLU 743 Cb 0.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2qrg h GLU 743 CO -0.03 0.94 0.20 1.96 -1.00 0.00 0.00 179.01 181.07 2qrg h GLN 744 N 0.92 0.51 -0.20 2.33 4.20 -0.53 -0.75 115.11 121.60 2qrg h GLN 744 Ca 0.18 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2qrg h GLN 744 Cb 0.46 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2qrg h GLN 744 CO 0.02 0.43 0.11 -0.07 -0.67 0.00 0.00 178.83 178.64 2qrg h LEU 745 N 0.46 0.25 -0.64 1.46 3.38 -0.92 -1.56 115.31 117.74 2qrg h LEU 745 Ca 0.13 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2qrg h LEU 745 Cb 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qrg h LEU 745 CO -0.02 0.27 -0.02 0.28 0.09 0.00 0.00 178.44 179.04 2qrg h SER 746 N 0.21 1.03 1.71 -0.43 0.02 -1.13 -3.21 113.55 111.75 2qrg h SER 746 Ca 0.07 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qrg h SER 746 Cb 0.08 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2qrg h SER 746 CO -0.01 1.09 0.00 0.77 -1.14 0.00 0.00 176.83 177.54 2qrg h SER 747 N 0.95 0.00 0.00 3.07 4.64 -1.13 -3.43 113.55 117.65 2qrg h SER 747 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2qrg h SER 747 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2qrg h SER 747 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2qrg n GLY 748 N 0.92 1.47 0.32 -0.77 0.00 -1.10 -4.88 105.19 101.16 2qrg n GLY 748 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2qrg n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qrg h PHE 749 N 0.00 0.74 -0.36 1.61 3.04 -1.54 -2.47 116.94 117.96 2qrg h PHE 749 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2qrg h PHE 749 Cb 0.00 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.27 2qrg h PHE 749 CO 0.00 0.51 0.00 1.19 -2.02 0.00 0.00 178.31 177.99 2qrg n PHE 750 N -4.41 0.46 -2.95 0.41 3.72 -1.26 -4.59 117.46 108.85 2qrg n PHE 750 Ca 0.05 -0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 57.08 2qrg n PHE 750 Cb 0.09 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 2qrg n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qrg n SER 751 N 1.44 -2.06 -0.15 4.37 3.41 -0.97 -4.79 113.62 114.87 2qrg n SER 751 Ca 0.18 -2.92 -0.03 0.00 -0.26 0.00 0.00 58.87 55.85 2qrg n SER 751 Cb 0.59 0.92 0.17 0.00 -0.26 0.00 0.00 64.21 65.64 2qrg n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qrg h PRO 752 N 4.57 0.88 0.00 4.33 0.11 -1.71 -2.68 132.00 137.50 2qrg h PRO 752 Ca 0.03 -0.18 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 2qrg h PRO 752 Cb 1.00 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2qrg h PRO 752 CO 0.27 0.78 -0.38 0.87 -0.21 0.00 0.00 178.00 179.32 2qrg h LYS 753 N 0.85 0.00 -2.77 1.05 1.57 -1.96 -3.36 116.57 111.95 2qrg h LYS 753 Ca 0.19 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.36 2qrg h LYS 753 Cb 0.29 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.20 2qrg h LYS 753 CO -0.00 0.38 -0.75 1.04 -0.57 0.00 0.00 179.45 179.55 2qrg n GLN 754 N -3.24 1.14 -0.10 3.15 6.02 -1.04 -5.01 117.38 118.30 2qrg n GLN 754 Ca 0.02 -3.93 0.14 0.00 -0.01 0.00 0.00 57.00 53.22 2qrg n GLN 754 Cb 0.66 -2.02 0.53 0.00 1.02 0.00 0.00 30.24 30.42 2qrg n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qrg h PRO 755 N 5.47 0.34 -0.54 -1.09 0.11 -1.65 -1.90 132.00 132.74 2qrg h PRO 755 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qrg h PRO 755 Cb 0.82 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2qrg h PRO 755 CO 0.57 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 2qrg n ASP 756 N -4.46 5.50 -0.32 -2.05 3.85 -1.26 -3.49 116.55 114.32 2qrg n ASP 756 Ca 0.11 -2.94 0.03 0.00 -0.71 0.00 0.00 54.79 51.29 2qrg n ASP 756 Cb 0.46 -0.67 0.22 0.00 -1.35 0.00 0.00 41.12 39.79 2qrg n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qrg h LEU 757 N 3.72 0.94 -3.62 -2.12 5.85 -1.67 -2.66 115.31 115.75 2qrg h LEU 757 Ca 0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2qrg h LEU 757 Cb 1.91 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.69 2qrg h LEU 757 CO 0.46 0.61 0.11 0.49 -0.34 0.00 0.00 178.44 179.76 2qrg n PHE 758 N -4.49 2.15 -0.17 1.25 3.01 -1.26 -4.55 117.46 113.40 2qrg n PHE 758 Ca 0.14 -0.96 0.01 0.00 1.01 0.00 0.00 57.45 57.65 2qrg n PHE 758 Cb 0.19 -0.58 0.28 0.00 -0.01 0.00 0.00 39.48 39.36 2qrg n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2qrg h LYS 759 N 3.23 0.89 -0.74 -1.08 2.10 -1.79 -2.04 116.57 117.13 2qrg h LYS 759 Ca 0.12 -0.06 -0.06 0.00 -2.00 0.00 0.00 60.65 58.65 2qrg h LYS 759 Cb 2.10 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 33.20 2qrg h LYS 759 CO 0.58 0.60 0.24 -0.44 -2.00 0.00 0.00 179.45 178.43 2qrg h ASP 760 N 0.91 1.06 -0.08 7.07 3.32 -1.84 -0.54 116.42 126.32 2qrg h ASP 760 Ca 0.24 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2qrg h ASP 760 Cb -0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 2qrg h ASP 760 CO -0.05 0.98 -0.02 0.40 -1.72 0.00 0.00 179.24 178.83 2qrg h ILE 761 N 1.09 1.29 -0.27 0.35 2.04 -1.76 -1.80 117.51 118.46 2qrg h ILE 761 Ca 0.24 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2qrg h ILE 761 Cb 0.29 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2qrg h ILE 761 CO -0.01 0.26 0.16 0.58 0.00 0.00 0.00 178.15 179.13 2qrg h VAL 762 N -0.18 1.03 -0.66 1.67 2.07 -1.32 -0.97 116.25 117.89 2qrg h VAL 762 Ca 0.02 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2qrg h VAL 762 Cb 0.41 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2qrg h VAL 762 CO 0.01 0.06 0.40 -1.13 0.02 0.00 0.00 177.57 176.93 2qrg h ASN 763 N 0.33 0.65 -0.16 0.57 -1.24 -1.08 -0.11 115.58 114.53 2qrg h ASN 763 Ca 0.11 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2qrg h ASN 763 Cb -0.00 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2qrg h ASN 763 CO -0.05 0.45 0.05 -0.03 -1.29 0.00 0.00 177.43 176.56 2qrg h MET 764 N 0.78 0.25 -0.75 6.67 4.05 -1.11 -0.47 114.93 124.36 2qrg h MET 764 Ca 0.27 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.68 2qrg h MET 764 Cb 0.05 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 2qrg h MET 764 CO -0.12 0.36 0.46 -0.07 0.23 0.00 0.00 176.91 177.77 2qrg h LEU 765 N 0.09 0.73 -0.04 3.39 4.07 -0.83 -0.97 115.31 121.75 2qrg h LEU 765 Ca 0.05 0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.81 2qrg h LEU 765 Cb 0.21 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2qrg h LEU 765 CO -0.00 0.49 -1.01 0.24 -1.08 0.00 0.00 178.44 177.08 2qrg h MET 766 N 0.87 0.05 0.00 1.13 2.86 -0.93 -3.41 114.93 115.49 2qrg h MET 766 Ca 0.31 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2qrg h MET 766 Cb 0.09 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2qrg h MET 766 CO -0.14 1.01 -0.72 0.72 1.06 0.00 0.00 176.91 178.83 2qrg n HIS 767 N -3.42 0.00 -2.79 -0.22 8.25 -0.20 -4.45 115.22 112.40 2qrg n HIS 767 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 2qrg n HIS 767 Cb 0.93 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.08 2qrg n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2qrg n HIS 768 N -1.48 -0.11 -3.00 4.41 -0.00 -0.47 -5.04 115.22 109.53 2qrg n HIS 768 Ca 0.00 -2.79 -0.44 0.00 -0.00 0.00 0.00 57.72 54.49 2qrg n HIS 768 Cb 0.28 0.17 -0.05 0.00 -0.00 0.00 0.00 29.99 30.40 2qrg n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2qrg s ASP 769 N -2.44 6.22 0.40 4.39 2.15 -0.60 -4.85 116.67 121.96 2qrg s ASP 769 Ca 0.28 -0.94 0.29 0.00 0.43 0.00 0.00 52.55 52.61 2qrg s ASP 769 Cb 0.41 -2.36 1.33 0.00 -0.30 0.00 0.00 42.92 42.00 2qrg s ASP 769 CO -0.02 -1.17 1.86 0.03 -0.17 0.00 0.00 175.17 175.71 2qrg h ARG 770 N 9.27 0.00 -0.13 4.34 3.08 -1.97 -3.23 114.38 125.73 2qrg h ARG 770 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2qrg h ARG 770 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2qrg h ARG 770 CO 1.08 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.17 2qrg n PHE 771 N -2.57 0.17 -3.67 3.04 3.72 -1.26 -5.02 117.46 111.87 2qrg n PHE 771 Ca 0.00 -0.47 -0.22 0.00 -0.05 0.00 0.00 57.45 56.71 2qrg n PHE 771 Cb 0.18 -0.04 0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2qrg n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qrg n LYS 772 N -0.08 -5.65 -0.13 -1.08 5.02 -1.22 -4.74 118.16 110.28 2qrg n LYS 772 Ca 0.04 0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 56.98 2qrg n LYS 772 Cb 0.31 -5.44 0.04 0.00 -0.02 0.00 0.00 35.03 29.92 2qrg n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qrg h VAL 773 N -1.98 0.77 -0.40 -0.18 2.07 -1.94 -2.40 116.25 112.18 2qrg h VAL 773 Ca -0.60 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2qrg h VAL 773 Cb 1.36 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2qrg h VAL 773 CO 0.57 0.04 0.15 -0.26 0.02 0.00 0.00 177.57 178.08 2qrg h PHE 774 N 0.20 0.57 0.00 1.57 0.05 -1.91 -2.93 116.94 114.49 2qrg h PHE 774 Ca 0.21 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.95 2qrg h PHE 774 Cb 0.26 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 38.03 2qrg h PHE 774 CO -0.21 0.47 -0.12 0.00 -0.18 0.00 0.00 178.31 178.26 2qrg h ALA 775 N 1.59 1.39 -0.05 2.45 0.00 -1.81 -2.49 119.26 120.34 2qrg h ALA 775 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qrg h ALA 775 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qrg h ALA 775 CO -0.01 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 2qrg n ASP 776 N -3.81 2.62 0.24 0.00 8.00 -1.11 -4.73 116.55 117.75 2qrg n ASP 776 Ca -0.02 -1.79 -0.15 0.00 0.71 0.00 0.00 54.79 53.53 2qrg n ASP 776 Cb 0.23 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 2qrg n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qrg h TYR 777 N 3.67 -0.56 -0.13 1.24 5.03 -1.37 -1.67 116.97 123.18 2qrg h TYR 777 Ca 0.00 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2qrg h TYR 777 Cb 0.79 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 2qrg h TYR 777 CO 0.02 -0.34 0.05 0.93 -1.32 0.00 0.00 178.16 177.50 2qrg h GLU 778 N -0.57 0.11 -0.55 1.82 5.08 -1.85 -1.34 114.58 117.29 2qrg h GLU 778 Ca -0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2qrg h GLU 778 Cb 0.45 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2qrg h GLU 778 CO 0.07 0.07 0.19 0.93 -1.00 0.00 0.00 179.01 179.27 2qrg h GLU 779 N 0.12 0.81 0.09 2.33 5.08 -1.88 -1.84 114.58 119.29 2qrg h GLU 779 Ca 0.05 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2qrg h GLU 779 Cb 0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2qrg h GLU 779 CO -0.05 0.69 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.69 2qrg h TYR 780 N 0.80 -0.11 -0.60 4.33 3.20 -0.98 -0.73 116.97 122.88 2qrg h TYR 780 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2qrg h TYR 780 Cb 0.21 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2qrg h TYR 780 CO 0.01 0.10 0.38 0.28 -1.64 0.00 0.00 178.16 177.29 2qrg h VAL 781 N -0.30 1.16 -0.44 1.81 2.07 -1.15 -0.36 116.25 119.05 2qrg h VAL 781 Ca -0.01 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2qrg h VAL 781 Cb 0.25 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2qrg h VAL 781 CO 0.02 0.16 0.24 0.50 0.02 0.00 0.00 177.57 178.51 2qrg h LYS 782 N 0.81 0.46 -0.72 1.57 1.63 -1.30 -2.09 116.57 116.93 2qrg h LYS 782 Ca 0.22 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2qrg h LYS 782 Cb -0.06 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.43 2qrg h LYS 782 CO -0.04 0.31 0.26 0.00 -3.45 0.00 0.00 179.45 176.52 2qrg h GLN 784 N 1.04 0.19 -0.51 0.00 1.08 -0.73 -1.75 115.11 114.43 2qrg h GLN 784 Ca 0.24 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 2qrg h GLN 784 Cb 0.25 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2qrg h GLN 784 CO -0.01 0.16 -0.10 0.93 -0.95 0.00 0.00 178.83 178.86 2qrg h GLU 785 N 0.20 0.94 -0.16 1.46 5.08 -0.90 -2.35 114.58 118.85 2qrg h GLU 785 Ca 0.05 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2qrg h GLU 785 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2qrg h GLU 785 CO -0.01 0.99 -0.24 0.00 -1.00 0.00 0.00 179.01 178.75 2qrg h ARG 786 N 0.84 0.28 -0.06 2.33 3.08 -1.14 -1.67 114.38 118.04 2qrg h ARG 786 Ca 0.14 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2qrg h ARG 786 Cb 0.63 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2qrg h ARG 786 CO 0.04 0.52 0.03 0.28 -1.07 0.00 0.00 179.97 179.77 2qrg h VAL 787 N 0.26 1.12 -0.85 2.04 2.07 -1.11 -2.47 116.25 117.31 2qrg h VAL 787 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2qrg h VAL 787 Cb 0.57 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2qrg h VAL 787 CO 0.04 0.10 0.43 0.28 0.02 0.00 0.00 177.57 178.45 2qrg h SER 788 N -0.04 1.09 -0.43 0.57 0.02 -1.23 -1.78 113.55 111.75 2qrg h SER 788 Ca 0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2qrg h SER 788 Cb 0.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2qrg h SER 788 CO -0.00 0.90 0.28 0.00 -1.14 0.00 0.00 176.83 176.87 2qrg h ALA 789 N 1.27 0.55 -0.21 3.77 0.00 -1.24 -2.75 119.26 120.64 2qrg h ALA 789 Ca 0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2qrg h ALA 789 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qrg h ALA 789 CO -0.04 0.00 -0.35 1.25 0.00 0.00 0.00 179.25 180.12 2qrg h LEU 790 N 0.58 0.47 -1.77 0.00 5.85 -1.17 -2.94 115.31 116.34 2qrg h LEU 790 Ca 0.16 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2qrg h LEU 790 Cb -0.06 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2qrg h LEU 790 CO -0.03 0.79 -0.16 0.22 -0.34 0.00 0.00 178.44 178.92 2qrg h TYR 791 N 0.39 0.00 0.00 1.25 3.20 -1.09 -1.23 116.97 119.49 2qrg h TYR 791 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2qrg h TYR 791 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2qrg h TYR 791 CO 0.03 0.16 0.00 0.87 -1.64 0.00 0.00 178.16 177.57 2qrg h LYS 792 N 0.00 0.00 -3.23 1.82 1.57 -1.30 -3.34 116.57 112.09 2qrg h LYS 792 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2qrg h LYS 792 Cb 0.38 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.29 2qrg h LYS 792 CO 0.02 0.00 -0.47 1.21 -0.57 0.00 0.00 179.45 179.64 2qrg s ASN 793 N -4.32 4.98 0.30 0.86 3.84 -0.46 -4.99 114.94 115.16 2qrg s ASN 793 Ca 0.01 -3.57 0.06 0.00 0.21 0.00 0.00 52.86 49.57 2qrg s ASN 793 Cb 0.08 -1.71 0.76 0.00 -0.55 0.00 0.00 41.25 39.84 2qrg s ASN 793 CO 0.33 -0.16 1.76 -0.65 -2.79 0.00 0.00 177.10 175.59 2qrg h PRO 794 N 5.88 0.68 -0.28 0.43 0.11 -1.77 -0.93 132.00 136.13 2qrg h PRO 794 Ca 0.09 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 2qrg h PRO 794 Cb 0.81 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2qrg h PRO 794 CO 0.74 0.45 0.09 -0.09 -0.21 0.00 0.00 178.00 178.98 2qrg h ARG 795 N 0.70 0.43 -0.01 1.05 2.43 -1.94 -1.83 114.38 115.21 2qrg h ARG 795 Ca 0.59 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.50 2qrg h ARG 795 Cb 0.97 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2qrg h ARG 795 CO -0.41 0.49 -0.78 0.93 -1.51 0.00 0.00 179.97 178.68 2qrg h GLU 796 N 0.29 0.14 0.05 0.20 4.39 -1.66 -1.57 114.58 116.41 2qrg h GLU 796 Ca 0.09 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2qrg h GLU 796 Cb 0.23 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2qrg h GLU 796 CO -0.00 0.85 -0.13 2.35 -1.16 0.00 0.00 179.01 180.91 2qrg h TRP 797 N 0.09 -0.35 -0.60 4.33 2.91 -1.16 -2.31 115.95 118.86 2qrg h TRP 797 Ca -0.02 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 2qrg h TRP 797 Cb 1.37 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 30.14 2qrg h TRP 797 CO 0.02 -0.20 0.12 1.15 -1.03 0.00 0.00 178.44 178.49 2qrg h THR 798 N -0.25 1.25 -0.70 2.65 2.02 -1.19 -1.04 112.91 115.64 2qrg h THR 798 Ca 0.03 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2qrg h THR 798 Cb 0.28 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2qrg h THR 798 CO -0.10 0.35 0.34 0.03 0.37 0.00 0.00 175.52 176.51 2qrg h ARG 799 N 0.91 1.00 -0.32 6.66 3.08 -1.24 0.28 114.38 124.75 2qrg h ARG 799 Ca 0.19 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 2qrg h ARG 799 Cb 0.37 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2qrg h ARG 799 CO 0.01 0.77 -0.36 1.98 -1.07 0.00 0.00 179.97 181.30 2qrg h MET 800 N 0.99 0.73 -0.31 0.04 4.05 -0.89 -2.38 114.93 117.17 2qrg h MET 800 Ca 0.24 -0.36 0.03 0.00 -0.28 0.00 0.00 59.70 59.33 2qrg h MET 800 Cb 0.10 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2qrg h MET 800 CO -0.03 0.97 0.13 0.28 0.23 0.00 0.00 176.91 178.49 2qrg h VAL 801 N 0.61 0.95 -0.84 -5.77 2.07 -0.61 -2.11 116.25 110.56 2qrg h VAL 801 Ca 0.06 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2qrg h VAL 801 Cb 0.89 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2qrg h VAL 801 CO 0.08 0.05 0.55 0.40 0.02 0.00 0.00 177.57 178.67 2qrg h ILE 802 N 0.28 1.16 0.00 4.57 2.04 -0.77 -0.57 117.51 124.22 2qrg h ILE 802 Ca 0.13 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2qrg h ILE 802 Cb 0.07 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2qrg h ILE 802 CO -0.11 0.19 -0.28 0.03 0.00 0.00 0.00 178.15 177.98 2qrg h ARG 803 N 1.06 0.00 0.10 2.37 3.08 -1.04 -1.13 114.38 118.82 2qrg h ARG 803 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 2qrg h ARG 803 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2qrg h ARG 803 CO -0.09 0.28 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.13 2qrg h ASN 804 N 0.00 -0.11 -0.73 7.04 2.35 -0.49 -3.21 115.58 120.42 2qrg h ASN 804 Ca -0.00 -0.47 0.09 0.00 -0.55 0.00 0.00 56.30 55.37 2qrg h ASN 804 Cb 0.56 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.89 2qrg h ASN 804 CO 0.04 0.51 0.37 0.40 -1.65 0.00 0.00 177.43 177.10 2qrg h ILE 805 N -0.85 0.85 0.00 2.81 2.04 -1.14 -2.17 117.51 119.05 2qrg h ILE 805 Ca -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2qrg h ILE 805 Cb 0.57 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2qrg h ILE 805 CO 0.02 0.12 -0.10 0.00 0.00 0.00 0.00 178.15 178.19 2qrg h ALA 806 N 1.44 1.29 -0.32 1.87 0.00 -1.32 -2.75 119.26 119.46 2qrg h ALA 806 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qrg h ALA 806 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qrg h ALA 806 CO -0.27 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.36 2qrg n THR 807 N -3.62 1.72 1.27 0.00 -2.24 -0.85 -2.28 114.28 108.28 2qrg n THR 807 Ca -0.02 -1.47 0.14 0.00 -2.27 0.00 0.00 64.05 60.43 2qrg n THR 807 Cb 0.22 0.09 0.57 0.00 -2.10 0.00 0.00 70.33 69.11 2qrg n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qrg n SER 808 N 0.01 0.36 -0.34 3.42 3.41 -1.03 -4.37 113.62 115.07 2qrg n SER 808 Ca 0.17 -0.29 0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2qrg n SER 808 Cb 0.70 -0.12 0.33 0.00 -0.26 0.00 0.00 64.21 64.85 2qrg n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qrg h GLY 809 N 4.98 1.77 1.72 5.00 0.00 -1.80 -1.50 103.07 113.25 2qrg h GLY 809 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2qrg h GLY 809 CO 0.00 -0.13 0.12 1.70 0.00 0.00 0.00 176.54 178.23 2qrg h LYS 810 N 0.68 0.00 -0.62 4.80 3.64 -1.89 -2.67 116.57 120.51 2qrg h LYS 810 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2qrg h LYS 810 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2qrg h LYS 810 CO -0.42 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.95 2qrg n PHE 811 N -3.56 1.12 -2.34 1.91 3.01 -0.56 -4.74 117.46 112.30 2qrg n PHE 811 Ca -0.01 -0.46 -0.41 0.00 1.01 0.00 0.00 57.45 57.58 2qrg n PHE 811 Cb 0.21 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 2qrg n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qrg s SER 812 N -0.83 7.04 0.33 4.37 0.15 -1.01 -0.75 113.70 123.00 2qrg s SER 812 Ca 0.40 2.25 0.24 0.00 0.70 0.00 0.00 55.95 59.54 2qrg s SER 812 Cb 0.25 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 63.13 2qrg s SER 812 CO 0.20 -0.42 1.74 0.77 1.20 0.00 0.00 173.24 176.73 2qrg h SER 813 N 5.43 0.00 -0.82 5.45 4.64 -1.22 -1.70 113.55 125.34 2qrg h SER 813 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 2qrg h SER 813 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2qrg h SER 813 CO 0.76 0.00 0.37 0.44 -0.87 0.00 0.00 176.83 177.53 2qrg h ASP 814 N 0.00 1.09 -0.08 4.97 3.32 -1.92 0.07 116.42 123.87 2qrg h ASP 814 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2qrg h ASP 814 Cb 0.17 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2qrg h ASP 814 CO 0.00 0.93 0.01 -0.09 -1.72 0.00 0.00 179.24 178.37 2qrg h ARG 815 N 1.17 0.13 -0.22 3.56 1.12 -1.62 -1.84 114.38 116.67 2qrg h ARG 815 Ca 0.28 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.17 2qrg h ARG 815 Cb 0.15 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.04 2qrg h ARG 815 CO -0.03 0.33 -0.10 1.15 -3.11 0.00 0.00 179.97 178.22 2qrg h THR 816 N -0.10 0.69 -0.50 0.20 2.02 -1.42 -2.29 112.91 111.51 2qrg h THR 816 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 2qrg h THR 816 Cb 0.27 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2qrg h THR 816 CO 0.00 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 176.19 2qrg h ILE 817 N -0.06 1.26 -0.74 3.11 1.08 -0.99 -1.80 117.51 119.37 2qrg h ILE 817 Ca 0.12 -1.22 0.06 0.00 -0.39 0.00 0.00 64.86 63.42 2qrg h ILE 817 Cb 0.24 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 2qrg h ILE 817 CO -0.26 0.43 0.49 0.00 -0.69 0.00 0.00 178.15 178.11 2qrg h ALA 818 N 1.04 1.66 -0.17 1.87 0.00 -1.13 0.11 119.26 122.64 2qrg h ALA 818 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2qrg h ALA 818 Cb 0.64 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qrg h ALA 818 CO 0.04 0.23 -0.27 1.96 0.00 0.00 0.00 179.25 181.22 2qrg h GLN 819 N 0.81 0.48 -0.46 0.00 4.20 -0.89 -1.73 115.11 117.52 2qrg h GLN 819 Ca 0.32 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2qrg h GLN 819 Cb 0.21 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2qrg h GLN 819 CO -0.10 0.88 0.17 1.88 -0.67 0.00 0.00 178.83 180.99 2qrg h TYR 820 N 0.11 0.30 -0.10 2.96 0.05 -1.04 0.13 116.97 119.39 2qrg h TYR 820 Ca 0.01 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.84 2qrg h TYR 820 Cb 0.84 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 2qrg h TYR 820 CO 0.09 0.11 -0.03 0.00 -1.05 0.00 0.00 178.16 177.29 2qrg h ALA 821 N 1.30 0.06 0.14 3.88 0.00 -0.71 -0.20 119.26 123.73 2qrg h ALA 821 Ca 0.22 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 2qrg h ALA 821 Cb 0.21 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qrg h ALA 821 CO -0.21 -0.49 -1.25 0.00 0.00 0.00 0.00 179.25 177.29 2qrg h ARG 822 N -0.00 0.37 0.00 0.00 3.08 -1.23 0.11 114.38 116.71 2qrg h ARG 822 Ca 0.05 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2qrg h ARG 822 Cb 0.07 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2qrg h ARG 822 CO -0.10 1.26 -1.85 0.39 -1.07 0.00 0.00 179.97 178.60 2qrg n GLU 823 N -3.62 0.62 0.01 0.04 1.02 0.03 -4.33 120.64 114.40 2qrg n GLU 823 Ca -0.10 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2qrg n GLU 823 Cb 1.01 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 2qrg n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2qrg n ILE 824 N -2.25 0.21 0.16 -3.67 5.41 -0.31 -4.86 119.36 114.04 2qrg n ILE 824 Ca -0.03 0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.86 2qrg n ILE 824 Cb 0.55 -1.49 0.07 0.00 -0.71 0.00 0.00 39.64 38.06 2qrg n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qrg h TRP 825 N 0.00 0.00 -3.29 1.39 6.55 -1.10 -3.48 115.95 116.03 2qrg h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 2qrg h TRP 825 Cb 0.81 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.18 2qrg h TRP 825 CO 0.00 0.26 -0.32 0.41 -1.05 0.00 0.00 178.44 177.74 2qrg n GLY 826 N 1.19 0.24 3.17 1.49 0.00 0.19 -4.95 105.19 106.52 2qrg n GLY 826 Ca 0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 2qrg n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qrg s VAL 827 N -3.15 1.03 -0.24 1.61 -7.23 -0.11 -5.02 120.40 107.30 2qrg s VAL 827 Ca 0.24 -1.46 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2qrg s VAL 827 Cb -0.11 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2qrg s VAL 827 CO 0.34 -0.39 0.13 -1.61 -0.31 0.00 0.00 175.10 173.25 2qrg s GLU 828 N -2.24 3.95 0.78 4.82 0.41 -1.26 -3.48 118.70 121.67 2qrg s GLU 828 Ca 0.01 -0.33 -0.13 0.00 -0.41 0.00 0.00 54.97 54.11 2qrg s GLU 828 Cb -0.07 -3.45 0.07 0.00 -1.78 0.00 0.00 34.13 28.90 2qrg s GLU 828 CO 0.01 0.02 1.17 -1.25 -0.49 0.00 0.00 175.26 174.72 2qrg s PRO 829 N 1.13 1.92 -0.07 0.39 0.04 -1.26 -4.95 135.00 132.21 2qrg s PRO 829 Ca 0.06 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 2qrg s PRO 829 Cb -0.14 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2qrg s PRO 829 CO 0.05 -1.96 0.15 0.45 0.04 0.00 0.00 177.00 175.73 2qrg s SER 830 N -2.43 -0.13 0.00 6.66 0.15 0.51 -5.02 113.70 113.44 2qrg s SER 830 Ca 0.70 0.31 0.20 0.00 0.70 0.00 0.00 55.95 57.87 2qrg s SER 830 Cb -0.25 0.22 0.57 0.00 -1.71 0.00 0.00 66.02 64.85 2qrg s SER 830 CO 0.50 -0.13 1.48 0.54 1.20 0.00 0.00 173.24 176.82 2qrg n ARG 831 N 4.00 2.50 -2.35 5.44 5.12 -1.26 -3.20 116.66 126.90 2qrg n ARG 831 Ca -0.24 -2.32 -0.41 0.00 -1.93 0.00 0.00 57.85 52.95 2qrg n ARG 831 Cb 0.53 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 2qrg n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qrg s GLN 832 N -1.18 4.47 0.39 5.56 -0.21 -1.26 -5.01 119.66 122.43 2qrg s GLN 832 Ca 0.43 1.89 -0.26 0.00 0.02 0.00 0.00 55.36 57.45 2qrg s GLN 832 Cb 0.23 -3.24 -0.09 0.00 1.00 0.00 0.00 33.01 30.91 2qrg s GLN 832 CO 0.30 -0.14 1.21 1.03 -2.12 0.00 0.00 175.29 175.58 2qrg s ARG 833 N -0.06 4.07 0.31 2.91 3.00 -1.26 -4.96 118.95 122.96 2qrg s ARG 833 Ca 0.54 1.95 -0.14 0.00 0.00 0.00 0.00 55.73 58.08 2qrg s ARG 833 Cb -0.33 -2.75 -0.09 0.00 0.00 0.00 0.00 34.95 31.78 2qrg s ARG 833 CO 0.36 -0.34 0.71 -0.51 0.00 0.00 0.00 175.30 175.52 2qrg s LEU 834 N -2.38 4.08 0.32 2.53 1.43 -0.45 -5.04 118.68 119.16 2qrg s LEU 834 Ca 0.56 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.59 2qrg s LEU 834 Cb -0.33 -4.01 -0.12 0.00 0.03 0.00 0.00 46.19 41.75 2qrg s LEU 834 CO 0.43 -0.18 1.47 -0.81 0.23 0.00 0.00 176.35 177.48 2qrg n PRO 835 N -0.33 2.45 0.00 1.29 -0.04 -1.26 -4.60 135.00 132.52 2qrg n PRO 835 Ca 0.03 0.87 0.11 0.00 -0.04 0.00 0.00 63.50 64.47 2qrg n PRO 835 Cb 0.53 -2.57 0.65 0.00 -0.04 0.00 0.00 33.50 32.07 2qrg n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46